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PO_4933718705895639545524145 | 4933718705895639545524145190853034312099531947406262973084173241169528691758432369936387975467206420220959609372977709114828136074501073646624777669570021 | 2025-04-16T18:43:13 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -121.088512 | [
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"data.035_set.000_5"
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PO_4935736959515402125504459 | 4935736959515402125504459975830740386337242380832531246676922828602853634242442185243692872736083362326878131338286377266483319433944284004568796734897554 | 2025-04-16T21:27:46 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -18.126486 | [
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0,
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PO_4934197953810916457320349 | 4934197953810916457320349714781661407986524585711821570841465546714518905674687367543466025372838776197251721175027191323939823955886028596475195322435283 | 2025-04-16T16:29:25 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -47.497096 | [
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[
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PO_4934852134292993675289162 | 4934852134292993675289162387491215735032119189275862598670334893847792067227360265823810928243913801444039685824465679973711594003133388225626633455052034 | 2025-04-16T18:30:57 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -16.35067 | [
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[
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true,
true,
true
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PO_4934421411614410006902388 | 493442141161441000690238873689913785236548825452764914286552116707169613126421039604760824608175001532586706981119456876850267141309379248069712194077159 | 2025-04-16T21:57:13 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -23.239815 | [
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... | [
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79,
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79,
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4931608209004632825797947 | 4931608209004632825797947598524724921899671396826677223545444404499375242891935174889643821415341396718544848572462358075805010256126506337833449959074801 | 2025-04-16T19:06:05 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -81.339473 | [
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[
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] | 32 | 1 | 0 | [
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"deepmd_set.000_361"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4931067678309845269523669 | 4931067678309845269523669944928184163165595220619272042530780148161996221328461924376532406551342058486860360190521599272049969440410648593858982452851597 | 2025-04-16T21:29:37 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -18.140717 | [
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[
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true,
true
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4931508969839381131580249 | 4931508969839381131580249251687782668840746547541896575430519645077592060569445965465424200972891573155999338548470173663621352000336033807219859115734738 | 2025-04-16T20:04:53 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -29.541899 | [
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[
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[
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true
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1
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79,
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79,
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PO_4931183422866583948168214 | 4931183422866583948168214924488191401769679538682792812410090955947540191009203944104978393035419325823376508828980654661698968408780235080438481874366359 | 2025-04-16T16:51:35 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -9.357784 | [
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1
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79,
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79,
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0,
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PO_4936363878014062772515360 | 4936363878014062772515360711218852963927593490979589631315314394004990080901202316264477345352599039566794645165086337861286107160941520133634324605010562 | 2025-04-16T16:46:19 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -36.768177 | [
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[
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79,
79,
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"data.026_set.000_37"
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PO_4936077191571637483819966 | 4936077191571637483819966662885537175816545566226974066456030426683729478920286174935907482201249963973966292398989735880987193168569636196520427312474408 | 2025-04-16T20:04:32 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -30.265236 | [
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79,
79,
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PO_4936860030702527929962286 | 4936860030702527929962286906173601617108634394373975316529181170680491624291924097200896852486507141015450432132389392773816928574218405214418363386121626 | 2025-04-16T17:56:50 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -52.874167 | [
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[... | [
true,
true,
true
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1
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79,
79,
79,
79,
79,
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79,
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0,
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"data.033_set.000_30"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4937421979815059007670511 | 4937421979815059007670511256486543189409118853435911113011002364920188280121838616217666118351141953888333990473990790681654694414885163760867549417004136 | 2025-04-16T21:44:51 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -40.424145 | [
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[
5.... | [
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79,
79,
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79,
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"data.008_set.000_79"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4939922872416107498267345 | 4939922872416107498267345925968165013153913498242284613144719832337599167698338352020989378478599834004962790462844214333214850618667622188053145634926350 | 2025-04-16T18:54:58 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -40.500129 | [
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1.1581944557... | [
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[... | [
true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4939524058666476762565349 | 4939524058666476762565349495540321066071735996734492708292952883637504136319120911017801368578077001048610418928632334891206790946182198494091835082936697 | 2025-04-16T18:11:35 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -109.765837 | [
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[... | [
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PO_4939255268400973134409288 | 4939255268400973134409288153046812928558396710520228298037241470937871939201875733579270207198867320765387474280019131566458881238332362103414004918600033 | 2025-04-16T17:32:52 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -40.133877 | [
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PO_4939148113769830564445522 | 4939148113769830564445522758271858637745840160078158721663955596368835005992483021559760799592705247277356743805804827655709180776442935133842000855118974 | 2025-04-16T21:29:37 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -101.989037 | [
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PO_4930022427129419853015862 | 4930022427129419853015862077685252011139260944090891370778157214229800150563177351112441614598303217931801129290053931650627310723742694000768514207520362 | 2025-04-16T17:03:14 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -61.510751 | [
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PO_4930563993725351683637457 | 4930563993725351683637457709702336883344674724416210088310448947970571237058403243219588719387301273237339137389766990297239769640911137033962224890950231 | 2025-04-16T16:07:44 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | 53.877673 | [
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true,
true
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
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0
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"data.038_set.000_25"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4932430665300148050905632 | 4932430665300148050905632751532838234428420692278071951838434263031992766673361491584268847074547948301874783692061527516764517987519248179000228461326748 | 2025-04-16T19:05:33 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -50.522121 | [
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[
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true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
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79,
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] | 16 | 1 | 0 | [
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"data.008_set.000_59"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003269876359089039851734 | 10032698763590890398517345900617961619347513929973831358447474191236881923130221513605192989997992680800875536991987337596457643832339887341594731084975904 | 2025-04-16T16:49:41 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -34.746742 | [
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[
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[
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true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 12 | 1 | 0 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003392082530187605498034 | 10033920825301876054980349232644026345494347769149360054377788085730006890116196491977300824308905867220715343633818311598493819578814276134429758332206585 | 2025-04-16T16:49:28 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -41.137412 | [
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1.616753... | [
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[
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... | [
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true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
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] | 12 | 1 | 0 | [
0,
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] | [
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PO_1003810243736506921977326 | 10038102437365069219773261607223283953810964648791677593084040612668688220389733860937013784018418258516316549655432129867366719418012447686346734079035738 | 2025-04-17T18:37:27 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -49.244942 | [
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[... | [
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PO_1003910802784433395329270 | 10039108027844333953292704883535728329617440205427429522154189145727203691507812123828271900664697500525132216957793220027364661368623307677000068725095624 | 2025-04-16T19:03:50 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -51.31731 | [
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PO_1005106755247577363486556 | 10051067552475773634865564844318639228803536034116989761426355172095750231474291777463268090617229293223669371254326763965174245411601240364488972522778054 | 2025-04-16T21:43:16 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -42.520483 | [
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PO_1004472295245332812123881 | 1004472295245332812123881844223971222067698957793021868880199505272677323895594326113672675709143118880584590454597575457071022563050645948168096749759886 | 2025-04-16T20:28:32 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -107.366938 | [
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PO_1004434817208025806223189 | 1004434817208025806223189984926517160927837089811705423844283996175692451341652509620208790860721819318045822603616934487167204084004414586602508223334024 | 2025-04-16T18:30:27 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -34.365627 | [
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PO_1004317560397388686243894 | 1004317560397388686243894796560807323478114745368490356893610182292331624713904848000515593960543879290709628524248511496704677696576661642713492885491276 | 2025-04-16T21:29:37 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -17.998053 | [
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PO_1004300579401835676496444 | 10043005794018356764964448086110617130635228241614925294178712244345554725822098015461475315997966902040210221602189283687409527856010084904142992828191842 | 2025-04-16T18:53:17 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -61.374075 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1004529564200014017213985 | 1004529564200014017213985618418996256142814696806592658973081191538375841943302189904687057670210830749338507831883055808302071749278178523329201341260863 | 2025-04-16T16:08:14 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -99.739319 | [
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[... | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1004571179846149549545809 | 10045711798461495495458093243016482511463013119378854508934531719440321933008400872345326127342223846247508264980672499367628316883273651618148358805251340 | 2025-04-16T17:24:20 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -61.158269 | [
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... | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1004518933499618041524052 | 10045189334996180415240525757547336571112339924866259493652042458881322681015385766983216447652420915683568523513283024312674086462198410028111007963825023 | 2025-04-16T21:56:50 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -51.099374 | [
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[
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PO_1004607416849720220497459 | 10046074168497202204974598007049551173666358722355937878153773342167022836378948577164150387284221136834271576189712549373598407259327046496602065384149341 | 2025-04-16T18:03:13 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -22.488322 | [
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PO_1004642221663100501972927 | 10046422216631005019729272193273963466126024985880945007035863661847681815171356473205632575676908081292704233965085149676814021540968105475255904026559284 | 2025-04-16T15:43:48 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -86.246651 | [
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PO_1004811956911811556746305 | 10048119569118115567463050721124403996958056866005992293810800106990895308938868718148041109343229467640699458133373343553880411363148369953560765018145423 | 2025-04-16T18:26:36 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -32.545334 | [
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79,
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PO_1004858637675317172042637 | 10048586376753171720426379431770421387140646608561169162220683362898541238279184513215670774254054282009480559318942514642178210974551422119189985583352096 | 2025-04-16T16:03:23 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -123.158131 | [
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[
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PO_1004971716329566536660299 | 10049717163295665366602998567241561100368385441578181465620969973544656712900452596728593154236521915066807966023348007055971510812720201517712818841589927 | 2025-04-16T20:40:01 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -52.635969 | [
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[
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true
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
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PO_1004945281194285325156237 | 1004945281194285325156237022201374629625726248258153307689710619060247543720369277659548966906148246318132995023074671284066340083179668665080498414008758 | 2025-04-16T19:57:50 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -34.673874 | [
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79,
79,
79,
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"data.025_set.000_9"
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PO_4962155667280907595386935 | 4962155667280907595386935720846669266682109288439706605299556820956094238870742607778524977075497333406342126641966169978269923679360914764857389000325169 | 2025-04-17T18:37:27 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -60.296933 | [
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PO_4962462104745382173132400 | 4962462104745382173132400898795132613092048790435466515261456848062754598058792068633338365419370892348231120865709080734766485783588881816378941061735216 | 2025-04-16T21:13:01 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -43.581528 | [
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[
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true,
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true
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1
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79,
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79,
79,
79,
79,
79,
79,
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79,
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79
] | 16 | 1 | 0 | [
0,
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"data.033_set.000_85"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4969627362548458052508368 | 4969627362548458052508368804608095129630237888630817434577244414988500665055702288123450412386417400387040334809761249078626848545813006566550434615897599 | 2025-04-16T15:42:51 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -21.951428 | [
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true,
true
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4969952941374472251627825 | 4969952941374472251627825705666702822258939268267079870319270374426281029867453875174818668051826930357680244511723301809729030926932267869565047256980746 | 2025-04-16T16:28:27 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -51.451733 | [
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[
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true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 1 | 0 | [
0,
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"data.035_set.000_55"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4969945350372091992223167 | 4969945350372091992223167432273549246959045449551497399664511813777588158600730549805260699562744690252227260151895951647246311725581485604416850133700319 | 2025-04-16T16:28:49 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -97.017479 | [
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0.741972029209... | [
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[
... | [
true,
true,
true
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1
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79,
79,
79,
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79,
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79,
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] | 32 | 1 | 0 | [
0,
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] | [
"data.001_set.000_76"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4959950125080651158351093 | 4959950125080651158351093018756185654196353119691990833995567969178396549825793009049448342286575977457843616354980399726644398106087575538784421081565759 | 2025-04-16T22:03:29 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -55.013425 | [
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[
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[
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[
... | [
true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
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79,
79,
79,
79
] | 16 | 1 | 0 | [
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PO_4963383345840735325543729 | 4963383345840735325543729477402963226628563405981618088827402204344300685235921045421098431729069011261715921039612015407452369981812582418184409909391007 | 2025-04-16T20:35:09 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -97.107719 | [
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PO_4963074547351917158365052 | 4963074547351917158365052121615731930789140017880310172079586635181099158295779611621091748343984130171897992221657927837934105705735237235489348485227832 | 2025-04-16T21:28:46 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -40.873245 | [
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PO_4932971739151492765629713 | 4932971739151492765629713918569781793535529719529514648513005876062722671057323031583382346899977243147041552189622426509842011419454351440690955409488032 | 2025-04-16T17:47:40 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -57.490376 | [
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PO_4932259875830870042601205 | 4932259875830870042601205034561504529593206066825580117151747950607120759018710333377623007279780791404363675996917792332290783368641807679485843964970134 | 2025-04-16T21:51:00 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -101.593643 | [
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PO_4932028070963214819231831 | 4932028070963214819231831912162526722447139298259497629492621319243099801453942092711450222856241979858564703565951474449920598728401698703270084023760439 | 2025-04-16T17:35:49 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -95.305763 | [
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PO_4932409524200103383921102 | 4932409524200103383921102198745840502473005503564337423905852123328947068026244081233695823758737537293878349039594697614093648818250669184261451346677181 | 2025-04-16T21:37:22 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -31.642826 | [
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[
1... | [
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PO_4932170974807057565053211 | 4932170974807057565053211802716894571971933871521890652090093501344816144530974322922519580607164434823690302078531631962269711867247576743852650333286253 | 2025-04-16T18:48:00 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -60.454899 | [
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PO_4944994236650418470890170 | 4944994236650418470890170601194939104940079687621742968416431749072820848316014969652419751346055654847044597582236861665049519057389203215925164137233913 | 2025-04-16T18:49:16 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -12.08089 | [
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PO_4944116390072515267808773 | 4944116390072515267808773128160467796545125343371798678745422119571545313480732103637055217811134001147569850129960214608328308772901250572180705956161376 | 2025-04-17T18:06:06 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -50.522461 | [
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PO_4940871414561957387788342 | 4940871414561957387788342729939272574144703846764033719174705465793000067298171138813758480743314840632077500298397920411110608410751111811836330611048322 | 2025-04-16T16:55:31 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -23.181715 | [
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[
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PO_4940967697124380193647442 | 4940967697124380193647442658342706695248261761872970291606802774907270765395938814039444140737369150532018700560754471238649334053176909131465234185284162 | 2025-04-16T18:13:42 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -46.573406 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4947228355823067634911688 | 4947228355823067634911688518828229933381385012722686955384072095175623222655744007986310539823639411443025693670566024114468219150819899322514660353126287 | 2025-04-16T19:57:46 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -21.177593 | [
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... | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4947070719389442215957297 | 494707071938944221595729776493134627810077608881689256073382009194230613256539040126580938486372844129046122331323989099711213239347591151371807726458120 | 2025-04-16T21:30:02 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -50.83762 | [
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... | [
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PO_4943863177196283462847797 | 4943863177196283462847797919665328065252536584537610997422003392594352972071993518162070663851496322823253852725664720121303030841552849650644761686829311 | 2025-04-16T16:09:45 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -17.931631 | [
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PO_4946666280246156103526130 | 4946666280246156103526130866879502468213586240119972201351418165805521082638194587404565394782576252084751862753914442873355157051307286435876229513474855 | 2025-04-16T20:17:40 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -31.793516 | [
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PO_4948251404340190902083111 | 4948251404340190902083111276713182922617115188411267868352899986284556580360656328173776103228593310534290627855661311086196919677840425468170843157688535 | 2025-04-16T17:32:52 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -61.697781 | [
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PO_4948717866343080832469209 | 4948717866343080832469209117565033317491999064897032760738117736088612243618978365075241369921065030395584009347062244973130159835187825606276395556637992 | 2025-04-16T15:44:22 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -61.505309 | [
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PO_4949025475232232373087294 | 4949025475232232373087294744184398213863106669205134231195397577240482533040107574558078537320567482422676467523863245801018851752366793922666098737499712 | 2025-04-16T21:27:46 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -54.33055 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4949318964942967740749349 | 4949318964942967740749349625652593060571108570101370100638690857555730772953504028868752917232023601168414653446751576181365511131146461651527439483139571 | 2025-04-16T15:40:09 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -50.462862 | [
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"deepmd_set.000_421"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4949129101236848843751311 | 494912910123684884375131113195237555897047530647499367269065439808808128739005754955697576998937989749904255188028297675050700209298900033275159833348844 | 2025-04-16T20:42:07 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -21.504211 | [
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[
0.6760225711217731,
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-3.188701427811277... | [
[
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[
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0.4814068358551854,
25.07554040791738
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] | true | null | null | null | null | null | 3.951534 | 1.920155 | null | CO_4467429162850544531753293 | 4467429162850544531753293610732047961322522508755350711773120438033966184247639527137012187150328318999191126311354732580866837630948858871530036300251480 | 9090610600576701205401371850974273765674329030746412067373242613265174988924689955600259867001363790040272121927329351784842565723525720875943479631759861 | [
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[
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0
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[
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[
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[
2.2604401111602783,
1.4574300050735474,
11.281100273132324
],
[
1.583430... | [
true,
true,
true
] | Au6 | Au | A | [
"Au"
] | [
1
] | [
79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
] | [
"data.037_set.000_81"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_4949734738796148882478533 | 4949734738796148882478533352682417334999510501241165772367530859912403033466064623033474134047394192843028545707075946140431595140260614939737314651163776 | 2025-04-16T21:13:01 | DS_tydu7u0h0hhz_0 | 1 | VASP, DP-GEN | DFT-PBE-D3 | -35.639473 | [
[
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[
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[
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0.0146289998665452
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[
0.0033889999613165855,
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[
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[
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1.0780549049377441
],
[
-1.0083189010620117,
1.0780549049377441,
-43.77278518676758
]
] | true | null | null | null | null | null | 0.076746 | 0.043957 | null | CO_5951294705537446382709147 | 5951294705537446382709147881479244287513577293455970948186897040064110364804418752889460056257455956308830823875627855542012843438552247175721209560344350 | 7502318063050162627637143445092722841621646743424922529451987331383181092187432057951566317861078660681816639655573395069664837516836081546932301542150188 | [
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0
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[
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7.617004871368408,
0
],
[
-0.16008195281028748,
0.19910873472690582,
7.860841274261475
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] | [
[
1.8271499872207642,
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1.940659999847412
],
[
7.634130001068115,
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[
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[
1.8178199529647827,
2.019550085067749,
5.875360012054443
],
[
-0... | [
true,
true,
true
] | Au16 | Au | A | [
"Au"
] | [
1
] | [
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_591"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
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