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PO_9406317722649045284151307 | 9406317722649045284151307888487711547678125710559736184495107920734336037895669104984395846362215373524667885497580129951414977265491618011407473093946817 | 2025-04-16T18:58:19 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -337.251495 | [
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PO_3069176399629213014238533 | 3069176399629213014238533330765488422251013747483046613731158255085120961585612469017592709669648863934074337895252407555108056566148214887522814507521290 | 2025-04-17T18:06:06 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.79513 | [
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] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1319/MD_1084328159145170867211319.json | null | {"kinetic-energy": 16.429632, "temperature": 2017.53, "hash": "10843281591451708672113193912454383672925621461089454217211936899639218922379127619001578947810954493919174705293730561874684290789275611002837894130056425", "id": "MD_1084328159145170867211319"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_3984417394540439130091707 | 3984417394540439130091707984354208099839326272770661768178190977326262991356330915717202391948335814273667826455084144942572526510943042104861698872064473 | 2025-04-16T20:08:38 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -371.154077 | [
[
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[
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[
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[
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[
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[
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0.8421358... | [
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true,
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... | 64 | 1 | 3 | [
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"Si_md_263"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/2458/MD_7303474901479777714352458.json | null | {"kinetic-energy": 1.070598, "temperature": 131.47, "hash": "7303474901479777714352458320842847377112811001586888062366597347928809636147486668220182002885433822445180086656273422132713024921949113481469240837243013", "id": "MD_7303474901479777714352458"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_3783457680970814287142194 | 3783457680970814287142194769577200591044235576961893885048183810681531962280163116930882988416334041249127453185830941390232890049883573440138553890322925 | 2025-04-16T18:41:35 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.813199 | [
[
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[
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[
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[
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[
... | [] | null | null | null | null | null | null | 3.089031 | 1.235098 | null | CO_1092629932074039816817945 | 10926299320740398168179452759101061861005901312928190552035159697509685498546562816981637068342036763207503803348590306368015280864264997973664516146211999 | 6336279123021800240273464829529865945406574936349035351827328919293444495748721834609621591647141346928013107905943956935290924483030606190938820975900843 | [
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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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... | 64 | 1 | 3 | [
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1
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"Si_md_1086"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/3003/MD_1259422742080031519393003.json | null | {"kinetic-energy": 16.198653, "temperature": 1989.17, "hash": "12594227420800315193930036133150496613311808956554368839158351846490005143655568792736749309740729636844271210785915422778939181548838854974963679620711552", "id": "MD_1259422742080031519393003"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_3775036483816019274676577 | 3775036483816019274676577467595017891300055420654844710237800841144160250717299090507972951254384503456892460351352135579283007105440636475250366452318990 | 2025-04-16T21:37:22 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.809338 | [
[
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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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... | 64 | 1 | 3 | [
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PO_3815362850684353799135615 | 3815362850684353799135615980677938579075873116012290697248092422212744658103925066539926823400059505197923839485347629819390376790755320221683417921543636 | 2025-04-16T20:58:52 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.799509 | [
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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,
true,
true
] | Si64 | Si | A | [
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... | 64 | 1 | 3 | [
1,
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"Si_md_922"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/1970/MD_4142605650044465486721970.json | null | {"kinetic-energy": 13.988203, "temperature": 1717.73, "hash": "4142605650044465486721970197441598932909345554285867545394875773962151947298616642523329624948915930650825267719454418115731547497539785407787265531331767", "id": "MD_4142605650044465486721970"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_3795452583154149045477322 | 379545258315414904547732275365377202313583516441273463358850776805757794737163498945534312674114361894764115228321917206445244288590148789873781467868352 | 2025-04-16T16:31:02 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -163.260304 | [
[
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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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[
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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_99"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/7721/MD_2734227606148538340547721.json | null | {"kinetic-energy": 0.219365, "temperature": 26.94, "hash": "2734227606148538340547721322325275960694362144811711527232360599874859797213659469698016721136125612593026646711996564644690155874900297883053767304112246", "id": "MD_2734227606148538340547721"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
PO_9765496861535806253321916 | 9765496861535806253321916728405241499733107853470491369741833942847029721706784311190326866435887532545749852829546447191071173630801814744128887001792092 | 2025-04-16T21:23:51 | DS_paehju6qhaym_0 | 1 | VASP | DFT-PBE | -364.807603 | [
[
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0.224747,
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[
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[
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[
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[
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[
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0.620487
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[
0.7... | [] | null | null | null | null | null | null | 3.425085 | 1.505534 | null | CO_5390871489879684074403154 | 5390871489879684074403154224953650095594826745766649369133763125361753911335312207747203808391961698323175195210040065411715717278890730274616241096000197 | 7445822658914748742120087358644638226747366443753580241551329983376578299942657741948444452152028735774099031140367435930187309426236004431937639159530575 | [
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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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[
1.17515402,
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10.29156741
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[
3.64441824,
6.53532183,
... | [
true,
true,
true
] | Si64 | Si | A | [
"Si"
] | [
1
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... | 64 | 1 | 3 | [
1,
1,
1
] | [
"Si_md_1105"
] | null | data/MD/1661/MD_5577206721215149207031661.json | data/MD/4157/MD_1221882385383705856484157.json | null | {"kinetic-energy": 15.139628, "temperature": 1859.12, "hash": "12218823853837058564841571844429779524854838597517522358631147044600403820256578573024269594728487891299085713439206322947104878115185721324670491848769893", "id": "MD_1221882385383705856484157"} | {"input": {"encut": {"value": 300, "units": "eV"}}, "hash": "5577206721215149207031661852369520766119263059841127061775884488621111765052869295818306154415579559398690560195695897270029554372419960552556998045628452", "id": "MD_5577206721215149207031661"} |
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