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[
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PO_1105795930176659857906109 | 1105795930176659857906109675788309428058593606626363104877392146484687771197505652835047626236443415222506096381786454534041410619439333118855358396139387 | 2025-04-16T18:13:42 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.835886 | [
[
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[
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[
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PO_1050086059699892455153870 | 1050086059699892455153870746865218934731152843198361219006341257900334041261723040004985262905266312964544987001260155629114071595441050013574540076684866 | 2025-04-16T15:23:14 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -349.180321 | [
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[
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[
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[
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-4.3872... | [
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PO_1050046237796599486103516 | 10500462377965994861035162483221209408311022640231001818811709995642931833922964059975022798127408514770143843395865614169558674404175902642927532247553254 | 2025-04-16T21:44:51 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -339.943914 | [
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[
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[
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... | 64 | 1 | 3 | [
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"Si_md_342"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7290/MD_1146124331298844954087290.json | null | {"kinetic-energy": 2.321979, "temperature": 285.14, "hash": "11461243312988449540872905194332263872444002187681114730790540612639540878561928943141813866832322979719826231455827303694915267468352115572537447520025437", "id": "MD_1146124331298844954087290"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1107427744855395706302628 | 11074277448553957063026283880818793301573602766659948112272414097697997884871117027734332715130707423601271107636892528301033755137636856431807790280015901 | 2025-04-16T15:44:14 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -264.271954 | [
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[
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[
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[
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... | [
true,
true,
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1
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... | 64 | 1 | 3 | [
1,
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"Si_md_229"
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PO_5610225210552275088131444 | 5610225210552275088131444639834406912705833205351468351521895191457384393523363480464946632235221297306435471421625257837274719940017154944880297496089987 | 2025-04-16T22:03:29 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.808422 | [
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[
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[
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[
1... | [] | null | null | null | null | null | null | 3.408688 | 1.345136 | null | CO_6193526799664714647980637 | 6193526799664714647980637551542306370877862693180008390385167751686045868024356614675286075450527244190495216321494497427397028658842603366044399550735807 | 659759361120418506688194941720719889533146205541524709103382252800093465158896027144380301134938784911395912035908097306123945009552886199734229791905472 | [
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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,
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1
] | [
"Si_md_890"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/2456/MD_3489495148000860498542456.json | null | {"kinetic-energy": 15.11015, "temperature": 1855.5, "hash": "348949514800086049854245676795842417806601037525905880507313176622483551867080055613618480493299569821742113115335957003440159443073502791270388834342692", "id": "MD_3489495148000860498542456"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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