property_id string | property_hash string | last_modified timestamp[us] | dataset_id string | multiplicity int32 | software string | method string | energy float64 | atomic_forces list | cauchy_stress list | cauchy_stress_volume_normalized bool | electronic_band_gap float64 | electronic_band_gap_type string | formation_energy float64 | adsorption_energy float64 | atomization_energy float64 | max_force_norm float64 | mean_force_norm float64 | energy_above_hull float64 | configuration_id string | configuration_hash string | structure_hash string | cell list | positions list | pbc list | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements list | elements_ratios list | atomic_numbers list | nsites int32 | nelements int32 | nperiodic_dimensions int32 | dimension_types list | names list | labels list | property_metadata_path string | configuration_metadata_path string | hash string | configuration_metadata string | property_metadata string |
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PO_4404607514183336355810884 | 4404607514183336355810884409925289719735508914248322008877318028686848110417903489886565180684698114306137708890203603034724272082320429986443581891286050 | 2025-04-16T16:31:33 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -4.072891 | [] | [] | null | null | null | null | null | null | null | null | null | CO_4348483710407541355533887 | 4348483710407541355533887379582540648260363273257447764775676750226861995512125140946830156928672066860059644701951340125576410960761963832628385286261042 | 4348483710407541355533887379582540648260363273257447764775676750226861995512125140946830156928672066860059644701951340125576410960761963832628385286261042 | [
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PO_4380748954251494272143191 | 4380748954251494272143191937500172433234304085253026203645610945458060515333369733802629143151736036398902782088282585033462834618471687241659040250500345 | 2025-04-16T17:07:30 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.799016 | [] | [] | null | null | null | null | null | null | null | null | null | CO_3664605555420839566486450 | 3664605555420839566486450330460062077885139819459525261067879885580510929985211502547733638884507362841492776244586140827111029001269130194972666031256738 | 3664605555420839566486450330460062077885139819459525261067879885580510929985211502547733638884507362841492776244586140827111029001269130194972666031256738 | [
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13
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PO_4385209060167512196201509 | 4385209060167512196201509046440658142927345211246347116523700523481228267286764800396092167430163676706065240868917054789039080773055360975789268373310572 | 2025-04-16T16:08:59 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -5.753641 | [] | [] | null | null | null | null | null | null | null | null | null | CO_7004561576489749360064379 | 7004561576489749360064379374609918044810188204356010384680718718583206858747076612944851889664957549583307824805668186069669153178938199899328883826230095 | 50076057926870634096702566328929496712994333404703443521573315677657986759021805374351384060705744808982299589565854581911428279933800555332821974986791 | [
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[
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28
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PO_4801445048667685312634122 | 4801445048667685312634122569235548519167986983620380284068368122965557655899110708039918260217226407144717361560420569037551395060850349095910467683282903 | 2025-04-16T21:12:08 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.890686 | [] | [] | null | null | null | null | null | null | null | null | null | CO_2664867990312866131033718 | 2664867990312866131033718672909572178267639349749609821090186388214266188019559831205842877628189061185725378155059953841034352856844154934945499871843837 | 496617975487540672144252623656926965902913772255077832869805383709328331721386207800835385969249066454354999536768399121069161704082087199406296861854413 | [
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[
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] | [
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true,
true
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"Al"
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13,
13,
13
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1,
1,
1
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PO_4430521728736538127520316 | 4430521728736538127520316251328509941749738039009345161792890473453996583220909830033269606653152902030653239577489059341400414151039730980453125420389909 | 2025-04-16T16:49:30 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -4.127622 | [] | [] | null | null | null | null | null | null | null | null | null | CO_3989927272214796677396188 | 3989927272214796677396188858508749232796421837468753861294244887470859434308456154829867165113000034361123313705916370591606417588148137149735546903429207 | 3989927272214796677396188858508749232796421837468753861294244887470859434308456154829867165113000034361123313705916370591606417588148137149735546903429207 | [
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[
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] | [
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"Al"
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13,
13
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1,
1,
1
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"AlNiCuData_182"
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PO_4412964056315616160582230 | 4412964056315616160582230323698102683274828113094252743433145546071972170199881112927013344788642911841406170915867795731472559794508397298041247459331014 | 2025-04-16T16:09:45 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.560133 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1352540895296758439430334 | 1352540895296758439430334755810487440386867038048741142785742873322895292878803056615581601609844759263173341318276468860252566837836533502169897891407410 | 8283748808477749972707623848289354089094912439433963149480095390911486574061491504754528625449761640480677647483601664513562834744372225032420472961974608 | [
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[
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[
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true,
true,
true
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"Al"
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1
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13,
13,
13,
13,
13,
13,
13,
13
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1,
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PO_4418061278166777626093746 | 4418061278166777626093746977299777889815107062235458136619465075993927448318296231378474159758958982928094976738648079620340394383304556668613310714831334 | 2025-04-16T18:47:54 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -5.048012 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1377702103520766412394591 | 1377702103520766412394591045152984477402996932430835664518372314099786729790603931891789755244379820559286194861624942116443298846773864639491238747953706 | 1377702103520766412394591045152984477402996932430835664518372314099786729790603931891789755244379820559286194861624942116443298846773864639491238747953706 | [
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PO_4420739362014971077833615 | 4420739362014971077833615280895876003783158427189827665442348418896431533773798851642006932155345729146490121346254473744144902327567038179517209421212135 | 2025-04-16T16:26:20 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -5.763556 | [] | [] | null | null | null | null | null | null | null | null | null | CO_9201540449666546888338305 | 9201540449666546888338305891756716472658480392025349341415496958499669984807762686131254101718231501296892132504895809253796395116290484239640789666380949 | 2631953457310855194184014731404595154529239684020688483171611237347486911920312308461328932258792632486778869676155355457426393202744241333690208553856224 | [
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[
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28
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1,
1
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PO_4411743180122070411949687 | 441174318012207041194968730678812768406207032932395913492861536761782325110813316471555565379703886018954352677025502432024179502890205149821022708184617 | 2025-04-16T20:16:40 | DS_vmnudsz7kx0a_0 | 1 | exciting | DFT | -45,035.740548 | [] | [] | null | null | null | null | null | null | null | null | null | CO_7312916068466107730275202 | 7312916068466107730275202339341803388287371416473334610876968756658162792891963632335895033280251260839243562775093788764506484850364494159766326721640189 | 7312916068466107730275202339341803388287371416473334610876968756658162792891963632335895033280251260839243562775093788764506484850364494159766326721640189 | [
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[
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[
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] | [
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29,
29,
29
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1,
1,
1
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PO_4836360888301534937328997 | 4836360888301534937328997446806461881121407772367452021250120071663349119063226659360033217412377892342345535890581745785365015578578860015062873633443546 | 2025-04-16T21:14:40 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.725588 | [] | [] | null | null | null | null | null | null | null | null | null | CO_1044730351170246778968037 | 10447303511702467789680378440544458354917987553733770620434810236768482161575847255666546240127596965274773887886219683129084783291326463239211395503066620 | 11792671692325706929399523092368009598537985652103733618846748483991681068927374975862474481685777965334128227996046983610631932550192694476492409455503765 | [
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[
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13,
13,
13
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] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4809339924141539738761224 | 4809339924141539738761224049420913590299666325365773208500083501114527749659724997615515757227243022005161460405292644484607758285872501886939881790627491 | 2025-04-16T16:28:49 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.684096 | [] | [] | null | null | null | null | null | null | null | null | null | CO_8398477993098422474698080 | 839847799309842247469808077346680035038510437422485859014914882088816610490346890081507319720070534574392627035676896945808132817971844917988204558981981 | 4328749045606785418504328505294999133930966801323107417458713859998095057938323777455396997978702854585546781991239687095973202733755713296103209272800412 | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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] | [
[
6.10902075,
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0.38055073
],
[
0.37208579,
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0.37208579
],
[
1.36488377,
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],
[
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],
[
3.11031827,
0.87271725,
1.36488377
],
[
3.87141973,
4.36358625,
... | [
true,
true,
true
] | Al20 | Al | A | [
"Al"
] | [
1
] | [
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | 20 | 1 | 3 | [
1,
1,
1
] | [
"AlNiCuData_142"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4812237139907872994592921 | 4812237139907872994592921437021707125068792198497504164197804149168040373741178462922281344690075159740169900105387922768997001413655723555141965199751353 | 2025-04-16T21:26:02 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -20.292798 | [] | [] | null | null | null | null | null | null | null | null | null | CO_7587267129471994791282578 | 7587267129471994791282578984298259035040465682978604773941224352678224686598327262897944999184923422168024066090338281644578172208168069413158374664206663 | 11331557905808840371172809529947937461780083073404586225685075559710786408022528536725228069972673962334793137266098236523274754037538537850335158179174011 | [
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0
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[
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0
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[
0,
0,
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[
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[
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[
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[
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],
[
0,
1.6431773,
9.06422603
],
[
0,
... | [
true,
true,
true
] | Cu8Ni2 | Cu4Ni | A4B | [
"Cu",
"Ni"
] | [
0.8,
0.2
] | [
29,
29,
29,
29,
28,
29,
29,
29,
29,
28
] | 10 | 2 | 3 | [
1,
1,
1
] | [
"AlNiCuData_976"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4844339000835941985185648 | 4844339000835941985185648902633292051485748376227012210120130554207599681819883431326824973167283155125371275810712535388419701697482863706608667131820110 | 2025-04-16T21:57:13 | DS_vmnudsz7kx0a_0 | 1 | exciting | DFT | -6,607.50755 | [] | [] | null | null | null | null | null | null | null | null | null | CO_9815565054998429305957835 | 9815565054998429305957835725066324564268441863302474995754966475998177064716791595611906116363159469559740948204882196290246508245926245737292759002250443 | 9815565054998429305957835725066324564268441863302474995754966475998177064716791595611906116363159469559740948204882196290246508245926245737292759002250443 | [
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0
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[
0,
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0
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[
0,
0,
4.106454361327067
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] | [
[
0,
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[
0,
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2.05322718
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[
2.05322718,
0,
2.05322718
],
[
2.05322718,
2.05322718,
0
]
] | [
true,
true,
true
] | Al4 | Al | A | [
"Al"
] | [
1
] | [
13,
13,
13,
13
] | 4 | 1 | 3 | [
1,
1,
1
] | [
"AlNiCuData_48"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4881263125411105560904363 | 4881263125411105560904363294409162286297494487431413674583663922414521952107722582482418541692224177730185464457596282743249321844883001605082146898362187 | 2025-04-16T16:09:56 | DS_vmnudsz7kx0a_0 | 1 | VASP | DFT | -3.815273 | [] | [] | null | null | null | null | null | null | null | null | null | CO_2139269624805027607277759 | 2139269624805027607277759915048803660331305993425439561070430663826586485310566950565143745732302760558339706345952085515026986310029172283460987482356989 | 2658962204397270003732015775147231984370216789633988389744815082867008011708979619764026466340433130111753771804593666103544059443170980622482284048782011 | [
[
2.493703501692415,
0,
0
],
[
0,
2.493703501692415,
0
],
[
0,
0,
8.23934368
]
] | [
[
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],
[
0,
0,
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],
[
0,
0,
1.17794312
],
[
1.24685175,
1.24685175,
2.94172872
]
] | [
true,
true,
true
] | Cu4 | Cu | A | [
"Cu"
] | [
1
] | [
29,
29,
29,
29
] | 4 | 1 | 3 | [
1,
1,
1
] | [
"AlNiCuData_711"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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