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[
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PO_1138413807917558007291010 | 11384138079175580072910101317384409244970871963495411890237949867817062842679606853840531970424745456815346405513584467598804722985192303570121854246466615 | 2025-04-16T16:33:14 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -458.132333 | [
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PO_5931018577138368701893271 | 5931018577138368701893271051313610803144777679047093546243321457816623706287199474871333868337627106207460592412575497684502999915450137831977470789676370 | 2025-04-16T20:38:42 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -457.086699 | [
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PO_5940097829641412798790125 | 5940097829641412798790125943385255686561828376216570995362836912868485277609018277892551551030336296832879095643684680387406476024636012220038957376063602 | 2025-04-16T18:55:36 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -458.288453 | [
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[
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[
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9... | [
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PO_1142042206849897063654694 | 11420422068498970636546944628876562055655076215213329412041740714893554896229743539726126533958705613864013848689413628752196413803085579657402596602687570 | 2025-04-16T21:38:17 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -457.197348 | [
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[
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[
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[
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[
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[
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-... | [
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true,
true
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8... | 60 | 2 | 0 | [
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"SIMPLE_NN_SiO2_6415"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_1142083707671067096968136 | 11420837076710670969681369465050698460622152396148656869358093890590920867287960305261605327411355133918157791626229072468023812227738783520023799184024251 | 2025-04-16T18:54:05 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -456.546788 | [
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[
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[
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[
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[
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1.550663
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[
3.224202,
3.991476,
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],
[
-2.4... | [] | null | null | null | null | null | null | 6.582898 | 2.947937 | null | CO_2658234329813801323709866 | 2658234329813801323709866395808430012153673409846573383615372862526254610205329504599478063275715524716039318716005958411989842720103988682232271045062426 | 4592597534967504662400524879811627931490548281660581516913764852302641680251415802027954500368428896168201184661673794216866920986846672536578085589796307 | [
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[
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[
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[
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8.... | [
true,
true,
true
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0.6666666666666666,
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8... | 60 | 2 | 0 | [
0,
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"SIMPLE_NN_SiO2_9313"
] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_1142074207694398712427289 | 11420742076943987124272895949728407790404319844243670558190963267319244462091479429427247157245001581730918108788520689624343152984561846248205721485062749 | 2025-04-17T18:48:22 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -457.678533 | [
[
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[
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[
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[
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[
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[
0.308379,
1.956562,
3.975286
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[
-1.2513... | [] | null | null | null | null | null | null | 6.698053 | 2.921036 | null | CO_1310580975240225159357352 | 1310580975240225159357352583457042601394514829457205226593246848810156867202259449910851132698864023074928510494571843392138999425847886955914957884585599 | 8779053781144339171593196271369578326015508089286083312081366317461719430967442498399479613246409429660628544188947395612670471018241357843434816026597404 | [
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[
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[
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[
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[
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[
8.80158,
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9.04... | [
true,
true,
true
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