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PO_1002779819903539723792745 | 10027798199035397237927454656401662303046316406650186684124404521190029628034311022118336337862861098515749165123969172482326862752986789460337358954357967 | 2025-04-25T20:45:06 | DS_xnio123pebli_0 | 1 | VASP | PBE | -186.074515 | [
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PO_1002717657422076062285119 | 10027176574220760622851195455474016715717714871566133283070805669538576872312911517140230291521002097214656012923238961965707090280672575512333187584516716 | 2025-04-25T14:40:21 | DS_xnio123pebli_0 | 1 | VASP | PBE | -24.929308 | [
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PO_1002771551742977139258546 | 10027715517429771392585465814333802597825384947355286281201996410622095354393739476277819138409528011340589804991248973358667295201339063834610650115155207 | 2025-04-25T14:48:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -14.167447 | [
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true
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33,
65,
65
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] | data/MD/6561/MD_9696489316149032754806561.json | null | null | null | {"input": {"ENAUG": 462.758, "ENMAX": 260.85, "PREC": "high", "kpoints": [1, 1, 3]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "9696489316149032754806561328763868630614618402845625891587628455179149367375861534084031988164644328136724447282855740126577278076130... |
PO_1002797383572375351148080 | 10027973835723753511480805244962535840753964684730556148525964758532813098075484617008865255224941136954184978631149115307177181444123710858844589650755106 | 2025-04-25T14:48:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -15.415797 | [
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[
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] | false | null | null | null | null | null | 0.08272 | 0.056637 | null | CO_3240385056292973114413933 | 3240385056292973114413933079261927035479029044555121607051609819537291639404628283721775085498060995698992700166611797723620850799621848224323623343497487 | 4985558476062662711491597496688559962898402891235330702962618280546204401441394641261101474294529507829698863391049770612889522560965023376715017736953934 | [
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[
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] | data/MD/4603/MD_1204640956009469336054603.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 9]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "12046409560094693360546031378026804631473136040283839797599423036369156139992571846141701746455622146570388424255909592355935607097796... |
PO_1002729440410473950838063 | 10027294404104739508380636103166534272907945104186590944873178601660797975787526779701288165522557291542281606536187154934038918429436850040937611284162558 | 2025-04-25T14:48:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -21.367175 | [
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[
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[
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PO_1002742011718018096975867 | 10027420117180180969758672406826969033612473831028708955627876714162843054007719235907144001615731046936789160646574811024815621465630142006340086499775257 | 2025-04-25T15:29:01 | DS_xnio123pebli_0 | 1 | VASP | PBE | -50.373573 | [
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[
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[
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] | data/MD/1218/MD_1209610711957945604001218.json | null | null | null | {"input": {"ENAUG": 490.69, "ENMAX": 353.37125, "PREC": "high", "kpoints": [1, 1, 8]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "12096107119579456040012183890125769500959914377137465482798143809590878331027925081576937645937153903525473793370181782466151260148... |
PO_1002733045766236853274156 | 10027330457662368532741563549634845422257928115472250656958775299245131533978030086796381863769965326845257945737114679829640897687628929937901463316329513 | 2025-04-25T21:50:23 | DS_xnio123pebli_0 | 1 | VASP | PBE | -22.10244 | [
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true
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0.75,
0.25
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9,
9,
62
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PO_1002756962213512565678074 | 10027569622135125656780742997099690323146879283682406945825440993682274021617453282420894611838414385369109427145853308913694701720813454971375321137836193 | 2025-04-25T21:50:22 | DS_xnio123pebli_0 | 1 | VASP | PBE | -96.159069 | [
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[
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[
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true,
true
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24,
24,
24,
24,
24,
7,
7,
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7,
7
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1,
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] | [
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] | data/MD/5257/MD_1301650015739833034695257.json | null | null | null | {"input": {"ENAUG": 627.112, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 7]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "13016500157398330346952579677135394819237436499340318525212684716772884062307946767534653247546188803630456267657096435084665444507606... |
PO_1002755523938572797173433 | 10027555239385727971734337551097510244812958593722920605489835738985918427120358124601122686442083556177267617322349653173256664063672725120398844601666 | 2025-04-25T21:54:46 | DS_xnio123pebli_0 | 1 | VASP | PBE | -31.5264 | [
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[
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[
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] | false | null | null | null | null | null | 2.309045 | 0.966588 | null | CO_7688259541040094623411547 | 7688259541040094623411547965535954800847589294070677477575290366497375624688211924378396052039764811698670604138886237994493837349983146982839585578230871 | 3467357085246654771847873229663705772968246960458612814782024438393023968882062745244152891773156108598999064710549368610281086821019513951409904689607824 | [
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[
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true
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PO_1002703618016225702000167 | 10027036180162257020001671592052721366734364934771228652644155366005500159565239355826390748119000630710214606580856564278996088605944144002512320500174530 | 2025-04-25T21:54:48 | DS_xnio123pebli_0 | 1 | VASP | PBE | -36.881742 | [
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[
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[
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[
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true,
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true
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0.5
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8,
8,
8,
8,
46,
46,
46,
46
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] | data/MD/7590/MD_3378657654435855326447590.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 14]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "3378657654435855326447590455804480517151965011666844703101618681738375663026846790052582423503287087641207239442572647619473335423359... |
PO_1002709266265713310909536 | 10027092662657133109095361239954617403271217662548853342841362039338618733685923842561359856777170616326722068365125855298214129926036168501097853926190524 | 2025-04-25T21:58:58 | DS_xnio123pebli_0 | 1 | VASP | PBE | -37.22087 | [
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[
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[
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[
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] | false | null | null | null | null | null | 0.008917 | 0.006076 | null | CO_6716204901181380446126776 | 6716204901181380446126776814268783130650484472417499312734887386356270053161791221581888045186431781661267952443066138031545194351896455010284024725329390 | 787071257827221320237623305678696708856527710078733490530222348189768413843359179160248118737486062449304512744447984087927996551191214998467912062477686 | [
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[
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true,
true,
true
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24,
24,
8,
8,
8,
8
] | 6 | 2 | 3 | [
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] | [
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] | data/MD/7591/MD_1339236999956634485047591.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 13]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "1339236999956634485047591021292773549230038850709318954455855869705750117088315299387142121062122296193777205647459571697754440860699... |
PO_1002708677731434950922025 | 10027086777314349509220252567179109046640191325670283575005556259643238020629197441630652732246183306964610540977190177167086143528752403310796616165652079 | 2025-04-25T21:58:58 | DS_xnio123pebli_0 | 1 | VASP | PBE | -37.074122 | [
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[
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[
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[
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] | false | null | null | null | null | null | 0.15472 | 0.119267 | null | CO_1686023250723529026348708 | 1686023250723529026348708265035276656582181455842840897589600524137158267415297587751448120339390516150207053840017220202795493255254964441553049431360868 | 6351170340224073737886824849633227781689528142411259329032968619642982986875364411798205418539712333266107807272149121680127398197024107038095236596268855 | [
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[
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true,
true,
true
] | Cr2O4 | CrO2 | A2B | [
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24,
24,
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8,
8,
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] | 6 | 2 | 3 | [
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] | [
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] | [
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] | data/MD/7590/MD_3378657654435855326447590.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 14]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "3378657654435855326447590455804480517151965011666844703101618681738375663026846790052582423503287087641207239442572647619473335423359... |
PO_1002778183962012202508221 | 10027781839620122025082210044752817776415760580165691464662907157812948530271919442011427219696028344691527703614441817511575498677017846719809111964745477 | 2025-04-25T21:58:58 | DS_xnio123pebli_0 | 1 | VASP | PBE | -28.607167 | [
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[
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[
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],
[
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] | false | null | null | null | null | null | 0.009297 | 0.004899 | null | CO_1124308786231107885914250 | 11243087862311078859142507382254002444271379717712004776409013433637775223575928366694805428506413523114130214229833632642197489175675899346310108294562766 | 10866074641055371977291318641372351958189358762406763792918819914379987129056370865787328537336915047128454791645738303642575707305380421703910646892110541 | [
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[
... | [
true,
true,
true
] | In6Tl6 | InTl | AB | [
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0.5
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49,
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49,
49,
81,
81,
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] | 12 | 2 | 3 | [
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] | [
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] | [
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PO_1002740540043451039114840 | 10027405400434510391148402108012076946163422013330674038043677656293472677033178551493409372829184771708995747119073272809052848749357490928495689179463820 | 2025-04-25T22:12:51 | DS_xnio123pebli_0 | 1 | VASP | PBE | -7.341758 | [
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PO_1002719988498207775878301 | 10027199884982077758783011447665290529778131231184128386066272908191146563418702384490459301182878749954779746002734201350884938265886360045243284775007844 | 2025-04-25T21:03:36 | DS_xnio123pebli_0 | 1 | VASP | PBE | -169.687374 | [
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PO_1002787954223282325859678 | 10027879542232823258596786776430321003921106957274903294303424108670029749398543565568751645345091151363360274529097257387000117729454749681470737490552061 | 2025-04-25T21:09:49 | DS_xnio123pebli_0 | 1 | VASP | PBE | -50.362781 | [
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PO_1002721727930173179855680 | 10027217279301731798556805675264295641380486508059564482071523724670009477630198531468970005376026188722417716016088352227968768338550650494592782072618720 | 2025-04-25T21:37:33 | DS_xnio123pebli_0 | 1 | VASP | PBE | -37.033771 | [
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[
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true,
true
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0.75
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83,
83,
9,
9,
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9,
9
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1
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PO_1002717735328351452392828 | 10027177353283514523928287939075282948643385940942494362438899014504432033889071614516704312800044044733249364353863789452356109111083968623206312917766062 | 2025-04-25T21:37:35 | DS_xnio123pebli_0 | 1 | VASP | PBE | -12.396495 | [
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true
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0.5
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29,
29,
52,
52
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1
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PO_1002778617416243041476076 | 10027786174162430414760762197376128192486414056126348042257571240133999792765823019672581448531364412455305007307650496024455199763768536253471160525527012 | 2025-04-25T21:37:37 | DS_xnio123pebli_0 | 1 | VASP | PBE | -17.45969 | [
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[
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[
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[
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true,
true
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0.5,
0.5
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17,
37,
37,
37
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] | data/MD/1098/MD_1172053470727798952651098.json | null | null | null | {"input": {"ENAUG": 423.861, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 3]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "11720534707277989526510987671391234007919296210442603632681742634681426856533462625482525478007191198555188400553900289179224794597575... |
PO_1002706131619477515866376 | 10027061316194775158663760222644548458704201000884620303411401498395487521430460610582808604427280625993751746285793490815667640244343133182532432956908710 | 2025-04-25T21:42:01 | DS_xnio123pebli_0 | 1 | VASP | PBE | -27.650435 | [
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[
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[
4... | [
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true,
true
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0.3333333333333333
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17,
17,
17,
17,
25,
25
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1
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] | data/MD/0238/MD_5333027030492204094040238.json | null | null | null | {"input": {"ENAUG": 569.085, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 5]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "53330270304922040940402386281097504645301257329894484572979240880053245201004688947711127669457165267399435165373684193145537960436855... |
PO_1002710024362735330392814 | 10027100243627353303928143392817377466320435642313398565249186558564288133513887382539093492717772428876054061304277817344337479397624586149684726432519130 | 2025-04-25T19:33:59 | DS_xnio123pebli_0 | 1 | VASP | PBE | -66.535843 | [
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[
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[
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[... | [
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true
] | N6Pd6 | NPd | AB | [
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0.5
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7,
7,
7,
7,
7,
46,
46,
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46,
46
] | 12 | 2 | 3 | [
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1
] | [
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] | [
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] | data/MD/7765/MD_1088296298161711784227765.json | null | null | null | {"input": {"ENAUG": 627.112, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 13]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "1088296298161711784227765869089532870184174873693897216544284021502848772845219005801936821244054167686899086278463410830653980306036... |
PO_1002711093888993252937163 | 10027110938889932529371639676417637314348864798409808050007927762757826324642972432877734230297182778365360131896480006087461214026848548794873947562575778 | 2025-04-25T19:33:59 | DS_xnio123pebli_0 | 1 | VASP | PBE | -42.923473 | [
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[
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[
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[
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true,
true
] | Fe4Te4 | FeTe | AB | [
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0.5
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26,
26,
26,
26,
52,
52,
52,
52
] | 8 | 2 | 3 | [
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1
] | [
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] | [
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] | data/MD/6209/MD_9651034678515203477386209.json | null | null | null | {"input": {"ENAUG": 578.342, "ENMAX": 366.5475, "PREC": "high", "kpoints": [1, 1, 13]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "9651034678515203477386209452235589104002287546106238656911713848397439499127941340634079945962808320668703564144635245670496803404... |
PO_1002788435797851027727202 | 10027884357978510277272025655655937305674026030691808194092260467816959794904476486028420502720108780697349979900139225978416505029159408687432218871927952 | 2025-04-25T19:50:43 | DS_xnio123pebli_0 | 1 | VASP | PBE | -76.199162 | [
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[
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[
5.2... | [
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true,
true
] | Al6N6 | AlN | AB | [
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0.5
] | [
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13,
13,
13,
13,
13,
7,
7,
7,
7,
7,
7
] | 12 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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PO_1002732635246879882780581 | 10027326352468798827805816479889429121288965066604758743727561377997239432100160768880258069216476728565583991833463158059468211364691098190924492649710569 | 2025-04-25T16:24:24 | DS_xnio123pebli_0 | 1 | VASP | PBE | -145.89876 | [
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[
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[
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true,
true
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PO_1002758512344533716588809 | 10027585123445337165888091581664975556440494358406203161677374370969453409770081323170943745800715275973702194079932635587319051360994665023836803601054696 | 2025-04-25T16:24:24 | DS_xnio123pebli_0 | 1 | VASP | PBE | -26.383363 | [
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[
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[
6.... | [
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true,
true
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0.75
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83,
17,
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17,
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PO_1002730545009603698633836 | 10027305450096036986338365111173798846154732215546143750639982624972911825601779333036983507932726247625589428952353788339485794960580470592626137041982071 | 2025-04-25T16:32:19 | DS_xnio123pebli_0 | 1 | VASP | PBE | -56.189712 | [
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[
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[
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[
5.... | [
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true,
true
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25,
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PO_1002772749917798279939964 | 10027727499177982799399646428633832758940873518260922276273195700488042330438426454960535845536558093923033349254570785566961726888635942824710140630582544 | 2025-04-25T16:32:19 | DS_xnio123pebli_0 | 1 | VASP | PBE | -36.440507 | [
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[
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[
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true,
true
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0.6,
0.4
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25,
25,
25,
7,
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] | data/MD/3382/MD_1127076293863996124233382.json | null | null | null | {"input": {"ENAUG": 627.112, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 8]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "11270762938639961242333826946894224379208073769010284041537728604083985547140646417401190492458172206705640827336513381303013317539518... |
PO_1002791743498052384994657 | 10027917434980523849946575018792420137410460067940313840140971494077554931763723251689795470196812202382430823510109283652790427727869912359407527866638887 | 2025-04-25T16:40:21 | DS_xnio123pebli_0 | 1 | VASP | PBE | -44.107038 | [
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[
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[
0.05596217,
0.0454... | [
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[
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[
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[
5.... | [
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true,
true
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0.8
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17,
17,
17,
17,
17,
17,
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] | 10 | 2 | 3 | [
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] | [
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] | [
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] | data/MD/2639/MD_8587958454354899934832639.json | null | null | null | {"input": {"ENAUG": 659.424, "ENMAX": 374.875, "PREC": "high", "kpoints": [1, 1, 5]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "858795845435489993483263987385746470899090350816998169198652830096027848006501370262085947145669655435788220171755779339758565323596... |
PO_1002785620057012692139191 | 10027856200570126921391910372112644221261742648688658747494325785628619255327039150587862272057139860438566554256571683790195121627978039920465615129605781 | 2025-04-25T16:48:43 | DS_xnio123pebli_0 | 1 | VASP | PBE | -21.736932 | [
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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
] | Ag6As2 | Ag3As | A3B | [
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33,
33
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] | [
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] | [
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] | data/MD/5567/MD_9657187867582377710935567.json | null | null | null | {"input": {"ENAUG": 462.758, "ENMAX": 312.3075, "PREC": "high", "kpoints": [1, 1, 14]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "9657187867582377710935567395642133674418134739969130500823705650518260802781082898621774150965645334969349460680151657225970461240... |
PO_1002736882503195283916936 | 10027368825031952839169365014222283475962138669727496103199135053879832636364459008529307835883315079117502640735606999816126838952778200906468673025738866 | 2025-04-25T16:48:43 | DS_xnio123pebli_0 | 1 | VASP | PBE | -21.365233 | [
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[
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0.0576... | [
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] | false | null | null | null | null | null | 0.47333 | 0.280191 | null | CO_1260086025952839385445078 | 12600860259528393854450789251957193182211811785167902109715224971808402705859757929164880207078955611158942220965985082930943036221316175039455902401622541 | 2584146713270802238365144521068047436654161207337171423310200273145411127373119231053597074717871152934383277800860991570972050874543808578289558075977956 | [
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[
... | [
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true,
true
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] | [
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] | data/MD/3160/MD_5939398569364531560173160.json | null | null | null | {"input": {"ENAUG": 531.926, "ENMAX": 385.9375, "PREC": "high", "kpoints": [1, 1, 8]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "59393985693645315601731605278907034038258351500177605725843437159492688937734881888215635682435292095090083220215222716950473980281... |
PO_1002740715596303916924415 | 10027407155963039169244154975700803823765915994873059592507543221706087288259525139807042547566144153737953643772998721966564881882924850592211139886429782 | 2025-04-25T16:48:43 | DS_xnio123pebli_0 | 1 | VASP | PBE | -79.202956 | [
[
-0.00041245,
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0.00571464
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[
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[
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[
0.00117635,
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0
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[
0.00133081,
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[
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0
],
[
0,
0,
-0.05241856
]
] | false | null | null | null | null | null | 0.031255 | 0.01273 | null | CO_9712546215721379880205198 | 9712546215721379880205198722930981765764456553752498583714893468209434114678300794006503493737258022715495010414106901026611101317778912665708128652717527 | 8082674339726429245905191637747723051259684001319565023170064596083331251725948175831737176410077044461705320949378952395615873639230264120389306841376776 | [
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[
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15.53934293,
0
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[
0,
0,
7.57940048
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] | [
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5.769531988328531,
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[
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[
5.769531988328531,
7.596657197784526,
4.225855021565485
],
[
... | [
true,
true,
true
] | Mn6P6 | MnP | AB | [
"Mn",
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] | [
0.5,
0.5
] | [
25,
25,
25,
25,
25,
25,
15,
15,
15,
15,
15,
15
] | 12 | 2 | 3 | [
1,
1,
1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000006969__trajectory_0__frame_28"
] | [
"alexandria_id:agm1000006969"
] | data/MD/9323/MD_8271854223673989720869323.json | null | null | null | {"input": {"ENAUG": 569.085, "ENMAX": 337.5, "PREC": "high", "kpoints": [1, 1, 5]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "82718542236739897208693236995203074319394865461565090849681649740015982676039575990354110559893264693922008970018038577084336368283694... |
PO_1002737511892774913525298 | 10027375118927749135252984477450573670092647856078237737458508282024392989690289968702310770247909559313367140347898964043627626889227462953770651760188847 | 2025-04-25T18:10:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -75.111928 | [
[
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[
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0.00168977
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[
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0.00214951
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[
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[
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-0.... | [
[
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[
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0.00067179
],
[
-0.02368687,
0.00067177,
0.03499173
]
] | false | null | null | null | null | null | 0.037311 | 0.016966 | null | CO_1303583777190005023956409 | 13035837771900050239564096753554430914239422861912536028748604163818606588514595422825179132127755492783464066329253593970661712195785619822883870445520641 | 1553181739478391833678037903558600722044491448603665931861336441236756193319464745816182618036655459775764248956697259970774104656120415285318149534733299 | [
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0
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[
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15.48155517,
0
],
[
0,
0,
4.21055487
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] | [
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[
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[
2.9979805566233946,
5.570831878056291,
0.6266117020483449
],
[
... | [
true,
true,
true
] | Be6O6 | BeO | AB | [
"Be",
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] | [
0.5,
0.5
] | [
4,
4,
4,
4,
4,
4,
8,
8,
8,
8,
8,
8
] | 12 | 2 | 3 | [
1,
1,
1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000016623__trajectory_0__frame_18"
] | [
"alexandria_id:agm1000016623"
] | data/MD/4603/MD_1204640956009469336054603.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 9]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "12046409560094693360546031378026804631473136040283839797599423036369156139992571846141701746455622146570388424255909592355935607097796... |
PO_1002797298714364163591739 | 10027972987143641635917396394680071548289683206811800842438360761666181471719713078315920188842193698202162943032038974439930979048026207681952584904367015 | 2025-04-25T18:10:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -20.107332 | [
[
0.00418261,
0.00291836,
-0.00006919
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[
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[
0.00035518,
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[
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[
0.00079641,
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-0.00036254
],
[
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0.0019... | [
[
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[
0.00291535,
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],
[
0.00235197,
-0.00114924,
0.03976425
]
] | false | null | null | null | null | null | 0.0055 | 0.003528 | null | CO_9095341075683560054045056 | 9095341075683560054045056682215234816319566431341832644176669462109473892506708849932255959600435235611573272890309880194050806256749022466687378246968922 | 11824861022513713597823681101404683737603182951051929046255704393852363278444761602567282148706738156532109725251539273052270965421888847763956183003347109 | [
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[
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16.57703285,
0
],
[
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4.61432895
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] | [
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[
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10.211808144495288,
2.6709517093574697
],
[... | [
true,
true,
true
] | I4Na4 | INa | AB | [
"I",
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] | [
0.5,
0.5
] | [
53,
53,
53,
53,
11,
11,
11,
11
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000015066__trajectory_0__frame_11"
] | [
"alexandria_id:agm1000015066"
] | data/MD/3981/MD_1133296769749908890603981.json | null | null | null | {"input": {"ENAUG": 370.139, "ENMAX": 324.45125, "PREC": "high", "kpoints": [1, 1, 8]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "1133296769749908890603981540949051078083908083294718002913590037339685845244354451576776123309380937916473464744796423916892575002... |
PO_1002750310775814010878821 | 1002750310775814010878821783084277161472389482397946460131655696674158208454415098491446466698035438223509387819763417904268944609854592566995554500761154 | 2025-04-25T18:18:56 | DS_xnio123pebli_0 | 1 | VASP | PBE | -68.812495 | [
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[
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[
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[
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],
[
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0.00083241
],
[
0.00061597,
0.0050... | [
[
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[
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0.001975
],
[
-0.00557567,
0.001975,
0.02367911
]
] | false | null | null | null | null | null | 0.012078 | 0.005927 | null | CO_6060874134260108886826014 | 606087413426010888682601476546844407331231334616776911568769307616717852530104165976935092568121424858256616296975829532398615147887306575848449307215431 | 10901119616265951099932536360702813350232793328368538665131126914535981897190983793569134390189003837815315488841927157254120835676922285693721033748070241 | [
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[
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0
],
[
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5.4943809
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] | [
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[
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[
6.957419087191284,
8.75463364656561,
2.0429422991549373
],
[
... | [
true,
true,
true
] | Fe4O8 | FeO2 | A2B | [
"Fe",
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] | [
0.3333333333333333,
0.6666666666666666
] | [
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8
] | 12 | 2 | 3 | [
1,
1,
1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000006623__trajectory_2__frame_26"
] | [
"alexandria_id:agm1000006623"
] | data/MD/9826/MD_3088125239903230341779826.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 7]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "30881252399032303417798261787402240952647734622262336087994459094409131238016615793271189982711644751800831616035178793476155674614283... |
PO_1002721415451625499978469 | 10027214154516254999784695808356120054747876157720982799733093416010642925659263836694828249038113673796031884168115154853817799562527884468146272652242986 | 2025-04-25T18:27:05 | DS_xnio123pebli_0 | 1 | VASP | PBE | -53.204945 | [
[
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-0.00118385
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[
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[
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[
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[
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0.00019209
],
[
0.00128267,
-0.0019079... | [
[
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[
0.02382708,
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],
[
-0.00942781,
-0.0347595,
-0.02661552
]
] | false | null | null | null | null | null | 0.011239 | 0.005178 | null | CO_4865403261819749212069976 | 4865403261819749212069976009505480649527159971334243923929213431184872378820521158905735632433168525236439194411938844116584143370589981150942351630664389 | 8472718899510728513165798385633908814159266547755562403138277844209233383130531147681037472681996147184548936676248101135819652099478371143177634632744521 | [
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[
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0
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[
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] | [
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[
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[
5.158908570031432,
6.448975412011356,
2.4045568207118326
],
[
... | [
true,
true,
true
] | Fe4P4 | FeP | AB | [
"Fe",
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] | [
0.5,
0.5
] | [
26,
26,
26,
26,
15,
15,
15,
15
] | 8 | 2 | 3 | [
1,
1,
1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000003840__trajectory_0__frame_50"
] | [
"alexandria_id:agm1000003840"
] | data/MD/7141/MD_1309758664894661576007141.json | null | null | null | {"input": {"ENAUG": 578.342, "ENMAX": 366.5475, "PREC": "high", "kpoints": [1, 1, 15]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "1309758664894661576007141614570222401475997945316025800750017586127345721850643213235151389406912539133862396203982495895880216280... |
PO_1002890228597124260838588 | 10028902285971242608385881670891813870810074246471336114409409742230414097006508487682765928551975343077276279195579422755975698615278773286491487870003218 | 2025-04-25T21:24:08 | DS_xnio123pebli_0 | 1 | VASP | PBE | -17.882976 | [
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[
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[
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[
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[
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],
[
-0.00186677,
0.000864... | [
[
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],
[
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],
[
0.00020759,
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]
] | false | null | null | null | null | null | 0.01102 | 0.006104 | null | CO_1183542791062402256963588 | 11835427910624022569635885194262270833000200791810512304369782467949858796145979725556581845653319229573310546207042103237144357997307842313592154559652017 | 8871101833527586830219636473563188184225014047950250957653303694025611631306113210498364280858707867088187089929850531306396311633832644707841411381799155 | [
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[
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0
],
[
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] | [
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[
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[
3.6988192326071565,
6.776094787614277,
11.457520269826338
],
[
... | [
true,
true,
true
] | Cl3K3 | ClK | AB | [
"Cl",
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] | [
0.5,
0.5
] | [
17,
17,
17,
19,
19,
19
] | 6 | 2 | 3 | [
1,
1,
1
] | [
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] | [
"alexandria_id:agm1000002224"
] | data/MD/9382/MD_7851874721216882396959382.json | null | null | null | {"input": {"ENAUG": 427.853, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 3]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "78518747212168823969593824570036651921327700656094647952648525806389923263983386237325962033418403863918526316712046113300679615184582... |
PO_1002884319969740158596755 | 10028843199697401585967550062092144831958176288839749890182211342888731240070917077705657063430031416105661222746361111094904449333660569796921742974036428 | 2025-04-25T21:28:35 | DS_xnio123pebli_0 | 1 | VASP | PBE | -23.842288 | [
[
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],
[
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[
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[
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],
[
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],
[
0.03038616,
0.176635... | [
[
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],
[
0.29687328,
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0.06455501
],
[
-0.12748555,
0.06455501,
-0.91108136
]
] | false | null | null | null | null | null | 0.385701 | 0.286095 | null | CO_1039653659968240822227695 | 10396536599682408222276951106818475308686583880814266176858526921993596421765874583950532479336994567902016674440680566530092811842209883663499573908613038 | 3618291276025759712593121623738038203543967088556725405434048258216223481256749667513916510689542462404567231636279688888298088655525201855979931280394218 | [
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[
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0
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[
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] | [
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[
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8.714084534694456,
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],
[
... | [
true,
true,
true
] | Ag2F6 | AgF3 | A3B | [
"Ag",
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] | [
0.25,
0.75
] | [
47,
47,
9,
9,
9,
9,
9,
9
] | 8 | 2 | 3 | [
1,
1,
1
] | [
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PO_1002871563012069765163435 | 1002871563012069765163435567218639513235923037500880775115777634673382062951632881549097138450988507143091504438507507676069094163047920789563432503626392 | 2025-04-25T21:28:31 | DS_xnio123pebli_0 | 1 | VASP | PBE | -28.304685 | [
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[
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PO_1002851909976830461532723 | 10028519099768304615327237999195939010206619916351682859618284809957805795601799368258480606560296519069215845468716424136064455220917241746177382335327702 | 2025-04-25T21:50:22 | DS_xnio123pebli_0 | 1 | VASP | PBE | -85.496154 | [
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PO_1002847682398092859961866 | 10028476823980928599618661621545947151897492251643196334668439813482566446801258332396545703266121674228425350208451617474542025297370961307344192113619204 | 2025-04-25T19:42:28 | DS_xnio123pebli_0 | 1 | VASP | PBE | -85.134301 | [
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PO_1002876295540804858168540 | 10028762955408048581685400463744249388909021686279034296790683703032582327780776350155495832007679516003553599691620121877842971033165425905350713159739764 | 2025-04-25T16:32:19 | DS_xnio123pebli_0 | 1 | VASP | PBE | -36.868114 | [
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[
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[
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true
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17,
67,
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PO_1002860944433952602996503 | 10028609444339526029965036298577287045766284503638073960125539227747454910737000099360294311050479899368485151059631133392554961109620419762332665275516004 | 2025-04-25T16:40:21 | DS_xnio123pebli_0 | 1 | VASP | PBE | -10.077806 | [
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[
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] | false | null | null | null | null | null | 0.0029 | 0.002351 | null | CO_2258434436250955670318142 | 2258434436250955670318142324096561499275923187708454163008805839124282371636378429513783127402621835380083383125231063835837638541978116596149289282974275 | 2760992687116522434445984523627815722256602943130001504855412609226901944087131189477421588293244349667703852598102984179042431985600316178174602794099082 | [
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true
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0.25
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81,
39
] | 4 | 2 | 3 | [
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PO_1002851939507990984078455 | 10028519395079909840784559380467823292632218103382960671977013002074441113899133834754400302536489382150810101408581014315703136940070868280221312834732366 | 2025-04-25T16:56:35 | DS_xnio123pebli_0 | 1 | VASP | PBE | -32.566943 | [
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[
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true
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] | [
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PO_1002827584383040466127154 | 10028275843830404661271544223735993791145226271530830276305049774166684485210807732767335521253192093178052137237706441907492755801629484107751122326896194 | 2025-04-25T17:04:24 | DS_xnio123pebli_0 | 1 | VASP | PBE | -110.771624 | [
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[
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[
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PO_1002828411608829192250654 | 10028284116088291922506548486623612508809564650191070049819025218816599669230568972638000293047389008282561619121854422152308916638137694249936118286063730 | 2025-04-25T17:04:24 | DS_xnio123pebli_0 | 1 | VASP | PBE | -85.189386 | [
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PO_1002896932718112482894200 | 10028969327181124828942009072464941141368571257788132165660588324907710295291130222243011872312023729088643185753536706825059582626803109139312365526293743 | 2025-04-25T18:02:23 | DS_xnio123pebli_0 | 1 | VASP | PBE | -20.891672 | [
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PO_1002851538733952500745385 | 10028515387339525007453858461727928614703292867559083117974649601655953154931783205667533811728892816544811958332837801838816418005019197423842727560756862 | 2025-04-25T18:02:23 | DS_xnio123pebli_0 | 1 | VASP | PBE | -61.765983 | [
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PO_1002855663556317410634635 | 10028556635563174106346350196832160093628529615741991813153746174016894507162511859871444143008839335399170188867208550308059287442579673557602476660764312 | 2025-04-25T18:10:34 | DS_xnio123pebli_0 | 1 | VASP | PBE | -30.341284 | [
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PO_1002889896822782580486797 | 1002889896822782580486797271476359592637875270510925071144752961043432342773665318454594919129575271862586326319777637563659311001892414192883771428689710 | 2025-04-25T18:18:56 | DS_xnio123pebli_0 | 1 | VASP | PBE | -33.565498 | [
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[
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true
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16,
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PO_1002861917478613460265277 | 10028619174786134602652772980025513837389465645616529217217705853037175378099435013364092537374643211110094214381740889348170009751284630327838327720528893 | 2025-04-25T18:27:05 | DS_xnio123pebli_0 | 1 | VASP | PBE | -21.567218 | [
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[
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PO_1002826087589127158743327 | 10028260875891271587433275544737199962014737691099263186969775330856832612013743527860847013948808607032500958099003997566403856720210556536731564985651295 | 2025-04-25T18:35:38 | DS_xnio123pebli_0 | 1 | VASP | PBE | -67.252007 | [
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[
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PO_1002842527060014357321049 | 10028425270600143573210496800779743023586069024653177528974917837908295833163286195685435068559712291618913909763436420026901984185472234792341729615279167 | 2025-04-25T18:35:38 | DS_xnio123pebli_0 | 1 | VASP | PBE | -65.410915 | [
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PO_1002813392935804155901374 | 10028133929358041559013742658332482113232749617024585194794155069967934520959939116822221635241465648538211692457555912351974375227213325070127078293639669 | 2025-04-25T18:44:04 | DS_xnio123pebli_0 | 1 | VASP | PBE | -80.584968 | [
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[
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[
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PO_1002841547783784303634560 | 10028415477837843036345602159611430798440623442748543982252008241551911580270961400164767565986389320489851050470007631745287187427297811312808113342222048 | 2025-04-25T21:54:45 | DS_xnio123pebli_0 | 1 | VASP | PBE | -25.645025 | [
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PO_1002858070369705627855877 | 10028580703697056278558771555569706804587830285523323424352773619061557873385782214683263115912174344400036794535087082613839950915474924204002664120001292 | 2025-04-25T22:08:21 | DS_xnio123pebli_0 | 1 | VASP | PBE | -24.535105 | [
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[
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PO_1002809476440653175810653 | 10028094764406531758106537295507993404778941017005943874978116685662751928427026258863945050033971953306538773303195212524080900458122671727371253100784218 | 2025-04-25T19:58:44 | DS_xnio123pebli_0 | 1 | VASP | PBE | -95.135237 | [
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[
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PO_1002844126376682634126161 | 10028441263766826341261617542015571097828363073204350198612601116623929774399923311521165460272551091293387646914216605512242513005840684358868406976193191 | 2025-04-25T19:58:44 | DS_xnio123pebli_0 | 1 | VASP | PBE | -95.778432 | [
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[
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[
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true
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33,
33,
33,
33,
33,
33,
63,
63,
63,
63,
63,
63
] | 12 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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PO_1002873225690530102861503 | 10028732256905301028615034173778090205437258293146731171815112281673133688195213012101226813091469450728480510762694004554216937692788485980705767572061390 | 2025-04-25T20:06:44 | DS_xnio123pebli_0 | 1 | VASP | PBE | -21.271952 | [
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[
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[
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true
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17
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PO_1002893316230977673748223 | 10028933162309776737482234793858991353922153285761150018871244934311109161112020624380689256333786494450222889654502203269356096873934150751461512210550846 | 2025-04-25T20:06:44 | DS_xnio123pebli_0 | 1 | VASP | PBE | -64.445316 | [
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[
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[
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true,
true
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PO_1002854590835980127291623 | 10028545908359801272916238339475886588766249736924232252794908864389786233399166236328793952324516395827001758371476514156036468485072938861529050070090381 | 2025-04-25T20:25:59 | DS_xnio123pebli_0 | 1 | VASP | PBE | -95.525977 | [
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[
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] | false | null | null | null | null | null | 0.151299 | 0.074957 | null | CO_4396428663227454114753184 | 4396428663227454114753184869966464133452547519945672709080005207899906621021678147287065473462795941199587780498737711975376816788707563595921544721829693 | 6323625727160859681570083552303999728765824784589185432792938320518494883969724692661563621862466705137147638051172807904006306505714754513359805941639275 | [
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[
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true,
true
] | Mg9O9 | MgO | AB | [
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12,
12,
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] | 18 | 2 | 3 | [
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PO_1002856138193841799037420 | 10028561381938417990374208343118923788370839361799882077662826904893113648500595642513142087193445660443857264539116167154346390151036095282204153094478052 | 2025-04-25T20:25:59 | DS_xnio123pebli_0 | 1 | VASP | PBE | -119.698177 | [
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[
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[
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] | false | null | null | null | null | null | 0.009654 | 0.003778 | null | CO_2029539085081033995956645 | 2029539085081033995956645840996528066144603268530917653827876712352370875635547242062522187775963004506204966181285550578346066899339591918171628398827645 | 9544106739530744386454139860525278317855645076153261383312713020581268037912160305251723858410534321056471629356332908633788969811658789778609992821805405 | [
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[
... | [
true,
true,
true
] | O12Pd12 | OPd | AB | [
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0.5
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46,
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46,
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46,
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] | 24 | 2 | 3 | [
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] | [
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] | [
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] | data/MD/9478/MD_4856315457008499571649478.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 6]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "48563154570084995716494781417967230781737077534604544018875373737319739198077051809903384512827872299078418162473676300339921421333279... |
PO_1002895354544928697643608 | 10028953545449286976436088479285991180535516488875540404061672836913868072113631129026030957155748050858240835418887006019268942354904761958380604111225179 | 2025-04-25T20:25:59 | DS_xnio123pebli_0 | 1 | VASP | PBE | -109.330172 | [
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[
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0.004541... | [
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] | false | null | null | null | null | null | 0.047091 | 0.024176 | null | CO_6965160051874944150959466 | 6965160051874944150959466648634112874394775928565183303044302229169322240732776411217506199443738827478961195461654992143257297193602700161608367258807061 | 10290601235834062206986023157404484368554044385663379655286136439365864062913597723890828348607237231134383677410309107142514723664023006023722508516998254 | [
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[
... | [
true,
true,
true
] | N9Pd9 | NPd | AB | [
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7,
7,
7,
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46,
46
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1,
1,
1
] | [
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PO_1002889416916716881625787 | 10028894169167168816257875179445159244892045828267822596990876605731348055767184780657176516931204679129351685993714740300794051448789425552363263619894739 | 2025-04-25T14:40:21 | DS_xnio123pebli_0 | 1 | VASP | PBE | -87.629238 | [
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[
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[... | [
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true
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15,
15,
15,
15,
15,
15,
23,
23,
23,
23,
23,
23
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1,
1,
1
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PO_1002843317013418265076271 | 10028433170134182650762714661153590838180876683397541928203008113184515763103960931845395015806117952153982209520892378758866469223292049231167065565223092 | 2025-04-25T15:04:49 | DS_xnio123pebli_0 | 1 | VASP | PBE | -32.371436 | [
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[
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[
5.3... | [
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true
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47,
47,
47,
47,
47,
47,
17,
17,
17,
17,
17,
17
] | 12 | 2 | 3 | [
1,
1,
1
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PO_1002802534931166415064530 | 10028025349311664150645300315174345325329395134773396179765696838425149617960388631944968662168803475996625387472642954958409374585699573660812140598347640 | 2025-04-25T15:21:11 | DS_xnio123pebli_0 | 1 | VASP | PBE | -49.072341 | [
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[
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[
... | [
true,
true,
true
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0.5
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25,
25,
25,
25,
52,
52,
52,
52
] | 8 | 2 | 3 | [
1,
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1
] | [
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] | [
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] | data/MD/6617/MD_3957920199687008016146617.json | null | null | null | {"input": {"ENAUG": 569.085, "ENMAX": 337.33125, "PREC": "high", "kpoints": [1, 1, 12]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "395792019968700801614661784416208169453514542727217000205400054997239561437330228069506105980560897383792335866322491625195710558... |
PO_1002893826240560771817612 | 10028938262405607718176125459850596679645954566763756780770055343779166181964597589473928974417606702877722711668998697981142077374949357404936238057626233 | 2025-04-25T15:21:11 | DS_xnio123pebli_0 | 1 | VASP | PBE | -22.482669 | [
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[
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[
0.00358962,
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[
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[
... | [
true,
true,
true
] | Pd2Se4 | PdSe2 | A2B | [
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0.6666666666666666
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46,
46,
34,
34,
34,
34
] | 6 | 2 | 3 | [
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1
] | [
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] | [
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] | data/MD/3510/MD_7048201203147426270073510.json | null | null | null | {"input": {"ENAUG": 446.842, "ENMAX": 313.65625, "PREC": "high", "kpoints": [1, 1, 5]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "7048201203147426270073510468502476676158279197024341225460994797593706622367707103517407234894549407271533896056581392070941508651... |
PO_1002813894925690605844544 | 10028138949256906058445441452603749374699794940146868460881070490896538377841477132701936742940314839132336931933628726561800399533878197990277784169933084 | 2025-04-25T15:29:01 | DS_xnio123pebli_0 | 1 | VASP | PBE | -34.816366 | [
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[
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[
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[
0.01525411,
0.00582... | [
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[
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],
[
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]
] | false | null | null | null | null | null | 0.035322 | 0.023348 | null | CO_7932290991344512565562089 | 7932290991344512565562089780509498851314571251211438024095926463086055054510916138831147169381993461750154072838381742769752935312312640931397228498497456 | 13102591120330241599022411049861639344146206505731947331120446327820602697501718687476053023963703795067480837727243774767992919644502283121988639446073866 | [
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[
... | [
true,
true,
true
] | O4Pt3 | O4Pt3 | A4B3 | [
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] | [
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0.42857142857142855
] | [
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78
] | 7 | 2 | 3 | [
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1,
1
] | [
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] | [
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] | data/MD/5013/MD_2477569314207001681355013.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 11]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "2477569314207001681355013097707224732721572538081822314511608705339632344245165979400589396567850955661672248195693982640843752328702... |
PO_1002883446957085568346621 | 10028834469570855683466210373082447983927875167371901873636505337112471747131947436585338590508503666435218353887901159662462989830123205307733522494506892 | 2025-04-25T15:37:10 | DS_xnio123pebli_0 | 1 | VASP | PBE | -71.900071 | [
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[
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[
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0
],
[
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0
],
[
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] | false | null | null | null | null | null | 0.025348 | 0.0158 | null | CO_3764637723781414701177940 | 3764637723781414701177940706750288092719335804854388198448675080521511892715385004141103428539548266295669679188420493024703977873574026743601024043467560 | 13211802521244083901401515739181747888878020017032153707940475288195428156758022413243035914246558581043421627781513437390971570052738342859141632034388609 | [
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[
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[
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[
... | [
true,
true,
true
] | Eu4S6 | Eu2S3 | A3B2 | [
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] | [
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0.6
] | [
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63,
63,
63,
16,
16,
16,
16,
16,
16
] | 10 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/8433/MD_4135514921680932394318433.json | null | null | null | {"input": {"ENAUG": 549.628, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 4]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "41355149216809323943184331808609087030948654608999699966420333162726080597999375006485036760919120156927351824088795527367162694483103... |
PO_1002882822180067186562610 | 10028828221800671865626102316347433369150353015301034130764869977446576860885958260278182106377562234049607414233380564001135949184467414599912667938721205 | 2025-04-25T15:45:13 | DS_xnio123pebli_0 | 1 | VASP | PBE | -70.114432 | [
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[
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[
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... | [
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[
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],
[
0.38331308,
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] | false | null | null | null | null | null | 0.432054 | 0.250742 | null | CO_6527598660495954570629548 | 6527598660495954570629548161696510430574653960765610186874509547909440544763945581442647307999541873698033039097225147501179102631206060269048180373040005 | 11328322946251668580511386339130162645310939859228218044384246573348286974463683093618044242578394386797095196874009788971234506842460183054294341114152384 | [
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[
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[
... | [
true,
true,
true
] | Mn5O5 | MnO | AB | [
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] | [
0.5,
0.5
] | [
25,
25,
25,
25,
25,
8,
8,
8,
8,
8
] | 10 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/9826/MD_3088125239903230341779826.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 7]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "30881252399032303417798261787402240952647734622262336087994459094409131238016615793271189982711644751800831616035178793476155674614283... |
PO_1002851544042716677234189 | 10028515440427166772341890786105275152684705456241122867073521058474362872948041981738989052438287933392810766477633127924570961401206243447424041615978783 | 2025-04-25T16:00:55 | DS_xnio123pebli_0 | 1 | VASP | PBE | -15.959305 | [
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[
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] | false | null | null | null | null | null | 0.012195 | 0.009192 | null | CO_4967126537306890095089948 | 4967126537306890095089948709082672753054302405268634297003958316767402561889574769759630837043310618608377594943650536566678252778161001191614254382884425 | 12693715305104808006319054983517854910713088305528510163543994859604506578986170284544083970987461565586168279511698344102590308370831738673992405180475533 | [
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[
... | [
true,
true,
true
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0.6666666666666666,
0.3333333333333333
] | [
37,
37,
37,
37,
16,
16
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1
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] | [
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] | data/MD/4724/MD_9092098946776501769634724.json | null | null | null | {"input": {"ENAUG": 423.861, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 4]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "90920989467765017696347247544932493482013460377298125931778812391499648500481379345031401746711090924011142328807352298804837175592191... |
PO_1002889561377609498012783 | 10028895613776094980127835373890714079453574737067842447086184343445288784349910965384604283646398990997296600430775953081329220427699466375787585492556899 | 2025-04-25T17:12:33 | DS_xnio123pebli_0 | 1 | VASP | PBE | -30.84922 | [
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[
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0.0047... | [
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0
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[
0,
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] | false | null | null | null | null | null | 0.017306 | 0.011599 | null | CO_9585729982243203619248829 | 9585729982243203619248829094857923588859410456470328355835374798141762469904565168126253136843711855788440806269447018989882402311404732255885630153137019 | 6851361931170140361287493097863912246836440220768410805144627649189504239025789824565442434879235050034000598587940922993261202857144005108690861461703874 | [
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[
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... | [
true,
true,
true
] | Cl5Rb5 | ClRb | AB | [
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0.5,
0.5
] | [
17,
17,
17,
17,
17,
37,
37,
37,
37,
37
] | 10 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/2564/MD_1027180803636538460372564.json | null | null | null | {"input": {"ENAUG": 423.861, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 7]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "10271808036365384603725647351267434574262684983839894637919507359400178449973767807427759619670836783040932782155488941603133084698672... |
PO_1002805550576880036652675 | 10028055505768800366526754036427242844377726547853156903761780722393240184694557845477249513714993029974189836065848728921596001646135668020148089382403671 | 2025-04-25T17:20:29 | DS_xnio123pebli_0 | 1 | VASP | PBE | -65.06146 | [
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[
0,
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[
0.01558243,
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... | [
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0
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[
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0
],
[
0,
0,
0.35262078
]
] | false | null | null | null | null | null | 0.082157 | 0.043369 | null | CO_1091553753633316738812049 | 10915537536333167388120490517760264398690164797591574257258911033713813285285125309830469453722017708076133677478271876607751717213433661212508459104248256 | 9063997992391959250570399298205818451819643680677617720193840845817559577614081717392276969550703157606900659873017329417528604362818031705512969475764417 | [
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[
4.43945... | [
true,
true,
true
] | Nb5Se5 | NbSe | AB | [
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] | [
0.5,
0.5
] | [
41,
41,
41,
41,
41,
34,
34,
34,
34,
34
] | 10 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/9009/MD_5136285093751860587899009.json | null | null | null | {"input": {"ENAUG": 446.842, "ENMAX": 264.4175, "PREC": "high", "kpoints": [1, 1, 8]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "51362850937518605878990098006517729256083304596232599004682207296007749999515120229521952714168947858643500743505963990979459170424... |
PO_1002895820182454342849599 | 10028958201824543428495999602913507624862504503521698558835687407982715706939102146633123762030916708394439513646199878141746435069493020423411428089707944 | 2025-04-25T17:20:29 | DS_xnio123pebli_0 | 1 | VASP | PBE | -20.285996 | [
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[
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[
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0
],
[
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] | false | null | null | null | null | null | 0.007056 | 0.003681 | null | CO_6196326949394136730222617 | 619632694939413673022261746271383847827011011597332448221378652746145197028123781495011859838589691091944846814861492755231198254825776384236356001591633 | 11151468689003233731851566873024270483385151473834952615503301079069035086056976833075221907764765480605359115680359554166486893656186309513401598532885602 | [
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[
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[
7.... | [
true,
true,
true
] | Au4Br4 | AuBr | AB | [
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] | [
0.5,
0.5
] | [
79,
79,
79,
79,
35,
35,
35,
35
] | 8 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/0325/MD_5614423809605854757190325.json | null | null | null | {"input": {"ENAUG": 503.852, "ENMAX": 287.435, "PREC": "high", "kpoints": [1, 1, 10]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "56144238096058547571903250443513321467395999567243773115815013825740109573759090707709461344325034674807004911551124252291378594768... |
PO_1002830738158638378656140 | 10028307381586383786561401489535646677541719382600001731281061328137741982400829374859999123973142290800392924235712011190557358600807610426337634374107226 | 2025-04-25T17:37:22 | DS_xnio123pebli_0 | 1 | VASP | PBE | -13.619728 | [
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[
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],
[
0.00851059,
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0.01190437
]
] | false | null | null | null | null | null | 0.048221 | 0.035609 | null | CO_1232891150568181593964214 | 12328911505681815939642148412607084186605224519042578391143259730756684139385945300749264073485715624651578875216287756361223962213473820983974633613593748 | 113669322158033903344018741736125716136879889037754890629174251960734049378536093242912343109317990188485207317618813329951537027042885133508627863226703 | [
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[
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[
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] | [
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[
2.917378191847195,
6.826642008842289,
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] | [
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true,
true
] | Cd2O2 | CdO | AB | [
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] | [
0.5,
0.5
] | [
48,
48,
8,
8
] | 4 | 2 | 3 | [
1,
1,
1
] | [
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] | [
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] | data/MD/8074/MD_5702528235642268392818074.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 10]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "5702528235642268392818074792522618755431932474015264372354570429532976418129735142673608585026395025795810362261564888621923858569196... |
PO_1002898221434258214448300 | 10028982214342582144483005047299232596556008776650955185524567885396930133437959588092195841991258587492913166486384931534507047186249461777933621596452129 | 2025-04-25T17:54:06 | DS_xnio123pebli_0 | 1 | VASP | PBE | -45.417452 | [
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[
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[
0.00978465,
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],
[
0.05865546,
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]
] | false | null | null | null | null | null | 0.130967 | 0.050639 | null | CO_4134081934999991883821767 | 4134081934999991883821767447282118946816001068024853617918707781075051647776577202761557727334852107835476304508143623629100573412301892367395644697350856 | 5027444378969929352255402825303737273555676493866548677174201025718366820467116074535023577703587456951695456251669843227792707750261712523988260196729937 | [
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[
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[
... | [
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true,
true
] | F10Rh2 | F5Rh | A5B | [
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0.16666666666666666
] | [
9,
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9,
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9,
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9,
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45,
45
] | 12 | 2 | 3 | [
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1
] | [
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] | [
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] | data/MD/5211/MD_9112468938894824890845211.json | null | null | null | {"input": {"ENAUG": 613.614, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 7]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "91124689388948248908452118269099047255395895356642321872266944221836722701208400628429108023273670607031761516715499012436768605737703... |
PO_1002844677636997396336240 | 10028446776369973963362404254588111316998424051813353106167468251331304989148923735875750499920474895755587641937928403448931230953923405299887054531889389 | 2025-04-25T20:51:43 | DS_xnio123pebli_0 | 1 | VASP | PBE | -159.964086 | [
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[
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[
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],
[
0.00741888,
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]
] | false | null | null | null | null | null | 0.010628 | 0.004304 | null | CO_9678369763013768112182989 | 9678369763013768112182989173962812348085607292542793943631355568629581410795368297475774773111397264515140343896346622336252385342207990121252548487488600 | 3722789037062488003885065589803630949000177761063446451405202086240112874456851835296855899221625931628360418249350364890303826955471717392994402879656029 | [
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[
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] | [
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[
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[
8.8... | [
true,
true,
true
] | F20K20 | FK | AB | [
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] | [
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19,
19,
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19,
19,
19,
19,
19
] | 40 | 2 | 3 | [
1,
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1
] | [
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] | [
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] | data/MD/0977/MD_1149413590045152586360977.json | null | null | null | {"input": {"ENAUG": 613.614, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 4]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "11494135900451525863609772867486212370917707472380351904202993956355827916569233058218150678893686952891796667296346865405862632856013... |
PO_1002891181265502795377315 | 10028911812655027953773154259308606817715502709208290528676054943847323627576449743476381971108118558177844655682146446956302738989205294219461505520285979 | 2025-04-25T20:57:17 | DS_xnio123pebli_0 | 1 | VASP | PBE | -51.246255 | [
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[
0.0003559,
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[
... | [
true,
true,
true
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0.5,
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17,
17,
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19,
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1,
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1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000019616__trajectory_0__frame_114"
] | [
"alexandria_id:agm1000019616"
] | data/MD/1690/MD_3020344899618471238241690.json | null | null | null | {"input": {"ENAUG": 427.853, "ENMAX": 350.0, "PREC": "high", "kpoints": [1, 1, 4]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "30203448996184712382416903750809064908755976937617255944515234815672837672631341013944094319360901990013796037917519949538554979383569... |
PO_1002836983888975155031615 | 10028369838889751550316153694688571128968621829379387662978489101082897447917324654596133694828859985076233560932125758323715590617679957270567811566000615 | 2025-04-25T21:09:47 | DS_xnio123pebli_0 | 1 | VASP | PBE | -47.360228 | [
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[
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[
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[
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[
0.00096769,
0.0386738,
0.00720053
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[
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0
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[
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[
3.346701106104055,
8.73235982460568,
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[
... | [
true,
true,
true
] | O6Rb12 | ORb2 | A2B | [
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0.3333333333333333,
0.6666666666666666
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8,
8,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37,
37
] | 18 | 2 | 3 | [
1,
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1
] | [
"alexandria_1d__file_alex_go_aaa_000__id_agm1000019614__trajectory_0__frame_62"
] | [
"alexandria_id:agm1000019614"
] | data/MD/2178/MD_1248557182380155369062178.json | null | null | null | {"input": {"ENAUG": 605.392, "ENMAX": 500.0, "PREC": "high", "kpoints": [1, 1, 4]}, "property_keys": {"atomic-forces": "forces", "cauchy-stress": "stress", "energy": "energy"}, "hash": "12485571823801553690621782736777240536163220490228343596998902005588141628440758254907491047212161688808310202039394989579472825514584... |
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