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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29
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PO_4913443354195901537644162 | 4913443354195901537644162680842089435310520422414269436905153232582438746692003719383761737152762208282562528797966770395544253224682433063545780607142079 | 2025-04-16T18:44:20 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -101.873785 | [
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[
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-1.66... | [] | null | null | null | null | null | null | 6.571395 | 3.565341 | null | CO_5233376394996952371645890 | 5233376394996952371645890010771584847716523871134472544898557719918648597615833503543556308784747957488845295213268700004981306078180411458792632817927945 | 8290109092490998999231561052507149301772421405632289570199279906110274745340096692932877374466162673027449883261574939884749279639517114744003554657175246 | [
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[
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... | [
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1,
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1,
1
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1
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] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4913573381158393967571343 | 4913573381158393967571343236861270944798913145027458816285739094246648743029536857491198737983613128212814576496948233823631223640294052467470608357798339 | 2025-04-16T21:43:16 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -126.794398 | [
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[
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[
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[
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-0.1239... | [] | null | null | null | null | null | null | 6.976654 | 3.065108 | null | CO_1337923352944263137254858 | 1337923352944263137254858581494510435969883336044126127494646576171058552342482425991000964006888822271035510001069493667982549460925924033819896749350170 | 6421290789444657287161360128846654969921078984114868448099701770128768012728793956182480150079443683642808707858220032321478189019584495878560323310899624 | [
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[
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1... | [
true,
true,
true
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8
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1
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"hme21_train_8431"
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PO_4913250301821380631151154 | 4913250301821380631151154823586070671402517533728675244935165285253664863015202113954935871439894632468205125515437505960313812116392187640206736410528605 | 2025-04-16T17:21:01 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -93.728609 | [
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[
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0.28793... | [] | null | null | null | null | null | null | 4.941046 | 2.003769 | null | CO_1310881432574569765719908 | 13108814325745697657199084652549892955251201301229009279744454170032811741184295414134146457536878621530064443343908882319114537483650897527702275759886693 | 10304669721740906176654846340696878538790624927622786951402167671562859267493984099094868265355497816412335363464813690684530745251399945067186511425641629 | [
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[
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... | [
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true,
true
] | Ag8In8Ni8Rh8 | AgInNiRh | ABCD | [
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"Rh"
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0.25,
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0.25
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47,
47,
47,
47,
47,
49,
49,
49,
49,
49,
49,
49,
49
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_train_2562"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4915266819245911580407979 | 4915266819245911580407979206030453229109211339685668593840413662252961638227151796641492436612066460923129487773045465716290724393665275663621106283131204 | 2025-04-16T15:43:44 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -124.691283 | [
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[
0.80883386,
0.4276429... | [] | null | null | null | null | null | null | 9.920024 | 2.069857 | null | CO_1055549767409717731770033 | 10555497674097177317700336850871346773513136194459644061729118374520967642848724996955258382892343033961101576658592082020924266341252960399831757971794599 | 8325208826162309151990053273526475579807096303674218339596332083322387384098035948545335995434982265850120703207116357678924683482938104854898813484214555 | [
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[
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[
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[
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true
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50,
44,
19,
19,
3,
30,
30,
22,
17,
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29,
46
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1,
1
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"hme21_train_3383"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4915073727660492792288147 | 4915073727660492792288147236466687224543983954897571261416852731832605264578404125610455795676346658292522689130070229093126873199437694541015271670223999 | 2025-04-16T20:58:52 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -127.832546 | [
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[
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-1.5788... | [] | null | null | null | null | null | null | 5.215125 | 2.258341 | null | CO_1121249377397802872105018 | 11212493773978028721050187257337923297935381933335112928677184234466094350024835715260310825262334636302167705216687172639169847457637883708832229992277579 | 1799697695861343113374806029581282493107094652024174666118954376258277669569066906157127466658323493450356167774772652355640171424482557160484979293721245 | [
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[
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4... | [
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true,
true
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0.5
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 32 | 2 | 3 | [
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1,
1
] | [
"hme21_train_4105"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4915597721167432552086207 | 491559772116743255208620795531626428239050713035823106037595548337287967159553367956092050992133045542054579793543783948149312555642650130148561948735969 | 2025-04-16T16:30:05 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -121.635576 | [
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[
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[
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-0.15864... | [] | null | null | null | null | null | null | 8.743224 | 2.16803 | null | CO_2925029767934350705018367 | 2925029767934350705018367066935459636890938046277445153141307115302894420616574396283320531192551386512802440581217326894950833559533118727305979340354215 | 8295312202448822298179278266018521478685476466589151292896471563803227416459593321554007783164959156533996873367341259275154220363727198056211387758314727 | [
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true
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[
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1
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[
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[
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[
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[
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[
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23
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[
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[
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true,
true
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42
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true
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56,
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78,
11,
22,
16
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1,
1
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56
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1
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[
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14
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1
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[
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[
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[
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true,
true
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1,
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1,
1,
1
] | 32 | 4 | 3 | [
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1
] | [
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PO_1003796434805279568481869 | 1003796434805279568481869733969906452274959841613494262942579270380477566863695421109414487080430778228603074080077645314623613558915976727015413450065732 | 2025-04-16T18:38:16 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -79.097369 | [
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[
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[
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true
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44
] | 16 | 14 | 3 | [
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1
] | [
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] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_train_10121"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4951367826943951959809926 | 495136782694395195980992669718723604047821016180577669163011218782267020593731269906876157591173208582977909176681725871077287237699166885021765872337002 | 2025-04-16T18:30:27 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -158.88117 | [
[
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1.73084474,
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[
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[
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[
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[
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],
[
0.19383687,
-0.03... | [] | null | null | null | null | null | null | 9.404044 | 2.275925 | null | CO_8174834786493873228037299 | 8174834786493873228037299578552254560115762913185380902552972934224439359867708065396336081803195475350673039013310800900160855012294860968259126542753319 | 2548637972337075577418299109644076319409351220513094193823917454240375171396212425354297160044620971576378827133008593054438055781060563081865389253653714 | [
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[
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[
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8.8
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[
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[
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[
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[
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1.76493539
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[
8.3217112,
8.67147996,
... | [
true,
true,
true
] | C8F8Mg8Ru8 | CFMgRu | ABCD | [
"C",
"F",
"Mg",
"Ru"
] | [
0.25,
0.25,
0.25,
0.25
] | [
6,
6,
6,
6,
6,
6,
6,
6,
12,
12,
12,
12,
12,
12,
12,
12,
9,
9,
9,
9,
9,
9,
9,
9,
44,
44,
44,
44,
44,
44,
44,
44
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_train_14040"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4966411553803690935698289 | 496641155380369093569828902519159493731177984002128931819799389251083481536898208932305190748321515762354509110969053311339952639842682297849997838664612 | 2025-04-16T21:22:14 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -22.565542 | [
[
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0.13269475,
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[
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[
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[
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1.00386933
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[
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-0.76779192
],
[
0.48919256,
-0.61543... | [] | null | null | null | null | null | null | 4.841877 | 1.835969 | null | CO_1129377534847254813118238 | 11293775348472548131182382708001517871247625497261409797446678344101233185473312453363846198459235342984761550726832808509076341101381893140448146904602721 | 8376622862239530910997257546883536297790465405499328291681900433903376626050277617899748705380010246669318043344207215143804436193145909251313303409418326 | [
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[
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[
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0,
8.8
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2.2382228
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[
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1.27503297
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[
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[
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[
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6.55624015
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[
3.67646145,
3.71287726,
0.... | [
true,
true,
true
] | HClCuKMnSi2V | ClCuHKMnSi2V | A2BCDEFG | [
"Cl",
"Cu",
"H",
"K",
"Mn",
"Si",
"V"
] | [
0.125,
0.125,
0.125,
0.125,
0.125,
0.25,
0.125
] | [
19,
1,
29,
17,
25,
14,
14,
23
] | 8 | 7 | 3 | [
1,
1,
1
] | [
"hme21_train_173"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4966099106344761784810129 | 496609910634476178481012943611334360776962873086743357034756614998307077790012896505106274811589825024064593780047747864168362122376405369057042024726332 | 2025-04-16T18:41:25 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -128.321444 | [
[
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[
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6.21620727
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[
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[
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[
0.46310891,
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0.38695999
],
[
-0.75695054,
-1.08519... | [] | null | null | null | null | null | null | 8.057447 | 3.188781 | null | CO_1117280444202957239200828 | 11172804442029572392008286282034861906285762417422196153405660687911820140177389030825419124367347461169600250866156417211192921784135387232477330974464524 | 4980557697939711645251669759316818384188764860538113973809914941252813581198932071737945331169299127392735710206277570886994947339706840671394244019256770 | [
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[
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8.8
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] | [
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[
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[
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[
0.58261465,
4.32978814,
2.25766798
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[
6.49857657,
2.11958736,
... | [
true,
true,
true
] | F8Mg8Pt8Si8 | FMgPtSi | ABCD | [
"F",
"Mg",
"Pt",
"Si"
] | [
0.25,
0.25,
0.25,
0.25
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9,
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78,
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78,
14,
14,
14,
14,
14,
14,
14,
14,
12,
12,
12,
12,
12,
12,
12,
12
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_train_11125"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4966231091706856334302024 | 4966231091706856334302024865349872855459307062493982355420823540940522136060399798458854865907919608954970953592113656172984644984762495418241423940714471 | 2025-04-16T17:28:31 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -117.416672 | [
[
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2.41196886,
0.79444392
],
[
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2.05974995,
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[
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5.82849729
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[
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],
[
3.05174063,
5.16931853,
3.95953877
],
[
-0.47961624,
-0.958... | [] | null | null | null | null | null | null | 8.239048 | 3.693684 | null | CO_6308685580790689478308074 | 6308685580790689478308074679826722703068903433794030745817898125943512995625914799101733748017999815256212767902699516454990923036896029657573916380166721 | 3186517349885093193621379068769246054270126476031637063828419764334074441454092497916309769618231673766256159434911328612799148598166762687895978458714437 | [
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0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
3.5854933,
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1.58922861
],
[
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2.81806897
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[
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5.75360808,
3.52922038
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[
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[
2.77229911,
8.65045738,
4.54148191
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[
0.27652425,
4.81738699,
... | [
true,
true,
true
] | AgBaCaClCrCu2F2Fe2In2KLiMgMo2NNaRh2Ru2SScSi2Sn2TiZn | AgBaCaClCrCu2F2Fe2In2KLiMgMo2NNaRh2Ru2SScSi2Sn2TiZn | A2B2C2D2E2F2G2H2I2JKLMNOPQRSTUVW | [
"Ag",
"Ba",
"Ca",
"Cl",
"Cr",
"Cu",
"F",
"Fe",
"In",
"K",
"Li",
"Mg",
"Mo",
"N",
"Na",
"Rh",
"Ru",
"S",
"Sc",
"Si",
"Sn",
"Ti",
"Zn"
] | [
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.0625,
0.0625,
0.0625,
0.0625,
0.03125,
0.03125,
0.03125,
0.0625,
0.03125,
0.03125,
0.0625,
0.0625,
0.03125,
0.03125,
0.0625,
0.0625,
0.03125,
0.03125
] | [
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3,
22,
12,
7,
56,
42,
42,
45,
45,
47,
44,
44,
9,
9,
20,
16,
17,
14,
14,
21,
26,
26,
29,
29,
50,
50,
49,
49,
11,
30,
19
] | 32 | 23 | 3 | [
1,
1,
1
] | [
"hme21_train_12625"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4962928827273325246677044 | 496292882727332524667704424053578624943506671872937675090110925684070417196206950019679129487042126441428249913214833657702865247887763434931861463590366 | 2025-04-16T15:41:55 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -112.008758 | [
[
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1.10689541,
2.98083032
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[
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-0.01231333
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[
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[
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2.70514493
],
[
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2.31616595,
-1.60975152
],
[
0.03944909,
1.53483... | [] | null | null | null | null | null | null | 8.2633 | 3.147948 | null | CO_3511030118419041080553408 | 3511030118419041080553408160903412466554231794159918215262506532658252375545651059648412501561916389437092093693739355944355885724874224561575026220862779 | 8694777500909167243202779475263130031070556348281723381370172048209448702693170755866199719525159973193391526498822165572635352134289007665579298152673369 | [
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[
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[
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0,
8.8
]
] | [
[
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[
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[
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[
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[
7.99161598,
1.34011953,
0.45980546
],
[
7.52639184,
0.22619529,
... | [
true,
true,
true
] | CHAg2AuCoCr2Fe2InIrKLi3MgMoNa2NiPPb2Pd3Pt2RuVZn | Ag2AuCCoCr2Fe2HInIrKLi3MgMoNa2NiPPb2Pd3Pt2RuVZn | A3B3C2D2E2F2G2H2IJKLMNOPQRSTUV | [
"Ag",
"Au",
"C",
"Co",
"Cr",
"Fe",
"H",
"In",
"Ir",
"K",
"Li",
"Mg",
"Mo",
"Na",
"Ni",
"P",
"Pb",
"Pd",
"Pt",
"Ru",
"V",
"Zn"
] | [
0.0625,
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0.03125,
0.03125,
0.0625,
0.0625,
0.03125,
0.03125,
0.03125,
0.03125,
0.09375,
0.03125,
0.03125,
0.0625,
0.03125,
0.03125,
0.0625,
0.09375,
0.0625,
0.03125,
0.03125,
0.03125
] | [
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78,
11,
11,
19,
1,
26,
26,
47,
47,
82,
82,
79,
44,
15,
23,
24,
24,
6,
42,
49,
46,
46,
46,
77,
3,
3,
3,
12,
30,
27,
28
] | 32 | 22 | 3 | [
1,
1,
1
] | [
"hme21_train_10576"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4962854824388817358821496 | 4962854824388817358821496218194910324489465816603132084686079684229512167341601526905209628194390060283679873347805336590862678810316294871381507303579591 | 2025-04-16T16:26:36 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -94.48907 | [
[
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[
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[
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[
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2.28581686
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[
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0.633... | [] | null | null | null | null | null | null | 8.399472 | 3.170144 | null | CO_1075059565169311327905506 | 10750595651693113279055066946442587218423740932801710865836032982265873179260333005686974515360448357820025795487082646166767496344112220670117979225671635 | 4544976726451834131153581653643184158352414199988209508917554271793241121329430346090973845570697961126962678534236290739460082835410335479260523592559517 | [
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[
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0
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[
0,
0,
8.8
]
] | [
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[
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[
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[
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[
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5.444494,
3.16961832
],
[
6.62494316,
2.60098115,
2.... | [
true,
true,
true
] | Cl16P16 | ClP | AB | [
"Cl",
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] | [
0.5,
0.5
] | [
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_train_6933"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4962026100486231958481921 | 4962026100486231958481921711204390944579529792512920299782326992532429427378121559810861075071301455285937558745355002864908833129865308489604780260513091 | 2025-04-16T16:23:37 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -158.915119 | [
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-1.88744848
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[
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4.82079841
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[
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[
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[
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1.53834726,
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[
0.03084078,
4.86135... | [] | null | null | null | null | null | null | 6.647304 | 2.914838 | null | CO_1266464438300231365253547 | 12664644383002313652535472061892388995038365822798602879285693185888558432983718429467651391688776911805094238936171636480244347785084494736304021649844477 | 6087718194461078390931216494116851064491970993781375084017508376841026006784867947666078325310023555193375393121682984563451728326743946881937922495774958 | [
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0
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[
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0
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[
0,
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8.8
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] | [
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[
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2.54183336
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[
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[
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[
5.88824553,
4.64341654,
5.9389895
],
[
3.86599409,
8.77501935,
... | [
true,
true,
true
] | Rh16S16 | RhS | AB | [
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] | [
0.5,
0.5
] | [
45,
45,
45,
45,
45,
45,
45,
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PO_4957358132536867767306145 | 4957358132536867767306145325035583642340257121550670536675706161068969769964879536172403398261026192029372309606009440152198696289603232614623336149256298 | 2025-04-16T21:37:22 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -16.998815 | [
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[
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[
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[
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[
0,
0,
8.8
]
] | [
[
0.61111538,
8.47276769,
3.40476972
],
[
0.75697046,
0.00324562,
6.14889616
],
[
6.5135671,
8.78370178,
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],
[
6.5597319,
5.36430462,
2.75988029
],
[
5.05546008,
1.08890681,
2.26952396
],
[
6.79777111,
2.53762045,
... | [
true,
true,
true
] | CAg2AuBaClCoCuFeInIrLiMg3Mn2Ni2PbRhScSi3Sn3VZn3 | Ag2AuBaCClCoCuFeInIrLiMg3Mn2Ni2PbRhScSi3Sn3VZn3 | A3B3C3D3E2F2G2HIJKLMNOPQRSTU | [
"Ag",
"Au",
"Ba",
"C",
"Cl",
"Co",
"Cu",
"Fe",
"In",
"Ir",
"Li",
"Mg",
"Mn",
"Ni",
"Pb",
"Rh",
"Sc",
"Si",
"Sn",
"V",
"Zn"
] | [
0.0625,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.03125,
0.09375,
0.0625,
0.0625,
0.03125,
0.03125,
0.03125,
0.09375,
0.09375,
0.03125,
0.09375
] | [
50,
50,
50,
12,
12,
12,
49,
28,
28,
17,
23,
45,
6,
3,
47,
47,
27,
25,
25,
14,
14,
14,
77,
30,
30,
30,
29,
82,
79,
26,
21,
56
] | 32 | 21 | 3 | [
1,
1,
1
] | [
"hme21_train_1813"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_4963430752117943378351576 | 4963430752117943378351576074885067130706713769631077859862892301111680916704582358092038161942061775117677945063933126249485043237819324729698154631925751 | 2025-04-16T16:24:36 | DS_jhfis7syauhm_0 | 1 | VASP 5.4.4 | DFT-PBE | -71.357408 | [
[
0.30283389,
0.26101859,
-0.72104017
],
[
-0.76440226,
0.21798491,
-0.92488746
],
[
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0.5283481,
0.10164107
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[
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0.86182424,
0.03568871
],
[
-0.05435606,
0.08435287,
1.14122121
],
[
-1.63945996,
1.898591... | [] | null | null | null | null | null | null | 5.749283 | 1.883046 | null | CO_5653672701211940407935656 | 5653672701211940407935656887778524169444879992253706980039271076046359587901252376003113294918691776645079092146094780998401019497084440951273531426666194 | 5034267671114336123328322436810587427162955246807083956896130236665477875412405443021167841818225969171372430963712963455102367745379908052812299820203113 | [
[
8.8,
0,
0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
0.13864154,
1.08442048,
7.9183478
],
[
7.8556999,
4.17221825,
4.21062242
],
[
5.53911494,
0.85811994,
1.49256633
],
[
2.69100445,
7.5663544,
6.09925351
],
[
6.91660517,
1.4427189,
3.61075704
],
[
2.7354602,
1.34765981,
5.8... | [
true,
true,
true
] | Ag32 | Ag | A | [
"Ag"
] | [
1
] | [
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 32 | 1 | 3 | [
1,
1,
1
] | [
"hme21_train_98"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
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