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PO_1002787420438051873371447 | 10027874204380518733714477232553944276061539674312105896689688664627550736608211814090531523739960152560520593041358558188431974069335193629909250564949477 | 2025-04-16T21:27:46 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -38.484333 | [
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PO_1002826165353496808707493 | 10028261653534968087074932401290230392214842953031544439687450052070021260356122709019359983371390679705537799055319821558795029271652398087795817796938854 | 2025-04-16T17:32:46 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -54.525623 | [
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PO_1003909544451748081961155 | 10039095444517480819611559297586016858773582000198671305652403745417639416616849328358984771928465996675741326974204073832970806390434270868013071276335781 | 2025-04-16T19:57:19 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -51.567299 | [
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PO_1006361190184055793516747 | 10063611901840557935167479475336078144436245099184287056670228280474285045188283132617178731944889860174641369906839206939763670054156988315677766142500976 | 2025-04-16T15:43:52 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -48.848404 | [
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[... | [
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PO_1006278865919891459953681 | 10062788659198914599536815190613012413195151547446782273180976874109065324062504753323569159145815468478244016359473777505089938830535582009387429849820460 | 2025-04-16T16:45:12 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -59.165859 | [
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0.289433... | [] | null | null | null | null | null | null | 0.523112 | 0.357469 | null | CO_1318972790564405194824248 | 13189727905644051948242481659447014963470983405377165504490169501415090054605740294317973817281079259496873888408204149758661534641025387294933312393414496 | 176919615954495357782842131940636925222062162625230936084634023414721087201201647172541168486554190615147889733545727397837046038774001388886547495422700 | [
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[... | [
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PO_1006345975743947634216366 | 1006345975743947634216366357385856242116629807646241600862394344673692105804634131782348370383198551428236544296809528962965007291095606847025325975444368 | 2025-04-17T18:26:41 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -58.170433 | [
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[
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PO_1006266177047815521819279 | 10062661770478155218192799096667933537907875347708014185832965811073494318143097967130072479372566688938915944814756370790688894529042096579935282379947756 | 2025-04-16T20:09:34 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -38.659122 | [
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... | [
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true,
true
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1
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
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PO_1006245835026028660857781 | 10062458350260286608577811623952627675818503684076050102620384685816438871066577669292354246304491966911335843909591825457261458433612874537447808659899250 | 2025-04-16T20:40:07 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -58.87801 | [
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[
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0.0056199999526143... | [
true,
true,
true
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1
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29,
29,
29,
29,
29,
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29
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PO_1006428904117884089859063 | 10064289041178840898590635660045355506488337238096911830248338278817624859403314559533429298113789116652923923079897017649210545382688562083040428515482946 | 2025-04-16T21:09:01 | DS_101uk70asqhq_0 | 1 | VASP | DFT-PBE | -55.117916 | [
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[
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] | true | null | null | null | null | null | 4.101252 | 1.36015 | null | CO_1192310227849766553519105 | 11923102278497665535191052196246877113536872146299569227144928976813614393708741839713790765373319975105122311091407098777093867943953012602289036912639370 | 2900486624397013756230520634531937846559530679653028325709159773673796486097855866618330958991411145821619845869196616325634897109647669325152639973840892 | [
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[
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true,
true
] | Cu16 | Cu | A | [
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1
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
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] | 16 | 1 | 0 | [
0,
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0
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"data.008_set.000_9"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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