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PO_8285708928958952783751571 | 8285708928958952783751571365810376625654964211491997370755148032650703599771415582880631797729334805411806653503961116698603608304380983729115430490242714 | 2025-04-16T16:55:24 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -456.417901 | [
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PO_8272044272623212415349370 | 8272044272623212415349370782371249863644003013590678272421914324205157590669880793972210817107226584889854060861412994424320697600655931951925613531362907 | 2025-04-16T17:26:14 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -455.430584 | [
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[
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PO_8290642155210417727803920 | 8290642155210417727803920284577660281191764839572684852615689513616175537157197945653825817978682823778526749738823010267827015511535221542547062113729136 | 2025-04-16T19:56:48 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -457.129356 | [
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PO_8304355991321737926726011 | 8304355991321737926726011752203292664988994634961318305922112112902499635515358088876333129736752121987820358227574199800619728971144800338596546557415921 | 2025-04-17T18:37:27 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -456.811309 | [
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[
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[
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PO_8305508002193879984687387 | 8305508002193879984687387407501573664177490906409766274238700593334824348239383289830734623893918340883758453674170897634641896430783861209209059896461593 | 2025-04-16T21:37:22 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -457.674418 | [
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[
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[
1... | [] | null | null | null | null | null | null | 8.734605 | 2.76873 | null | CO_2545252933082338595930673 | 2545252933082338595930673372651191476182247402151197590890639826018887857469623083491970304137056203353250102848388739629778911636080286102483981723181927 | 13089640239013869778870984097995739770409404792096077860834249697687819892279692843418786006460189139541426757710456428797032505027346669468651326970312787 | [
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[
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4.86785,
8.83095... | [
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true
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8... | 60 | 2 | 0 | [
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] | null | data/MD/5165/MD_7964639482890510039065165.json | null | null | null | {"input": {"encut": {"value": 500, "units": "eV"}}, "hash": "7964639482890510039065165051658847026093934348828101062120947938162970662739496050937512370254508847409185916777813992712077345296435453266837166248028598", "id": "MD_7964639482890510039065165"} |
PO_8305080724529255208555661 | 8305080724529255208555661312715986563589646768062316096725544900020348013955330209411582170382380172193106487250445939029851319275683090223659288310190195 | 2025-04-16T17:08:25 | DS_w2ngtxl0ep5d_0 | 1 | VASP | DFT-PBE | -456.683948 | [
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[
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1.040659
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[
... | [] | null | null | null | null | null | null | 8.826739 | 3.103874 | null | CO_1316861873653399068529029 | 13168618736533990685290295643758498190690217207126989534032046906932722359807390910325711658365605698224973550626463575280088724756348726963509486916444264 | 3091508227385551674785561193302776296708029124781481801297921931544719483803532244620187009781396543199798117267763037763295988759388170627640917076205094 | [
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[
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[
9.0002,
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8.7... | [
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true,
true
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