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[
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... | 64 | 1 | 3 | [
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PO_8189442034108185914729702 | 8189442034108185914729702001169891888128162077666145797790345689359488451960756012327451652255090855143457850899042765609421886764166090990297516856889630 | 2025-04-16T21:22:14 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -327.402666 | [
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[
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[
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... | [
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... | 64 | 1 | 3 | [
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"Si_md_111"
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PO_8191611166082868029474652 | 819161116608286802947465266168552570857732442312342350630439499091536502930886228798856723067243955208860675863948589640321370104895812241636437242871229 | 2025-04-16T18:34:51 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -78.378272 | [
[
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[
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PO_8215592025708569669633111 | 8215592025708569669633111801014143719910653886066779954701658736907835975915790309567860195544523716459256466569096809830385394288344398968644142806469697 | 2025-04-16T21:27:46 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -235.860699 | [
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[
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[
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2.99190053,... | [
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... | 64 | 1 | 3 | [
1,
1,
1
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"Si_md_91"
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PO_8205615368706071322880086 | 8205615368706071322880086430029718798464193965822915317999245311244503044620402387461498667439803957785163337541951374031673382142727320193829599125545121 | 2025-04-16T17:42:15 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -271.576786 | [
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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 | [
"Si"
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1
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... | 64 | 1 | 3 | [
1,
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"Si_md_678"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7604/MD_5126460913012295504487604.json | null | {"kinetic-energy": 1.061363, "temperature": 130.33, "hash": "5126460913012295504487604818503585919283649900186868776513435985321846378450792260291588864503017517931028696752936266390663368746572989340495308227128750", "id": "MD_5126460913012295504487604"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_8208586240908706673533831 | 8208586240908706673533831211652762121137848332071837815366449951508383965383747869434700732607879113365681170100461432387906849205534169239693282249703194 | 2025-04-16T20:46:51 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.832904 | [
[
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[
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[
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[
2.6480... | [] | null | null | null | null | null | null | 5.507462 | 1.484047 | null | CO_3308709289532030759312063 | 3308709289532030759312063040572949803736433342118558528416595603646431142889548193845154836095657658538695723724176431143701155317719385920539260020700891 | 8596116199178656855333175864883300149991983510566449367320484665797300733206992596244920492061459016769465071504626347324355588334377699083559573427383466 | [
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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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1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_980"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1847/MD_1694958348801080786851847.json | null | {"kinetic-energy": 18.47202, "temperature": 2268.33, "hash": "1694958348801080786851847727571522434462637935891534837865017441400356301459697450581835225768602259144000114351741885749274389331833382684091533831621228", "id": "MD_1694958348801080786851847"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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