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[
0.62069357,
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true
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PO_4867976023650373590722440 | 4867976023650373590722440249517562644232899644495852450657452119743946928071268473808388883346071408680290267778175031334202042010358790587181955577287617 | 2025-04-16T18:26:42 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.360396 | unknown | null | null | null | null | null | null | CO_1112202000017754392830638 | 1112202000017754392830638282650142393689372320602261172915215736754368971482538618598203709664847011932077101088268580692254626749426295478864759362337085 | 13008010420916845516172656024314600245170491301886481035835869678347289398151509209365633876911952154306294714690294374806758311352839502026810869691147573 | [
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4.6323288,
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true,
true,
true
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PO_4873007976401961913487849 | 4873007976401961913487849470979761229121892677712209879635207386684637358127322922549738721844616444992623334953731585950763619334313024429337723964922183 | 2025-04-16T18:12:42 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.017427 | unknown | null | null | null | null | null | null | CO_7172427722538024598594800 | 7172427722538024598594800715927949708697469187433552140557412618088968666693268764168850938152948793125592799280133968709348290240949853626068642701608040 | 9561240680670987683095694366096100344011804798625403817575503908423074662643317876227029740499635196259290637148956134647969991837397069911482805110670109 | [
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PO_4868928704166875566266149 | 4868928704166875566266149686256757382238531737924255151013543372644557061575295594972816298197573346579560580010893772088364150034647559898201149735580508 | 2025-04-16T21:09:01 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.858908 | unknown | null | null | null | null | null | null | CO_2214682989617264203795145 | 2214682989617264203795145287103922835714299032926259750715281105606895435599832022887359101597567278599706638258273807838940067213590108158054162828250247 | 2643724140876928684395855148151211201839465279873334510134393873648728535433685431215667666179458676966925973692533382205263988130159468481585297123261268 | [
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[
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true,
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true
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PO_4871536901289930819693177 | 4871536901289930819693177288072332851320349808779459783053171912472421870456564016321772248226097609498416196730643749374589708077375563763280431112099415 | 2025-04-16T21:27:46 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.622434 | unknown | null | null | null | null | null | null | CO_1545934110946291126896712 | 1545934110946291126896712593317257982914587319331194543694078458751960275281386744336557690462650076225473595580840892672082849400369963127798589149155463 | 6543742416396395096758114094184855225827482087504356856075025347820390146080928903920020435445330650049578550526261654337508641488463147375644824582584616 | [
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true,
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[
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PO_4870878503952664318265103 | 4870878503952664318265103634444524228299473847967441537474198735935442864663144066665814092299140866652249672651391752668795154592792769791371732809968852 | 2025-04-16T15:45:01 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.898316 | unknown | null | null | null | null | null | null | CO_2614764376856807108650123 | 2614764376856807108650123415610817788763942395256501760417848179519121885905813648227787016525490141722035307464442543160755666285731386723012912318667997 | 13057539993147941464517742270862831251936136959740751693612643765285479279408683363765015805742777596160259960437253213811934065370889727852420723754559897 | [
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[
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true,
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[
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PO_4877120316493920593810651 | 4877120316493920593810651095701236034229608557835721452271905105696541736934363684809958380491792255313014301640587765450406336327960874624171466756158393 | 2025-04-16T18:56:50 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.015756 | unknown | null | null | null | null | null | null | CO_6681727925001116246771600 | 668172792500111624677160075398607117178014920982743208337225755325606134473427035212912157594161581854690716812688741918246214005873579462362734222890446 | 2187772354667182600443346490218134995305626268000901061956367038996845258441569064012358970799797117508626979892779183342978909208939489987693420548966010 | [
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[
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true,
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PO_4877163474258780548957875 | 4877163474258780548957875179864751701474721356123112420369442041779603328884525395666379221274026578981804515821551388320913721078227546100522229052593693 | 2025-04-16T16:56:51 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.213503 | unknown | null | null | null | null | null | null | CO_1943710228116050525837415 | 1943710228116050525837415343504464767542538734317313835085887083634080462248575883041857585510851336386358061631516840256208992113834884897254802732587602 | 9909792219692512118643588574813224674987952844564515010287603362681996536989925039313298072092278474106059457411658581435660874158332308468994346977082078 | [
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[
5.49584717,
1.09096606,... | [
true,
true,
true
] | C24H48O24 | CH2O | A2BC | [
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PO_4877553585650296688397940 | 4877553585650296688397940995846906970801773752516593810369224358094287387963523507490166519918969176926885752339242050592404485664982128712504408210358964 | 2025-04-17T18:48:22 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.321184 | unknown | null | null | null | null | null | null | CO_3372738686786747005525833 | 3372738686786747005525833033845795847406901950981120517785131310072054776980775248725684549273821234070158493061473624646488093293951811238105432103259807 | 8037061424595697949158271497561099403032931477738985036118124780653780075737890581067548962027301803502318216484851663882171383215742007796999330428856055 | [
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[
3.16112292,
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9.51552... | [
true,
true,
true
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8... | 64 | 3 | 0 | [
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PO_4875449780868882870740212 | 4875449780868882870740212886989284352605867173359125681400319339095177292859981504323192669217254468175870950560202090831409725845783135538394971010159247 | 2025-04-16T17:32:52 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.167639 | unknown | null | null | null | null | null | null | CO_8381768996073007703837225 | 83817689960730077038372258895561756896981403756181377630758019626644956828539700808642417059912104815352254994563168257374040340948998859980567496258546 | 10052260411179636223748856342518693590101281647162786254186349214933910495515718354522711519742347697069310598858235462376046004395905527571993783304895199 | [
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[
1.4823713,
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5.0... | [
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true,
true
] | C28H32N8O16 | C7H8N2O4 | A8B7C4D2 | [
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PO_4878498031282370659856123 | 4878498031282370659856123390836753240482785888018885246031503047293328829494352711704063357361970200186624707367847405606939889207370304214376218605743666 | 2025-04-16T21:12:08 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.585448 | unknown | null | null | null | null | null | null | CO_1174608526392915871227523 | 11746085263929158712275239546766541251139170620922242739690268739507159705832836142050504909687914783132648669722676215004016017608021595485843445035960567 | 11695625601323676978885854481762705386722147184382489457779204611541688463753235190163678519083844347483571784193394691230528850542768708610909286710232626 | [
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1... | 132 | 3 | 0 | [
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PO_4878660940205356138158980 | 4878660940205356138158980971826621246439265118378844790578263519541115653455131064337733153974140162034937326426250880052168556368519137120629993122669261 | 2025-04-16T17:54:05 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.342207 | unknown | null | null | null | null | null | null | CO_3689538066622865244111937 | 3689538066622865244111937498385887440981245107011986278261610000436799098713076502566824662603348351305756999317782386149788740139002459445932625321966345 | 13184033793152209330070374168852474991175505637884021315697580795163624916035400487902332128193978770951045063363029687367502979185909504335244827891440404 | [
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[
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true,
true
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PO_4881272293798503831199115 | 488127229379850383119911542021455902699303125497476824412991893241037663204854045069498003713591466502605044313276158333376705840850591884987141511143960 | 2025-04-16T17:31:41 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.767256 | unknown | null | null | null | null | null | null | CO_1648693276433854311947215 | 1648693276433854311947215860880221957998913627118998310165322694616965377771869350413584558724539237671487998153172891357173295729465373875236924283639361 | 5144466383758132656499147870141569291429752698966158745769294509349334100050367626888120833758608702834099478213137456033933804493288106871600539525763404 | [
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[
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true,
true
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PO_4899655029124579445998541 | 4899655029124579445998541400109120382901375814885289543304297391324794582906042992696485099595086749553417859144576848608337945574042496826263689851112827 | 2025-04-16T15:42:51 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 2.031175 | unknown | null | null | null | null | null | null | CO_9146519293204591925469969 | 914651929320459192546996932848943542867625150812072985328375057397989118554829024169641601329445786454761037493178685456262919065304047060327938369088906 | 2216587688832598733890250199945501617884230894732224492934297900873119926219711866056317284213994116633384954592990246312120270657362615300737560625779101 | [
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PO_4898427348886313055457084 | 4898427348886313055457084727283594858581846087345959048207591927453249676550155757795555045992356639212717995033147557070579476578644557331391900722308815 | 2025-04-16T16:00:45 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 1.815418 | unknown | null | null | null | null | null | null | CO_1248360027638751450713505 | 12483600276387514507135050059580535975705204966605917557418189160962116281259346462115311201789679643011079644938025592368094295602024437181306780926515663 | 8431042939540141628856912969140715433595485038722644385483665556348093957492046238980201465770278181840286987366348442138660514882570233451574618060399969 | [
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PO_4898832901129350687819364 | 4898832901129350687819364802701199199511069613295984832324471411295637985799018551527756867709419223807824988533878622006791491947479165635028954054920188 | 2025-04-16T17:55:11 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 3.599418 | unknown | null | null | null | null | null | null | CO_4445976442236373803921250 | 4445976442236373803921250288809396554151710752213902896652140942092864676091303700712202283524213497246521426660698107901930879839603863920814713293985257 | 5198756541514368090469633988037490127464172368721441409768998377884167303465750774719795053923129954256993703887442751399959189797379300874116529164523284 | [
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9.665093,
0,
0.191992
],
[
1.074244,
10.009035,
4.102537
],
[
0,
0,
11.2785
]
] | [
[
4.36279351,
7.99826991,
7.01085471
],
[
6.37654349,
2.01076509,
8.56217429
],
[
2.06974237,
9.82887237,
6.98126049
],
[
8.66959463,
0.18016263,
8.59176851
],
[
1.34025337,
3.90552546,
6.78127622
],
[
9.39908363,
6.10350954,
... | [
true,
true,
true
] | C44H32O8Os2Sn2 | C22H16O4OsSn | A22B16C4DE | [
"C",
"H",
"O",
"Os",
"Sn"
] | [
0.5,
0.36363636363636365,
0.09090909090909091,
0.022727272727272728,
0.022727272727272728
] | [
50,
50,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
76,
76,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,... | 88 | 5 | 0 | [
0,
0,
0
] | [
"omdbv1_6525"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/0538/MD_8106403195328471679920538.json | null | {"cod_id": "4075498", "hash": "8106403195328471679920538739882041169971572917652115969219247948529054892769408922333394833657133617281005052409374213049780583064614100899614320561660645", "id": "MD_8106403195328471679920538"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
PO_4910332791692383904549900 | 4910332791692383904549900792206930086388039385901497644248292932819521101234158201676957529255854580008145748132870619773666348898958442264727229233203053 | 2025-04-16T16:05:52 | DS_hrt0twm503tr_0 | 1 | VASP | DFT-PBE | null | [] | [] | null | 4.409392 | unknown | null | null | null | null | null | null | CO_3592435786046639685854348 | 3592435786046639685854348749171009788222338968519902077323652852230640638375266812448443074301061948430427070952363799117430929721099478394785726341013103 | 12447718666768573455713701701980732772422340495759375325734982049679604460160553249392228693619660042587818538087979527730108333236841989921747654604983519 | [
[
6.250586,
0,
-1.529509
],
[
0,
6.853,
0
],
[
0,
0,
12.112
]
] | [
[
2.43397819,
2.3382436,
0.65679
],
[
3.81660781,
5.7647436,
9.925701
],
[
2.7871363,
0.2652111,
-0.46520326
],
[
3.4634497,
3.6917111,
11.04769426
],
[
1.95643342,
3.728032,
2.42814368
],
[
4.29415258,
0.301532,
8.15434732
... | [
true,
true,
true
] | C22H32O4 | C11H16O2 | A16B11C2 | [
"C",
"H",
"O"
] | [
0.3793103448275862,
0.5517241379310345,
0.06896551724137931
] | [
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
8,
8,
8,
8
] | 58 | 3 | 0 | [
0,
0,
0
] | [
"omdbv1_2110"
] | null | data/MD/1373/MD_1805345309678038649141373.json | data/MD/4669/MD_7045416213238997206544669.json | null | {"cod_id": "4020081", "hash": "7045416213238997206544669876290260801093262792747123729489375983465537104863354235172969743365298271925007187012613959620766429072256983916009676516290842", "id": "MD_7045416213238997206544669"} | {"input": {"kpoints": "6x6x6"}, "hash": "1805345309678038649141373775821908720953821209558291707229285288038923437608096556122479878684888599414233729964870529457137954655020180339895050726741703", "id": "MD_1805345309678038649141373"} |
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