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PO_6294960316383108789945935 | 6294960316383108789945935634764774146950909530417413195240763439133833691405767872185977458086093729867675525828499500811599696022219366451352828979522311 | 2025-04-16T17:06:25 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.835957 | [
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PO_6510671153611531495341258 | 6510671153611531495341258905825699869648529546092757044148356122630602026971577086608304028066320544993081048741802085169575514058418434075375214468479326 | 2025-04-16T16:33:14 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -371.155622 | [
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PO_1199065004474971545031176 | 11990650044749715450311764523082688300916194686233937563597921537022409969667330549187162037246294576415314419218767135941657259902924441296791843526081969 | 2025-04-16T16:23:41 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.79568 | [
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PO_6557380706175697270624460 | 6557380706175697270624460244720073037889403149086727527858527297541766734803212871704613324495320368669568327752390339249843795491821414198528860796395832 | 2025-04-16T20:44:25 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.805158 | [
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[
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[
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PO_1204310421295201102516257 | 12043104212952011025162577332611538105277439389234665545846059538243236377589563846443818577774903011983570953985894728679971811588662687031473764491170373 | 2025-04-16T16:20:57 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.805497 | [
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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_857"
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PO_1206492587551948793356212 | 12064925875519487933562124344663298131200057694289430871477127083369415991206419249978397324691212415314033334219831562224198657247858343657940453132064226 | 2025-04-16T17:41:26 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -287.628343 | [
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[
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... | 64 | 1 | 3 | [
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PO_6574441256748311985832171 | 657444125674831198583217180399316112986568528145728421114203258267400068750895662236003380389976153837044295246426584963724041835843678901737468639559751 | 2025-04-16T21:37:17 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.823501 | [
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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_879"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/9318/MD_1276998674850191487829318.json | null | {"kinetic-energy": 17.854071, "temperature": 2192.45, "hash": "12769986748501914878293186735506631332812258764016397400078753474184301648015910707075735562070017950125397008392315355177386641703188781749076998715428015", "id": "MD_1276998674850191487829318"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1208539578138850946624857 | 12085395781388509466248573247677893352557043624288145928471672168721926898808429176062612180162595341607848961713902195443526081145213859114518994393609960 | 2025-04-16T17:14:08 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.800832 | [
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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,
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] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/5552/MD_1334635875649891394625552.json | null | {"temperature": 1943.97, "hash": "1334635875649891394625552952568228483472084773304387331819591077643742160468055081273621004648809577727491600792635578424106513412174130924452923971305018", "id": "MD_1334635875649891394625552"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_1208363019370399471693717 | 1208363019370399471693717277705731632723284990866693199844374582302958997616897284585612358291392074132045432496068473739453959027930611103092745747841097 | 2025-04-16T16:31:50 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -366.257793 | [
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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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[
-5.94254153,
-4.57850... | [
true,
true,
true
] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_396"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/0481/MD_9580498938536658722820481.json | null | {"kinetic-energy": 5.646682, "temperature": 693.4, "hash": "9580498938536658722820481685722172283267173286529085442230530434797812186766852134146075583436406876804589332267799572607245281098373041764845849184157284", "id": "MD_9580498938536658722820481"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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