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PO_1000704673777396028364045 | 10007046737773960283640450909258773740612616172440793868504113787337803882612408376717327265971915798119584308476151721851345508044759174377521336178343797 | 2025-04-16T21:21:56 | DS_0x8ozlt9g3y5_0 | 1 | ADF | DFT-revPBE | -163.923981 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1073942701904513002176991 | 10739427019045130021769916437720653791711571756370450109156266395593118843652830268934227486122628418323303489869845211260585542183498190386787830877420978 | 3432404035610636171691618985198550973407637066060443526478184725347657889005130155795504369692181962783208682525018034459051797835137239600164344012293476 | [
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[
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false,
false,
false
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"C",
"H",
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"Si"
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0.3793103448275862,
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PO_1000754569632255659154803 | 10007545696322556591548038580938684032360408114182798484876505428310376843664596212177377572174074555845321411287154980325920633269281561181338426357881638 | 2025-04-16T17:16:57 | DS_0x8ozlt9g3y5_0 | 1 | ADF | DFT-revPBE | -112.922605 | [] | [] | null | null | null | null | null | null | null | null | null | CO_6368361562429331483939792 | 6368361562429331483939792828900871819414952560148872736181899735933646410855694059100667826764049016963599464565327041070334045545387991844110680531163932 | 12782782157322244843958398517285809041226839366411718617118008749087410743125787887303306242332717807907276237680304015639805862510004743547810251326874154 | [
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[
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false,
false,
false
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"C",
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"O",
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0.2,
0.45,
0.15,
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1,
1,
1,
1,
1,
1,
1,
1,
1
] | 20 | 5 | 0 | [
0,
0,
0
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"151152344"
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PO_1000827643824974123157755 | 10008276438249741231577556522682209444588146746386163344764391484547917080749669384079093267559935545694555661721448611923440588503287503412219305185439603 | 2025-04-16T20:57:06 | DS_0x8ozlt9g3y5_0 | 1 | ADF | DFT-revPBE | -160.082833 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1611512049102746269732273 | 1611512049102746269732273567889207301167135486939473548974594908949376085620428748721365411332813792144454601381259930407311321546670156127895883717136762 | 9134758971786430854519723081435286852733831036865162793577770773279243324186182598539992443385538167051131868117665731366682769729921661668083274028424981 | [
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[
0.9647563030528649,
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[
1.2825185272345891,
1.48634632770651,
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[
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[
1.2672763832607226,
-1.146235628656117,
1.1645200689268431... | [
false,
false,
false
] | C8H18O3Si | C8H18O3Si | A18B8C3D | [
"C",
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1,
1,
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1,
1
] | 30 | 4 | 0 | [
0,
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"87283043"
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