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PO_5962192557908726968490415 | 596219255790872696849041586686197258635708799672732711171665611447703785145359041163816585782337803679323218594161959544416383581850464554746338049656817 | 2025-04-16T18:45:06 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.826057 | [
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PO_5942413166254145912170297 | 5942413166254145912170297506906578055447940040585825383569064554268226553773826123833316930020950046246291260660454609188048632860717070735441170351598069 | 2025-04-16T20:28:32 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.812693 | [
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PO_5947293615011445227068988 | 5947293615011445227068988574768186522544952985003497914985681455889165494204591373723940388559333287868060714237229161325213814559890972291840323771229823 | 2025-04-16T17:35:02 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -281.347968 | [
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PO_1157340476451746140960104 | 11573404764517461409601048748792962607621834171868543692803598992047886026329066859376544620002126259041509931090760688785043618170434250459764279693058306 | 2025-04-16T21:57:13 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -308.956309 | [
[
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[
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[
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1.3902869,... | [
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PO_6107814972221994866068017 | 6107814972221994866068017335351956726021434016947186490651613956580420819492538470792299698507847510422841587122885153318171865310979073726872242881757475 | 2025-04-16T21:13:40 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -335.661806 | [
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[
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[
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[
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PO_6115679750091227924787953 | 6115679750091227924787953404908027273849639488940604783887258947544009184863239491877551465024113277482220955843634539251713732985550121254332604957784985 | 2025-04-16T21:28:46 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -126.53751 | [
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[
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[
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... | 64 | 1 | 3 | [
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"Si_md_472"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/4768/MD_1483278969192014244334768.json | null | {"kinetic-energy": 0.320502, "temperature": 39.36, "hash": "1483278969192014244334768877955687466275936799329045399425992918236777512353604752246891994689590466380328395171688919880546718604655286300757222705862692", "id": "MD_1483278969192014244334768"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_6115525371643846232320202 | 6115525371643846232320202959458696895065375340221597532968002329593210961824906249693456382088964796702590400452074561854801867528660705804816768437919853 | 2025-04-16T16:25:53 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -319.696747 | [
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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,
true
] | Si64 | Si | A | [
"Si"
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... | 64 | 1 | 3 | [
1,
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7234/MD_2900216782219796640187234.json | null | {"kinetic-energy": 1.423682, "temperature": 174.83, "hash": "2900216782219796640187234157207008345904053311055890377912591397726991656044878557957385495110113376462069417968087426261845571429172667469541141291715606", "id": "MD_2900216782219796640187234"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1160135665328903996892343 | 11601356653289039968923430260366697360606465415397889696128056056753001423334875370849779660192385929524383693825005079577020209759033798817877806221317356 | 2025-04-16T17:33:30 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.820616 | [
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[
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[
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[
1.378168,
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[
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[
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[
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[
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[
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[
2.07063294,
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... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
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1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_717"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/2867/MD_5990171939309147802772867.json | null | {"temperature": 2311.52, "hash": "5990171939309147802772867670708907973784128490934056807764931089425789336685835524157425387192986893267374296998559186952425882736504793378177023059460511", "id": "MD_5990171939309147802772867"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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