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[
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[
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[
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[
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[
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PO_1319132015256420864154249 | 13191320152564208641542499814390804828943308721474885891250255954761499072959632721140844590385288564656238325266924729395326682969579212802880148355415604 | 2025-04-16T18:03:25 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.811604 | [
[
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[
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[
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[
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[
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1.6... | [
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... | 64 | 1 | 3 | [
1,
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/0026/MD_1206799052969332093770026.json | null | {"kinetic-energy": 15.463879, "temperature": 1898.94, "hash": "12067990529693320937700267330728763196598738646887718628227759478195966536607201153681976882143472802134356156560442390088937772606015148350585284968673553", "id": "MD_1206799052969332093770026"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1320232612509066793990469 | 13202326125090667939904690346535739339144972453924482494801737035781499607730867604877614939672877610901257465242895059629894983061059284889905396759943466 | 2025-04-16T20:04:36 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.828301 | [
[
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[
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[
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[
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7.75... | [
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... | 64 | 1 | 3 | [
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PO_1320683669416129200311334 | 13206836694161292003113342405509685475011892413119233325817589264805929157895917697150190996576035818209140111287628671453560206522742929031538577150508004 | 2025-04-16T18:26:42 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -310.132317 | [
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[
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[
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[
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3.... | [
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... | 64 | 1 | 3 | [
1,
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7629/MD_5766240363009590189077629.json | null | {"kinetic-energy": 2.373973, "temperature": 291.52, "hash": "5766240363009590189077629627952793799715799083890700028862355507418620381880581714374514912460602548418182882514712512142352681647092179334987511365914657", "id": "MD_5766240363009590189077629"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1321152758985564056126665 | 13211527589855640561266652388616501563991959966873864541977863563635271971817699137116167605008454824907033352756611414207175141572233397652217254205264563 | 2025-04-16T21:56:50 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -15.538802 | [
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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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-4.7585677... | [
true,
true,
true
] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/3884/MD_1225553617519721826933884.json | null | {"kinetic-energy": 6.242789, "temperature": 766.6, "hash": "12255536175197218269338841549119670555447297757768976303480007217667084224269331756315941126882801587382024094597722466747951380792029968781425586128009356", "id": "MD_1225553617519721826933884"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1321038328383775757862317 | 13210383283837757578623177051754297597359402821093590224043865797216518155550884165579009068232830339499194912421038599249383744451950853786014475629230403 | 2025-04-16T18:10:37 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.78788 | [
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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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[
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[
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... | [
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true,
true
] | Si64 | Si | A | [
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1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_693"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/3444/MD_6166789016786699986023444.json | null | {"temperature": 1696.07, "hash": "6166789016786699986023444433721352318195114731960270566839771933991646832046253718928966114115184773477958894268709359264828149035659124539276255873516303", "id": "MD_6166789016786699986023444"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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