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PO_1003147619314580470452782 | 10031476193145804704527820873082693409091214067762891820282403928441666090084927121970484287778754058318423761058519257693693581681789510765920229579369900 | 2025-04-16T18:47:34 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -7,223.04293 | [
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PO_4915293043402898156336263 | 4915293043402898156336263182256282499871272144253238506160035302496117668388162593762755194176217966883887022404326296864349725611367120236658386809107845 | 2025-04-16T18:29:07 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -2,167.151037 | [
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PO_4915788989107089749707625 | 4915788989107089749707625529227919945226522927216275147351079858224152157902558877691021332367617271575236947740877575263488391004452103168709659126139471 | 2025-04-16T20:26:39 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -10,471.467558 | [
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PO_4916688526067146174841529 | 4916688526067146174841529069569502442284854291372090412165123996858335049166584780376107183314938327810170821185364998954292692992276974966752131075628595 | 2025-04-16T21:38:17 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -5,172.44317 | [
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PO_4935063474904468554769512 | 4935063474904468554769512190037398192798122074729513968443119425660919192837011249244569473707147129553166895335025656323581909153578994333289196694947927 | 2025-04-16T17:06:25 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -3,147.742792 | [
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PO_4935824883018871526898255 | 4935824883018871526898255186652920600398428869325455956588301091802051636231038970710232045436616418017956726899347072785260221315202620494517505387651090 | 2025-04-16T21:12:08 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -4,310.53115 | [
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PO_1003361413695509593547542 | 10033614136955095935475421560363536425177204177930330774002673151076441526747689457313236296442250699118613356375205174256336391045378606606067761638927898 | 2025-04-16T21:30:02 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -5,203.10126 | [
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6
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[
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[
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0.4666666666666667,
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"COLL_test_7831"
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PO_4959290180298123113994500 | 4959290180298123113994500728726088090417384769776568953077240433803584392662831522868797712311702410468589470563500224484892877870783117452631070602760490 | 2025-04-16T16:07:10 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -6,242.93176 | [
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[
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false,
false
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PO_4968556756696318177647496 | 4968556756696318177647496562023848750216417129123540422230380278678043754427543103606245524727776189745969391436610462009034970830246880740056011954288580 | 2025-04-16T21:21:56 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -4,252.089741 | [
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... | [] | null | null | null | null | null | -38.168584 | 4.644451 | 1.574517 | null | CO_5661400875380376738045773 | 5661400875380376738045773656921766168558900189833744766901108697228520846546793970011963254757316759743141033558133385388492037918104872536106911834246382 | 8598149941434927212541286093712194744796363452475323358362689347203436954713127954409772566188543299083441735250401919184089033267621705880240811171294486 | [
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[
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0.791395... | [
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false,
false
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PO_4965103394109924615647309 | 4965103394109924615647309384589119544003356403823360535419894418777648280450677891853321494700370574956027280685882225620540566422718776180036746926378749 | 2025-04-16T21:13:01 | DS_anwiyxoek66t_0 | 1 | ORCA | DFT-revPBE+D3 | -9,403.232512 | [
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[
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[
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0.860722... | [
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false
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