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[
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73
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73
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1
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73,
73
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1,
1
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PO_4526241153988475275168323 | 452624115398847527516832336647014124377797717153769736156040372903453857814695695661338153249659756230672902549855715001007651184593709418991054128138289 | 2025-04-16T18:52:56 | DS_r6c6gt2s98xm_0 | 1 | VASP | DFT-PBE | -266.962393 | [] | [] | null | null | null | null | null | null | null | null | null | CO_2090048365228751524721639 | 2090048365228751524721639644179242355820867751568304702977838351031814946048111741369887792585679180403908223817608750250537428588989307435701918967994297 | 358936547190460641531546959998999681829199942775753089866089113124099258552857539267392461332844135550770551822015199706870040635565931698678254598975331 | [
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[
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[
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PO_4525036969743981059791072 | 4525036969743981059791072626129802272214939918588746298688421420223239906638116484294857153147466408000160627202620412430760982774735869970961247591689308 | 2025-04-16T16:09:44 | DS_r6c6gt2s98xm_0 | 1 | VASP | DFT-PBE | -77.098465 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1316328663130761852876647 | 13163286631307618528766471432528546339449187999017818355985959618753316601799077692863872398093269889730741965646172618642508307701646117646409314110059028 | 5776344465416585623811877898400861575560531325342925178274226166928705162662045365570556859577788678737585966848390455569730789683851698411730180059964642 | [
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[
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73
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[
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... | 54 | 1 | 3 | [
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"bcc.nvt"
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] | [
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true,
true
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1
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73,
73
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1,
1,
1
] | [
"defpath_tetra"
] | null | data/MD/5437/MD_1205415552139760354955437.json | null | null | null | {"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"} |
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[
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[
0.02808... | [
true,
true,
true
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73,
73,
... | 54 | 1 | 3 | [
1,
1,
1
] | [
"bcc.nvt"
] | null | data/MD/5437/MD_1205415552139760354955437.json | null | null | null | {"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"} |
PO_1015898878603600474989576 | 10158988786036004749895760117295005905758537052631367387268796660175300495102331074319096395853431892863377456879223078243353088241679719285647445846739608 | 2025-04-16T18:16:44 | DS_r6c6gt2s98xm_0 | 1 | VASP | DFT-PBE | -84.798275 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1105074314499038707042671 | 11050743144990387070426718191092096713506122246391496358737747167580642000502268682627475764183581894458813657991832961443508211532367543876932923453306259 | 4646834504253627991446192826604541193352769139378845153643133879370492963992727203607583959786138212913016240075907640731939926449646029317718071614031397 | [
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[
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[
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[
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[
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[
2.995549,
0,... | [
true,
true,
true
] | Ta8 | Ta | A | [
"Ta"
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1
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73,
73,
73,
73,
73,
73,
73,
73
] | 8 | 1 | 3 | [
1,
1,
1
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"eos_A15"
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PO_1053272250400984111967373 | 1053272250400984111967373986704440236594023139069884175102535701524665467371074181871019948403142064633765872285018844374358259279880812014716855656358182 | 2025-04-16T16:54:28 | DS_r6c6gt2s98xm_0 | 1 | VASP | DFT-PBE | -602.769046 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1031096237943728751200900 | 10310962379437287512009007583826796859957397534632550676674821930052728838791127307540509685038369330043390892084120643021384967183917969960002248481294831 | 12889844112191811591806104689605026116986774561191761463568112659316222446150743214068748478024290777823797939189440386990427043589878834791425131270986565 | [
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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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[
2.491325,
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[
10.2012... | [
true,
true,
true
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1
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73,
... | 54 | 1 | 3 | [
1,
1,
1
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"bcc.nvt"
] | null | data/MD/5437/MD_1205415552139760354955437.json | null | null | null | {"input": {"encut": {"value": 410, "units": "eV"}, "ismear": 1, "k-point-scheme": "Monkhorst-Pack", "sigma": 0.1}, "hash": "12054155521397603549554376749544068663146915892856033957178945934025863394537247568018721838678075938085825237606574321020334505603322454924913280038133608", "id": "MD_1205415552139760354955437"} |
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