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[
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5.48235134,
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[
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2.30406801,
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true,
true,
true
] | CHAg2AlCa3ClCoCrCu3FeKMnN2Ni3OPRhRu2SSc2SiSn | Ag2AlCCa3ClCoCrCu3FeHKMnN2Ni3OPRhRu2SSc2SiSn | A3B3C3D2E2F2G2HIJKLMNOPQRSTUV | [
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"Al",
"C",
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0.03125,
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26,
17,
8,
45,
25,
15,
50,
14,
6,
19
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1,
1
] | [
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PO_1027501292535301985591811 | 10275012925353019855918117834500795500049696442405774744677615793344033033837621921912727686826928698473795493325460764201206583716710248930270760883450042 | 2025-04-16T18:59:11 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -11.085325 | [
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[
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[
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true,
true,
true
] | Cu2FInLiNiSn2 | Cu2FInLiNiSn2 | A2B2CDEF | [
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0.25,
0.125,
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49
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1,
1,
1
] | [
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PO_1073164808192910297838051 | 10731648081929102978380512258660890382031189070646799257638873075547186704402623298604035193245950673172811935826763916160717005595628399285029612748375315 | 2025-04-16T16:57:14 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -148.576018 | [
[
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[
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[
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[
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0.27459... | [] | null | null | null | null | null | null | 6.300022 | 2.856418 | null | CO_5640362623328088887676736 | 5640362623328088887676736721132970214415038297619571597249488240753727901669791965090717372800687127305159233317461892308380016216471022902362731265831494 | 10401677414297156819473914872064446640969285998114112251057223733878347284625866544267678162514267348531926244624641762326548899943238036630391872568813291 | [
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[
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6... | [
true,
true,
true
] | Co8Fe8O16 | CoFeO2 | A2BC | [
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27,
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27,
27
] | 32 | 3 | 3 | [
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1,
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_5045143226940128220295027 | 5045143226940128220295027955759900729935287473306188404237642906626660347874234365287585189267868313576954962421439265680616556851229318338657271609993431 | 2025-04-16T17:50:49 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -148.593703 | [
[
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[
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[
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[
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0.55942... | [] | null | null | null | null | null | null | 4.741116 | 1.851979 | null | CO_2327220051682853055195499 | 2327220051682853055195499510375276319166031707212050006190926012034653334770235573277552759220337295447653343794274874953242815448386477422852090333128439 | 9004796591623883679563825444279514092422911648851005533079487049577939808605747478117531600637632529160003078701652497916183905075539009193310192505504391 | [
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[
4.48426222,
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[
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... | [
true,
true,
true
] | H2Al2AuBaCa4CoCrFIrLiMg2Mn2PPbRhRu2SSc4Si3 | Al2AuBaCa4CoCrFH2IrLiMg2Mn2PPbRhRu2SSc4Si3 | A4B4C3D2E2F2G2H2IJKLMNOPQRS | [
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12,
12,
45,
44,
44,
1,
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24,
3,
77,
56
] | 32 | 19 | 3 | [
1,
1,
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_5031595017164345366318888 | 5031595017164345366318888093531081630810812870969682701370621631548467686502860459005617282948738021855745732595380796221649826171771505894629822732231412 | 2025-04-16T17:10:53 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -157.294137 | [
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[
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[
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[
1.71758932,
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[
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[
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... | [
true,
true,
true
] | Fe10O20 | FeO2 | A2B | [
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0.3333333333333333,
0.6666666666666666
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8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 2 | 3 | [
1,
1,
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_5052090955194574586081343 | 5052090955194574586081343491687746341772799128053683616533144930409213680960876119400629290302195183298510462737841588705223697232734662752441097908239717 | 2025-04-16T16:56:16 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -133.273198 | [
[
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[
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[
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[
0.11800117,
-0.0538... | [] | null | null | null | null | null | null | 1.940292 | 1.119631 | null | CO_7718848942700799605729395 | 7718848942700799605729395995802101356096995255053349566712498503297593177167555589084621250561962963783505584928916250570031763417097363514119937619881194 | 5374135692981018384480985501239953360267224733345021630810607598090782685631299446849514688159249292090693068266305553258542596522063299688337215843753807 | [
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[
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[
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[
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[
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5.7540039,
... | [
true,
true,
true
] | Au16V16 | AuV | AB | [
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0.5,
0.5
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_516"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1073327047625604177467461 | 10733270476256041774674618855105496056157439224065805371918649948688630922927156500697572379340095124641121187349594089151205940743933491801773370956319077 | 2025-04-16T21:13:01 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -122.698537 | [
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[
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[
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[
-0.26104355,
-1.37540... | [] | null | null | null | null | null | null | 8.404291 | 2.92141 | null | CO_1220804952346063208553063 | 12208049523460632085530633815987670558309964073973197792541154016042631135233990112282821984204303596131310715853788881751052652175675587420211444258721629 | 2514652158601563185866729490661564713012847146970237523450328148100713411650704953298569654795958299564744982551154650810489263153188101836645496012303518 | [
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[
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[
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] | [
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[
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[
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[
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[
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2.35344516
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[
5.25108153,
4.28778222,
... | [
true,
true,
true
] | Al2Au2Ba3CaCrF2FeInIr2KLiMgNa2Ni2P2PtRu3Sc2SiSn | Al2Au2Ba3CaCrF2FeInIr2KLiMgNa2Ni2P2PtRu3Sc2SiSn | A3B3C2D2E2F2G2H2I2J2KLMNOPQRST | [
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"Ir",
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"Mg",
"Na",
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12,
24,
44,
44,
44,
28,
28,
9,
9,
20,
78,
14,
50
] | 32 | 20 | 3 | [
1,
1,
1
] | [
"hme21_val_307"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5053730414621436479402662 | 5053730414621436479402662861232571231384319799187189014727568202355003154120945340525901321917529638171898167725314428622574269870705320314274349540696816 | 2025-04-16T20:28:32 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -129.933221 | [
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[
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[
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[
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true
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PO_5108202680179098965986983 | 5108202680179098965986983375051887860266017792570891001032204478598734284377330189450289935773867154908085385406378093630218093788075797962917750778685279 | 2025-04-16T16:08:30 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -137.084619 | [
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[
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[
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0.324... | [] | null | null | null | null | null | null | 5.150623 | 1.69181 | null | CO_1164767491141500004346376 | 11647674911415000043463768993329970136175719319708637262434480330055053018816340971485597084281325481239833944490512449116904140006688728391855798260470104 | 3451234556634714312095621959881413904188526216451476913285367214861294525898890673978085830256499642963710334736342603373690995896149357606221521504858361 | [
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[
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true,
true
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"F",
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"Li",
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27,
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14,
14,
9,
9,
26,
26,
23,
23
] | 32 | 13 | 3 | [
1,
1,
1
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PO_5106340765610642209307441 | 5106340765610642209307441861607939215202555922666410822577398866737763045901941653191915143343202157309340651423182673909474942836319946994554654049245560 | 2025-04-16T18:16:00 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -127.307042 | [
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[
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[
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[
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... | [
true,
true,
true
] | Au16Mo16 | AuMo | AB | [
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0.5,
0.5
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42,
42,
42,
42,
42,
42,
42,
42,
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42,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1354"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5116575094627508788798381 | 5116575094627508788798381075127438342555664328527307204752582959852651321590371444192112972105103375413605119118325682688734540040182895237430330848114615 | 2025-04-16T18:56:42 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -107.746813 | [
[
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[
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[
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[
2.35027489,
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[
0.4466752,
1.2424989... | [] | null | null | null | null | null | null | 4.983936 | 2.360731 | null | CO_3799432086111411032192953 | 3799432086111411032192953335231656833287943869030196240388102443762421848747921088030860868426893803455561855993910150817747851010911179460104967020545553 | 1052142456993033331211981053712587451473348223807888019435449150492820615981513704376499132694387104118223079821903935796010299864532663801442943639235293 | [
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[
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[
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[
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8.38948889,
8.... | [
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true,
true
] | Cl2Co2Cu2In4K4Mg4Mn2Na2Pt4Rh2Ti2V2 | ClCoCuIn2K2Mg2MnNaPt2RhTiV | A2B2C2D2EFGHIJKL | [
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"Mg",
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0.125,
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0.125,
0.0625,
0.0625,
0.125,
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25,
25,
12,
12,
12,
12,
45,
45,
22,
22,
29,
29,
23,
23
] | 32 | 12 | 3 | [
1,
1,
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_1078766727462256078902866 | 10787667274622560789028665855988264358776141660138783793348264518212863090254496123653830841462937569669587854349859295095257094796297045941664991871608944 | 2025-04-17T17:56:16 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -82.922752 | [
[
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0.26640605
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[
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[
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[
1.02511797,
-1.83122797... | [] | null | null | null | null | null | null | 3.751524 | 1.787577 | null | CO_8922267598422861068701167 | 8922267598422861068701167238704957579216933855453855366272036103339697420839377560692274926382217897320558568819050126710332533917118986425321468873274638 | 5346990271840151393230433081438706727613797061134985109707566726632537669325430905851618181883147600515487832332476438851533905385458389625979036623904073 | [
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[
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[
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2... | [
true,
true,
true
] | Ag16Au16 | AgAu | AB | [
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] | [
0.5,
0.5
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79,
79,
79,
79,
79,
79,
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_2183"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5120879960856993918435154 | 5120879960856993918435154518404370082389197166493841821971830430858165262196841563855735118835147142600613538092069377119417798184933301996396879019269180 | 2025-04-16T20:08:38 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -127.085992 | [
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[
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[
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[
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[
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[
2.62867408,
-1.53150124,
... | [] | null | null | null | null | null | null | 5.582947 | 1.878495 | null | CO_3662190011059057934982466 | 3662190011059057934982466185492897452616457065006049186788864092816905769797185609381989233121569809288664763054292491721561806913529582842428680744180226 | 1325978555889470461106057001673649193861215194674993580582234349824310985660912133598276950779057794981438625697156030604838732041767722408509010735094757 | [
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[
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[
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[
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1.70141532
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[
1.40918413,
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... | [
true,
true,
true
] | Ir16Ni16 | IrNi | AB | [
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0.5,
0.5
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28,
28,
28,
28,
28,
28,
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28,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_879"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5157455174168802563716946 | 5157455174168802563716946630399717646555552652124938023141112408947746093550337776094724366718410234820451746953033044204638041729187605489330937545431024 | 2025-04-16T20:44:25 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -64.27826 | [
[
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3.11492989,
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[
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[
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[
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[
1.62489466,
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-1.34190982
],
[
-0.58693384,
-5.7510365... | [] | null | null | null | null | null | null | 16.898038 | 6.198954 | null | CO_1064146428416826324664873 | 10641464284168263246648738562043523587764505872670810260363745414774238750186704752447287834261627970240501314026706782364334003085243943219998205983900913 | 450747991483560138944235150503580730571623686853286332782605999761774871393832266102597742891050394575489002878758239691970048335493261112317137305967077 | [
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] | [
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[
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[
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[
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[
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3.92384661,
1.99261436
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[
6.44704826,
3.84555494,
... | [
true,
true,
true
] | Ag2Al2Ba4Cl2Cr2Fe2Li2Mg2Mn2Mo4Na2Ni2Pd2Si2 | AgAlBa2ClCrFeLiMgMnMo2NaNiPdSi | A2B2CDEFGHIJKLMN | [
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"Ba",
"Cl",
"Cr",
"Fe",
"Li",
"Mg",
"Mn",
"Mo",
"Na",
"Ni",
"Pd",
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0.0625,
0.0625,
0.0625,
0.0625,
0.125,
0.0625,
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14,
14,
56,
56,
56,
56,
26,
26,
13,
13,
28,
28,
47,
47,
24,
24,
25,
25
] | 32 | 14 | 3 | [
1,
1,
1
] | [
"hme21_val_17"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5164297257793141930551445 | 5164297257793141930551445594260264955402644614637042793094190763111215205516492811001919569135589143955247458322838998961342931968193033788855298009508387 | 2025-04-16T20:10:06 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -181.348745 | [
[
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0.1696001
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[
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[
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[
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[
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-1.18836152
],
[
0.84112344,
-2.869... | [] | null | null | null | null | null | null | 4.962464 | 1.800613 | null | CO_9483337467896403073384989 | 9483337467896403073384989087085139529786532052786640659888592985348097570782443430095450059870216257187815497882565055008973793081497883209051150160761494 | 2476946188046292202674607770055186972904235633770216742910469338721011894953168978066682316868280416524084721568907218380174722864472308195626314369960432 | [
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[
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[
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[
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0.15974561
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[
3.50740474,
0.05706853,
... | [
true,
true,
true
] | Cr8Pt8Si8V8 | CrPtSiV | ABCD | [
"Cr",
"Pt",
"Si",
"V"
] | [
0.25,
0.25,
0.25,
0.25
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78,
78,
78,
78,
78,
78,
78,
78,
23,
23,
23,
23,
23,
23,
23,
23,
24,
24,
24,
24,
24,
24,
24,
24,
14,
14,
14,
14,
14,
14,
14,
14
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_val_2190"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5153690120067950253699030 | 5153690120067950253699030262536213459552395848177800915434351846338897562128818095718885270859825804961107196367284639386609703406590251658823588370364816 | 2025-04-16T20:39:54 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -91.241921 | [
[
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[
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[
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[
0.40821682,
0.749523... | [] | null | null | null | null | null | null | 1.907326 | 0.894365 | null | CO_1560804836647514467201336 | 1560804836647514467201336161509416535084828343607102059780144665795232735679474954411669141804978191496062523591366724996663904952811596803875414014638778 | 7882560537407287966525131483442684425664271529187742651711300282581117088952560131171127721311642410392667420365650507392490776392294630141828559569537563 | [
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[
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[
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[
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2.71356589
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[
6.37037949,
3.61255954,
... | [
true,
true,
true
] | H16Pb16 | HPb | AB | [
"H",
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0.5,
0.5
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1,
1,
1,
1,
1,
1,
1,
1,
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82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_2331"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5160574325825153126302917 | 516057432582515312630291739841393130446239949138936813884119498646867824502174742945594789115292457350573909663428628141666504911996046472743010870032485 | 2025-04-16T21:29:37 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -159.127115 | [
[
0.2272521,
0.53264581,
-0.5611973
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[
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[
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[
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1.79845938
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[
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1.50460626
],
[
1.20569359,
-0.232381... | [] | null | null | null | null | null | null | 6.278572 | 2.417046 | null | CO_2559122464854837834563971 | 2559122464854837834563971514232957767959828650809229019263759664936357625396316792915136951403764638828560444573901681173814767996406628728209010193989726 | 11782917672622049125377869232508951618134858273933659746046360693013744346837952825826211562285739767832069379831175187292248683314392874828836763347062839 | [
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[
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8.8
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] | [
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[
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0.78011938,
5.18163114
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[
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[
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3.53670117
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[
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4.03017947,
1.61672694
],
[
6.34937794,
1.76752391,
... | [
true,
true,
true
] | Al2Ca2Cl2Co2F2Mo2Pb4Pt2Rh6Ru4S2Sc2 | AlCaClCoFMoPb2PtRh3Ru2SSc | A3B2C2DEFGHIJKL | [
"Al",
"Ca",
"Cl",
"Co",
"F",
"Mo",
"Pb",
"Pt",
"Rh",
"Ru",
"S",
"Sc"
] | [
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0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.125,
0.0625,
0.1875,
0.125,
0.0625,
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82,
82,
82,
13,
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21,
21,
78,
78,
45,
45,
45,
45,
45,
45,
42,
42,
20,
20,
27,
27,
44,
44,
44,
44,
17,
17,
9,
9,
16,
16
] | 32 | 12 | 3 | [
1,
1,
1
] | [
"hme21_val_1295"
] | 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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[
0.94516405,
-1.46706654,
-1.114118
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[
4.27741014,
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1.97870907
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[
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[
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],
[
0.01694115,
0.28619169,
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],
[
2.72658371,
2.49203123,
... | [] | null | null | null | null | null | null | 4.737331 | 2.099425 | null | CO_8128404407024556197934505 | 8128404407024556197934505532321272098227214532406721464843203044795875888431760164227600542536437850350656960105038825169947281091705067108169464113865934 | 2482490233890403045784563107937290177972930540797830337139202705494366306637832331900495346238426536470212222756846988191769242083398611369204201555402868 | [
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[
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8.8,
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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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[
4.56896598,
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2.21000648
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[
0.99569395,
1.26722235,
... | [
true,
true,
true
] | Cl4F4Mg4Mo4Ru4Sc4Ti4V4 | ClFMgMoRuScTiV | ABCDEFGH | [
"Cl",
"F",
"Mg",
"Mo",
"Ru",
"Sc",
"Ti",
"V"
] | [
0.125,
0.125,
0.125,
0.125,
0.125,
0.125,
0.125,
0.125
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22,
22,
22,
22,
21,
21,
21,
21,
42,
42,
42,
42,
44,
44,
44,
44,
17,
17,
17,
17,
12,
12,
12,
12,
23,
23,
23,
23,
9,
9,
9,
9
] | 32 | 8 | 3 | [
1,
1,
1
] | [
"hme21_val_772"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1030311105973494806277163 | 10303111059734948062771634309002120798101545895872203422768996894716554655197183619470168290652401918979545689516133981877953302925228201785633914496613105 | 2025-04-16T16:02:27 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -61.24695 | [
[
0.8369075,
0.86875085,
0.6964673
],
[
2.94213041,
1.51304554,
-1.650736
],
[
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[
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],
[
-2.87237682,
-4.95702491,
-0.96177846
],
[
-0.99321645,
0.04326542,
... | [] | null | null | null | null | null | null | 5.809274 | 2.188053 | null | CO_2421603804972225576527216 | 2421603804972225576527216824576606218251556442313322777858195986403140934145692665995565859567947350341988158472444719189258817195186419485537246145737003 | 6769011759681340419681504776377810936654099251978482945063701104746455428773631572668788339076113674572111146532500255058649718956226931751083425807110028 | [
[
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0,
0
],
[
0,
7,
0
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[
0,
0,
7
]
] | [
[
4.87417581,
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[
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5.89304898
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[
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[
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[
3.72709911,
0.41277803,
0.50622719
],
[
2.53210489,
4.28613227,
3... | [
true,
true,
true
] | Ag2Au4Cu2F2In2Sc2Ti2 | AgAu2CuFInScTi | A2BCDEFG | [
"Ag",
"Au",
"Cu",
"F",
"In",
"Sc",
"Ti"
] | [
0.125,
0.25,
0.125,
0.125,
0.125,
0.125,
0.125
] | [
22,
22,
49,
49,
79,
79,
79,
79,
21,
21,
9,
9,
47,
47,
29,
29
] | 16 | 7 | 3 | [
1,
1,
1
] | [
"hme21_val_2348"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5140082778192606752888292 | 5140082778192606752888292909551568077493524515220692193381049445201662067334833973881032637594561887185667516492775921619261127307006685472828642539508863 | 2025-04-16T22:03:29 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -78.716428 | [
[
-0.48102754,
0.48701438,
1.44503517
],
[
0.16802237,
-0.24102425,
0.17418633
],
[
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[
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],
[
-0.50973772,
1.56108185,
-0.95654092
],
[
0.04774021,
0.49612... | [] | null | null | null | null | null | null | 2.987685 | 1.600383 | null | CO_1041717154290325038476187 | 10417171542903250384761876571520956432570591219148224898399582216207255156421460212083012899714923868337287649864475072543866190761148827258250556685084168 | 11430960668472274696495888863821744980487008867151182750826298180358384171421964014469082866985324921889601607556643137572842143944345651808853265382571709 | [
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0
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[
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8.8,
0
],
[
0,
0,
8.8
]
] | [
[
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[
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4.9321294
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[
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[
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],
[
2.56265768,
0.79335036,
7.84937252
],
[
6.17080394,
2.49668989,
3.57... | [
true,
true,
true
] | Ag8In8Li8Pb8 | AgInLiPb | ABCD | [
"Ag",
"In",
"Li",
"Pb"
] | [
0.25,
0.25,
0.25,
0.25
] | [
47,
47,
47,
47,
47,
47,
47,
47,
82,
82,
82,
82,
82,
82,
82,
82,
49,
49,
49,
49,
49,
49,
49,
49,
3,
3,
3,
3,
3,
3,
3,
3
] | 32 | 4 | 3 | [
1,
1,
1
] | [
"hme21_val_1331"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5135254597434457814872451 | 513525459743445781487245183515266356949972165628923738801357740184556624003444303561042496604701863800217813547433275581915207661527335791178998666908147 | 2025-04-16T15:43:10 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -32.712618 | [
[
-1.26765686,
0.36217146,
-0.48225495
],
[
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1.19011481,
-0.40549465
],
[
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[
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0.28170448
],
[
-0.6408713,
1.33680642,
0.40995653
],
[
-0.05509672,
-1.5417... | [] | null | null | null | null | null | null | 3.174636 | 1.875339 | null | CO_1299580076171341974799456 | 1299580076171341974799456692876633356352307536182857307649289204834340613886091892663523285280552166250033589724416894080094125671204279580447795719975854 | 1814491813096441237601474078096316870075250329812366737065358059854946403447210209373166985076230408566742579236794350333994150366827629707647330649883951 | [
[
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0
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[
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8.8,
0
],
[
0,
0,
8.8
]
] | [
[
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8.37384328,
7.20781442
],
[
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4.44433986,
6.14478154
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[
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2.88546914
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[
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3.2111992,
7.01273223
],
[
6.53473058,
7.12604939,
8.5406523
],
[
5.96467714,
5.85771437,
... | [
true,
true,
true
] | Ca16Zn16 | CaZn | AB | [
"Ca",
"Zn"
] | [
0.5,
0.5
] | [
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1271"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5133330689539255843579007 | 5133330689539255843579007689730314670207509250553115756683603487998191259853997712090047994900602371383951135433521546769090602641967155135644992062498155 | 2025-04-16T22:03:29 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -29.631125 | [
[
-0.59549789,
0.35532587,
0.94067307
],
[
-1.30778995,
-0.57930752,
0.43446658
],
[
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0.44965324
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[
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-0.59037986
],
[
1.09474207,
-0.39064772,
0.52535104
],
[
0.02332363,
-0.40... | [] | null | null | null | null | null | null | 2.444403 | 1.105506 | null | CO_1678317853388693900159731 | 1678317853388693900159731179275425194499123591330047442754012154105479817564094922658665853263283579643719487354029814320865172993720313524869282455671304 | 9106982826027578730578213354957072145267850658910754908496811986613881619916506984750162663522836653422988900826155502171801062532450717593054876148853210 | [
[
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0,
0
],
[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
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7.37096765,
8.49122058
],
[
3.2761263,
0.00375751,
3.15272355
],
[
8.45592986,
8.16524782,
3.19009372
],
[
2.34818874,
0.3414664,
5.49543491
],
[
0.3626495,
6.09245674,
7.68664644
],
[
3.48393584,
6.32528037,
3.... | [
true,
true,
true
] | Mg16Ni16 | MgNi | AB | [
"Mg",
"Ni"
] | [
0.5,
0.5
] | [
28,
28,
28,
28,
28,
28,
28,
28,
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28,
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28,
28,
28,
28,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_2172"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5141741807103057387919866 | 5141741807103057387919866587776057492226602311446644608641397542019365000306243291061309801538409515911061910613670327901940619015595902577256932235191393 | 2025-04-16T21:51:46 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -115.248327 | [
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7.03384037,
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[
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[
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[
0.07388709,
0.3617183... | [] | null | null | null | null | null | null | 7.492588 | 2.883645 | null | CO_1335865249290494249864074 | 13358652492904942498640741692191732813934515855791020961098785304589109195733072693439087082219770967151879881889090824898830481595057589510066119193862563 | 8455095103632342389133272381289589246116943524830148427563488222903049100598271806256922195555060074694615118190916898297739638290971996215598549031190026 | [
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[
1.36471025,
5.43776244,
... | [
true,
true,
true
] | Cr8Mg8O8Zn8 | CrMgOZn | ABCD | [
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"Mg",
"O",
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0.25,
0.25,
0.25,
0.25
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30,
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12,
12,
12,
12,
12,
12,
8,
8,
8,
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8,
8,
8,
8
] | 32 | 4 | 3 | [
1,
1,
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_5139893791647928195112790 | 5139893791647928195112790788860825710979196584815822116147533815365176723809800494703633761313822347554356859776478237953266421027115644329090468356449009 | 2025-04-16T20:25:58 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -77.798185 | [
[
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0.25307233
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[
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[
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[
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0.07858443
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[
0.67160444,
-0.43532... | [] | null | null | null | null | null | null | 3.821311 | 1.695767 | null | CO_6737671689543106504172041 | 673767168954310650417204104153468067830735897403997531109506686362454718756812594815201230093776041353971514546957294722854498429405549120460607043852505 | 5713011513245926563532927971661229071867276683820624057266292330726494363407951205018714266630789495468328478328547552436824006477882476351361556813028586 | [
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6.89911992
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[
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[
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[
4.05705559,
3.33974333,
5.90969197
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[
5.46506268,
2.79826246,
... | [
true,
true,
true
] | HAlAuClFFe2InIrMn2N2OPPb | AlAuClFFe2HInIrMn2N2OPPb | A2B2C2DEFGHIJKLM | [
"Al",
"Au",
"Cl",
"F",
"Fe",
"H",
"In",
"Ir",
"Mn",
"N",
"O",
"P",
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0.125,
0.0625,
0.0625,
0.0625,
0.125,
0.125,
0.0625,
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26,
26,
15,
77,
17,
1,
13,
79,
49,
7,
7,
82,
8,
25,
25
] | 16 | 13 | 3 | [
1,
1,
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_5136065428564325178033898 | 5136065428564325178033898536957297399316173109969016518212322488378183573282870047971652688949952488299282018894460031457077512910215612894199924365011078 | 2025-04-16T18:16:20 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -157.117322 | [
[
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0.75639374,
0.26469731
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[
1.01569528,
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[
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[
0.28907833,
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],
[
10.37992797,
-1.3843... | [] | null | null | null | null | null | null | 10.789662 | 2.800708 | null | CO_8430133655005279891311178 | 8430133655005279891311178698052940213615823467780210125731931595640289889176516291651846362735873154408501816813350909801988846854048634662918478937816626 | 1542441932359084468750032664548601210774678396207837379891043187271347978437274272324727457027471048418075222171534164675766975863717394860280094913800979 | [
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[
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[
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2.38126451
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[
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[
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[
3.65821289,
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0.9886096
],
[
0.44031416,
4.9697919,
1... | [
true,
true,
true
] | F16V16 | FV | AB | [
"F",
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] | [
0.5,
0.5
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23,
23,
23,
23,
23,
23,
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9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_2052"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1081760217507795837948213 | 10817602175077958379482138884025041652026196296156511682412287136650741951313310549072108171426226846206401645724204398816040680927436812807553828791914456 | 2025-04-16T17:54:28 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -133.04713 | [
[
2.28931755,
0.12043401,
0.72691181
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[
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0.09905778
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[
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[
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[
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3.27536331
],
[
0.3770356,
0.224987... | [] | null | null | null | null | null | null | 5.099582 | 2.154229 | null | CO_5512804347310206107111044 | 5512804347310206107111044009061193596585903438456702920232509662041470163451290002796386511782459078344708082775506657209197866953237590650056587380141578 | 12416673095269606755365476456621460276894967424841765941030609170850615238347914282424049850772834659325751598956238850671522583570782626921092602430084562 | [
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[
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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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[
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6.42795243,
3.63836572
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[
4.41246511,
5.57209831,
... | [
true,
true,
true
] | Al16V16 | AlV | AB | [
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] | [
0.5,
0.5
] | [
23,
23,
23,
23,
23,
23,
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23,
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13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13
] | 32 | 2 | 3 | [
1,
1,
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_5172904413375558878532901 | 5172904413375558878532901795160668031705779485003468010556990437938033004362288972832357444082845383550266871101277877932788065028408388284651836009647848 | 2025-04-16T15:43:58 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -43.539133 | [
[
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3.47967852,
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[
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[
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[
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[
2.81673111,
6.36670021,
5.40899288
],
[
-0.62289902,
-1.84437... | [] | null | null | null | null | null | null | 8.816238 | 5.663787 | null | CO_2220137305672891342521968 | 2220137305672891342521968880204792938696272044193803377415570126390428125948431192454656316959702577697216936727830589138880172481543153215987289066366596 | 11246239126917909787987106668956743353599927259020416258795244687183293401666930300956362541583041521528330719427949436988887543988932900133397705941288068 | [
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[
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7,
0
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[
0,
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7
]
] | [
[
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1.28290736
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[
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2.90609844
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[
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[
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[
2.79298663,
1.5387729,
3.34620244
],
[
1.75881874,
2.85624619,
... | [
true,
true,
true
] | AgCaCr2FFeInLiMoNiRuScSiSnVZn | AgCaCr2FFeInLiMoNiRuScSiSnVZn | A2BCDEFGHIJKLMNO | [
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"Cr",
"F",
"Fe",
"In",
"Li",
"Mo",
"Ni",
"Ru",
"Sc",
"Si",
"Sn",
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0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
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28,
24,
24,
21,
47,
9,
20,
26,
14,
30,
44,
3,
49,
42,
50
] | 16 | 15 | 3 | [
1,
1,
1
] | [
"hme21_val_1790"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5162350414417237703547366 | 5162350414417237703547366092853864113137979587946813421921021446445819183963265712786134414227735845688260174739719060694673760304842258224334636217435702 | 2025-04-16T21:30:02 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -160.968604 | [
[
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0.14667839,
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[
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[
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[
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[
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1.65379085
],
[
0.60233279,
3.2659036... | [] | null | null | null | null | null | null | 10.1241 | 2.696396 | null | CO_7786969104216215079703981 | 7786969104216215079703981095187946053856461115795437859886351604887319399857212069029700543960730697521677287218369883557748020970691411868216719112922273 | 3770980727385685227046226718169144028543460135040223771934158597438940801787296431270747064165248454138120316020835759991467945222788979874900864896359387 | [
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[
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[
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] | [
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[
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[
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[
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[
4.31211414,
3.30197335,
9.96877173
],
[
5.58555086,
6.02626563,
... | [
true,
true,
true
] | Fe10O20 | FeO2 | A2B | [
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] | [
0.3333333333333333,
0.6666666666666666
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 30 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1495"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1082195072669617957561223 | 10821950726696179575612230632906911430642930617254018846737170224093847446231971374146139471301431831300169279507299892039674007571363421006533320776510173 | 2025-04-16T18:36:30 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -105.870525 | [
[
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-0.16365107
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[
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0.38127517,
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[
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[
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[
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1.38798041,
-0.79436469
],
[
1.60187965,
1.71137... | [] | null | null | null | null | null | null | 6.030324 | 2.468987 | null | CO_1630005458658636159485888 | 1630005458658636159485888663022566495165473740598165858700461039855902984786115863015900460587262909668169848378369568994494327505862500739224124949574113 | 8205240887907551028991028064366348306010148048419442769769058336698119477316841257260650759323921393955094687048456629550365768646208454749238321195143674 | [
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0
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[
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8,
0
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[
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8
]
] | [
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[
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6.5460496
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[
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[
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[
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7.28938648,
0.97916072
],
[
3.5063596,
2.38279184,
3.41... | [
true,
true,
true
] | C2H4Ag2AuBaCoFFe2In2K3MnMo2Na2ORhScSn3Zn2 | Ag2AuBaC2CoFFe2H4In2K3MnMo2Na2ORhScSn3Zn2 | A4B3C3D2E2F2G2H2I2J2KLMNOPQR | [
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0.03125,
0.0625,
0.0625,
0.03125,
0.03125,
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19,
19,
19,
21,
56,
26,
26,
47,
47,
8,
45,
25,
27,
79
] | 32 | 18 | 3 | [
1,
1,
1
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[
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true,
true
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8,
8
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[
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true
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82,
82
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[
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true,
true
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[
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true
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[
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true,
true
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[
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true,
true
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[
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true,
true
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44
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1
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[
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[
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true
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16,
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14
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[
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true,
true
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50
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1,
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[
1.42773701,
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[
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true,
true
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17,
17,
56,
45,
16,
14,
46,
13
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1
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[
2.02457829,
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[
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true,
true,
true
] | CHCoCuFIrMnNNa2NiPb2RhRuTi | CCoCuFHIrMnNNa2NiPb2RhRuTi | A2B2CDEFGHIJKLMN | [
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22,
45,
28
] | 16 | 14 | 3 | [
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1
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[
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... | [] | null | null | null | null | null | null | 5.056592 | 1.960392 | null | CO_9990330192440699812369193 | 9990330192440699812369193004673392698822576851322267289876954780135472706280994917478394086658628378678395489901941791196533272179108356974228229414355693 | 10062284225633109319176950730144872455256644823398765371107274796632451082284692415862622121301000671940244633556318885297463554583364063173149425337409100 | [
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[
7.14126723,
6.10120623,
... | [
true,
true,
true
] | Cl8Fe8Mo8Pd8 | ClFeMoPd | ABCD | [
"Cl",
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"Mo",
"Pd"
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0.25,
0.25,
0.25,
0.25
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26,
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17,
17,
17,
17,
46,
46,
46,
46,
46,
46,
46,
46
] | 32 | 4 | 3 | [
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1,
1
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[
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[
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[
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true
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44,
47
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1,
1
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[
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[
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4... | [
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true,
true
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15
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[
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[
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true
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[
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[
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],
[
-0.21248579,
0.423386,
0.71031315
],
[
-0.1539646,
-0.43132607,... | [] | null | null | null | null | null | null | 8.868142 | 2.176847 | null | CO_1308030266525312813022543 | 13080302665253128130225430127970524320246558666277370336728252118356737202651616526320551734217517425973221032219210152404818942401631949624688125615257097 | 8440420522694718379852796980672309363094431077545893182290896631334315540177810610225994531110974288477050396071285856006532612510429962165772030064500820 | [
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[
0,
8.8,
0
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[
0,
0,
8.8
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] | [
[
1.54550202,
0.44863042,
8.78152475
],
[
7.01817019,
0.42730442,
2.11884578
],
[
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[
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[
0.91480981,
5.89571233,
7.88512278
],
[
7.95457001,
7.08393506,
... | [
true,
true,
true
] | Cu16Zn16 | CuZn | AB | [
"Cu",
"Zn"
] | [
0.5,
0.5
] | [
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1257"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5224872757575550089252258 | 5224872757575550089252258515605733317926100848635329727340185317415896805414723517277520503134856151162845882373924202727668903317529054079813224425625938 | 2025-04-16T21:22:14 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -52.845433 | [
[
1.42201032,
-1.10495645,
2.28993598
],
[
0.07724608,
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[
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[
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[
0.41153538,
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-1.09265772
],
[
-0.71710797,
0.2597... | [] | null | null | null | null | null | null | 2.913889 | 1.739019 | null | CO_2409735479350318604995914 | 2409735479350318604995914786784696259226723268218401505078611491411480245153649320558542352000656426112770721036528643036676845969987539636962376823145625 | 5886460550305535970252507291804554142844490299248078156733236524046415164469539408400453011055601597622532238117639963762352116515203161965051020167980772 | [
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[
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7,
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[
0,
0,
7
]
] | [
[
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3.79328187,
5.60734979
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[
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1.52865048,
4.54396285
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[
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[
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4.2756994
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[
3.05957337,
4.21901305,
5.36776919
],
[
2.18036175,
3.77538077,
... | [
true,
true,
true
] | Ca2ClCoCu2FIrK2MgMoNiRuScSn | Ca2ClCoCu2FIrK2MgMoNiRuScSn | A2B2C2DEFGHIJKLM | [
"Ca",
"Cl",
"Co",
"Cu",
"F",
"Ir",
"K",
"Mg",
"Mo",
"Ni",
"Ru",
"Sc",
"Sn"
] | [
0.125,
0.0625,
0.0625,
0.125,
0.0625,
0.0625,
0.125,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625,
0.0625
] | [
17,
19,
19,
28,
12,
29,
29,
42,
9,
27,
44,
20,
20,
21,
50,
77
] | 16 | 13 | 3 | [
1,
1,
1
] | [
"hme21_val_1641"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1032611433076420563020648 | 10326114330764205630206482957167585368484441437001067576424481364706475172399015804197624131305990651957548139698815578682070823897464705090690937687746413 | 2025-04-16T16:09:58 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -141.151023 | [
[
1.6172036,
1.2887584,
-0.04367748
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[
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[
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[
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[
0.56238924,
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0.74500547
],
[
0.02707614,
-1.6042126... | [] | null | null | null | null | null | null | 4.372774 | 1.880227 | null | CO_1338044466561831398022634 | 13380444665618313980226347250003574166462328683943097229235497350679213072997659900377439720699975300903269688358049788565689242506955078927393229873672048 | 13348676446949981682307916707073567666915270116152513402307636812278552048870392445293335146182813027940589919712442003190235930286379261707811610877677848 | [
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[
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] | [
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[
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[
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[
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[
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4.73208076,
8.258217
],
[
4.17618256,
4.28732682,
3... | [
true,
true,
true
] | Mn16Pb16 | MnPb | AB | [
"Mn",
"Pb"
] | [
0.5,
0.5
] | [
25,
25,
25,
25,
25,
25,
25,
25,
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25,
25,
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25,
25,
25,
25,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_2103"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1032743505297734837302406 | 10327435052977348373024062632049478990056051675549969821197586023243635610634209576339155102375342073804498465829621323529542787709459523981054023311492348 | 2025-04-16T21:31:28 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -148.305301 | [
[
-2.20640468,
1.91362909,
-0.19644874
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[
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1.74411066,
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[
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[
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[
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0.67022156,
0.41225187
],
[
3.86378672,
0.7520790... | [] | null | null | null | null | null | null | 5.597725 | 2.669036 | null | CO_8276611198994718849467118 | 8276611198994718849467118037012657830589621575882099906595117782523037722067653606040305302376498451000528392258482305916000676083330487920148614987979393 | 8175763715779780256367952102403194736073987489175359656967081807882413534027039585523397123215451709231441413568148807917182126395395760362168641920925187 | [
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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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2.80179011,
0.14069493
],
[
2.12815944,
6.85222006,
1.... | [
true,
true,
true
] | Au16Sc16 | AuSc | AB | [
"Au",
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] | [
0.5,
0.5
] | [
21,
21,
21,
21,
21,
21,
21,
21,
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21,
21,
21,
21,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1827"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5231389563321595773258942 | 5231389563321595773258942866055854375207171698651823968030617298431469857250628110582878444797775242359902855549268345379693149425003184033287965340095235 | 2025-04-16T16:56:16 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -111.696011 | [
[
2.33127337,
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[
2.544933,
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0.20075305
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[
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[
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[
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1.49148015
],
[
1.25593688,
-0.73090229... | [] | null | null | null | null | null | null | 13.787647 | 2.819009 | null | CO_4428396545088717661891795 | 4428396545088717661891795243087244003929080924471744883486647568846540588094839094425651165943565099167187940402305425403958757844072824400149702664988464 | 1069302617813406698216323709642892997233262098416772758942893485814889132661390879107281726595910768988954909273426545131711845709657744514543389988479338 | [
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[
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8.8,
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[
0,
0,
8.8
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] | [
[
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3.23781357
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[
0.26546265,
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4.13695955
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[
5.18868222,
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6.52601198
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[
1.27550289,
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1.62748802
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[
7.17141128,
7.80226225,
5.05469422
],
[
1.06210993,
6.77433997,
... | [
true,
true,
true
] | F16Pt16 | FPt | AB | [
"F",
"Pt"
] | [
0.5,
0.5
] | [
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1744"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5222562871553781572043165 | 5222562871553781572043165615388546838484585528528835700657539938636059491643069809077104079914582141271666100329628145572100984156534998176765572336746621 | 2025-04-16T21:21:56 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -26.081458 | [
[
0.10198482,
0.1457587,
0.04332352
],
[
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[
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[
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[
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1.83093794,
-0.47637126
],
[
0.10308576,
-1.66394567... | [] | null | null | null | null | null | null | 2.022302 | 0.95172 | null | CO_1269429854611098751134463 | 12694298546110987511344631963014182131965313940354583990019039827469356215819315195716283376428921158214483339118426997522963816422310129102006902688528701 | 8146717478509830153796686182886417765147959941561542083016774729914425396094922168979317375971879418226502009733823322103294927567357742742714432310144233 | [
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[
0,
8.8,
0
],
[
0,
0,
8.8
]
] | [
[
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[
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2.21319393,
4.00411176
],
[
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5.50760619
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[
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3.03950319
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[
1.67062403,
0.07130596,
3.7089448
],
[
0.78208319,
6.70064146,
... | [
true,
true,
true
] | AlBaCaCrMgMoRuV | AlBaCaCrMgMoRuV | ABCDEFGH | [
"Al",
"Ba",
"Ca",
"Cr",
"Mg",
"Mo",
"Ru",
"V"
] | [
0.125,
0.125,
0.125,
0.125,
0.125,
0.125,
0.125,
0.125
] | [
23,
12,
20,
24,
44,
42,
13,
56
] | 8 | 8 | 3 | [
1,
1,
1
] | [
"hme21_val_2489"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_5222014946409613553991066 | 522201494640961355399106605263585565606472896089692690923197557523386100695946288389710422490202162965385345571713961808550862527943120387431391856805046 | 2025-04-16T20:15:15 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -134.173756 | [
[
-0.17920436,
-0.75923731,
-1.19312821
],
[
0.61053897,
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[
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[
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[
0.45196644,
1.43617646,
-2.61443476
],
[
0.30776987,
1.42490... | [] | null | null | null | null | null | null | 4.834794 | 1.893749 | null | CO_6715625629603129882061579 | 6715625629603129882061579358796749432004130874649334408834343793602595572540443723495723517682146972552954789289135188634820010986866000523894375935185076 | 13087503986284457451251348906618590201532919926323047261630599809484323690725679431592396514696450437629934242944640331185954801247312142217847374883019710 | [
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[
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8.8,
0
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[
0,
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8.8
]
] | [
[
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[
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6.98340993
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[
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[
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6.82645964
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[
3.22139506,
1.21829655,
0.59208125
],
[
1.28570033,
4.55161898,
... | [
true,
true,
true
] | Au16V16 | AuV | AB | [
"Au",
"V"
] | [
0.5,
0.5
] | [
23,
23,
23,
23,
23,
23,
23,
23,
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23,
23,
23,
23,
23,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 3 | [
1,
1,
1
] | [
"hme21_val_1916"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1087756008449871755599985 | 10877560084498717555999859913495202356802836484846552915504185951947105559854264885241051922568999602145352743928642584409021901612288628982598839062973238 | 2025-04-16T17:12:08 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -119.666711 | [
[
1.05394088,
0.06751709,
-0.48648679
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[
0.30996744,
0.36658808,
0.57649052
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[
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[
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],
[
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1.27341939,
0.59730304
],
[
-0.76888225,
0.329151... | [] | null | null | null | null | null | null | 4.109572 | 1.593848 | null | CO_7898033295999836432997552 | 7898033295999836432997552426601374147690478098680141162072575981894242311159355594278558238328589126453896158293855823743577933963462438498162696419159750 | 83052708832013163358313789189034699820348112730124169175251854694802507843626584650398003543619928509207674322542220146684395278662258337479337500084478 | [
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[
0,
8.8,
0
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[
0,
0,
8.8
]
] | [
[
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8.79782763
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[
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7.46561376,
0.89111194
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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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26,
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26,
26,
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26,
26,
26,
26,
26,
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26,
26,
26,
26
] | 32 | 1 | 3 | [
1,
1,
1
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[
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[
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true,
true
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0.25,
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14
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[
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[
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true,
true,
true
] | Co8Cu8Ni8Sc8 | CoCuNiSc | ABCD | [
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21,
21,
21,
29,
29,
29,
29,
29,
29,
29,
29
] | 32 | 4 | 3 | [
1,
1,
1
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[
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[
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0.... | [
true,
true,
true
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77,
77,
77,
77
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[
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[
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[
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true,
true,
true
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42,
42,
79,
79,
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79,
79,
79,
79,
79
] | 32 | 4 | 3 | [
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1,
1
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[
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[
3.04332194,
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[
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[
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... | [
true,
true,
true
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28
] | 32 | 2 | 3 | [
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1
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[
0.25782727,
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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,
true
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[
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[
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[
2.62029015,
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[
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[
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[
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3.... | [
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true,
true
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0.03125,
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21,
22,
12,
8,
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23,
1,
27,
46,
20,
19,
11,
11
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1,
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_1033418096503533390463734 | 10334180965035333904637344430094730248105819892937497146923684259630172400111316355401461580505118660208070049746011813473481522892772270911663863192505097 | 2025-04-16T20:34:36 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -137.060107 | [
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[
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[
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],
[
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0.4115835... | [] | null | null | null | null | null | null | 4.738402 | 1.930718 | null | CO_2892280515633451451321284 | 2892280515633451451321284081344311600630504342596234736561415586698701078441082260955150656165977062373919741195957259096217471209191256569346615005306296 | 4632314646060546620325458355272450866056955735157494772243923595710948576328927448287791388821466805860263185355518244138252633048927110770099770323254107 | [
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[
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[
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[
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[
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true,
true,
true
] | Ag2Fe2In2Ir2K4Li4O2Rh2Ru4Sn2Ti4Zn2 | AgFeInIrK2Li2ORhRu2SnTi2Zn | A2B2C2D2EFGHIJKL | [
"Ag",
"Fe",
"In",
"Ir",
"K",
"Li",
"O",
"Rh",
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"Sn",
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"Zn"
] | [
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0.125,
0.125,
0.0625,
0.0625,
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49,
22,
22,
22,
22,
26,
26,
77,
77,
45,
45,
30,
30,
50,
50
] | 32 | 12 | 3 | [
1,
1,
1
] | [
"hme21_val_2099"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1086367465203588043454568 | 10863674652035880434545685982729558457298846793727325205395263926598014577668417629949675203195319448639950482628438324633537885916372757910895592418308873 | 2025-04-16T21:43:16 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -132.274166 | [
[
-4.08099838,
0.49215339,
0.02235945
],
[
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4.85140979
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[
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[
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],
[
-0.41632482,
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-0.08629153
],
[
1.38557973,
-10.67566... | [] | null | null | null | null | null | null | 14.845961 | 4.456175 | null | CO_1229159907124042871997270 | 12291599071240428719972706955055432951098100753985452657711091327422435554487619854923060049248338097473461085056071192945333449302489008256651970559240105 | 10900002601259037854966043324830543433193836408899316988073934644949839551190902538541472945415428599312589844550369422669822224108476554821799388248486641 | [
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[
0,
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[
0,
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[
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[
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],
[
6.18303233,
7.08309686,
6.51385319
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[
8.13298737,
2.9197498,
4... | [
true,
true,
true
] | C2AgAlAuBaClCo2Cu2Ir3KLi2MoNNaPb4Pt2Rh2Ru2ScTi | AgAlAuBaC2ClCo2Cu2Ir3KLi2MoNNaPb4Pt2Rh2Ru2ScTi | A4B3C2D2E2F2G2H2I2JKLMNOPQRST | [
"Ag",
"Al",
"Au",
"Ba",
"C",
"Cl",
"Co",
"Cu",
"Ir",
"K",
"Li",
"Mo",
"N",
"Na",
"Pb",
"Pt",
"Rh",
"Ru",
"Sc",
"Ti"
] | [
0.03125,
0.03125,
0.03125,
0.03125,
0.0625,
0.03125,
0.0625,
0.0625,
0.09375,
0.03125,
0.0625,
0.03125,
0.03125,
0.03125,
0.125,
0.0625,
0.0625,
0.0625,
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78,
78,
6,
6,
47,
56,
45,
45,
13,
42,
17,
19,
11,
22
] | 32 | 20 | 3 | [
1,
1,
1
] | [
"hme21_val_1076"
] | null | data/MD/4357/MD_1024398629573454165794357.json | null | null | null | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} |
PO_1033501644616416867460082 | 10335016446164168674600826801570614893898211452837598129323070399008993627346200220993090531520599956920515958541255629256671740611993481262639755483988712 | 2025-04-16T21:38:17 | DS_vf8hkwxhibio_0 | 1 | VASP 5.4.4 | DFT-PBE | -22.522474 | [
[
-0.22230075,
-1.16165801,
-0.48352402
],
[
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0.21195518
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[
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0.07493023
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[
0.07183935,
0.00830413,
-0.16737566
],
[
0.16711117,
0.21791... | [] | null | null | null | null | null | null | 1.277757 | 0.506332 | null | CO_9675750503648616153646692 | 9675750503648616153646692765745786071159749573608227634537972067488896315522756590854261593601271571390452934964131238561783716733355629628912622005199565 | 11902438858306581674148158759646726895570824067809190019491905215109229681197427722497736479902274142290523195388113391734553981969811845166771256971409694 | [
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[
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] | [
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[
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3.91679288
],
[
3.8565868,
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],
[
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8.45538769,
5.29479746
],
[
5.81830366,
0.47635016,
0.62208969
],
[
0.97511638,
2.06329684,
... | [
true,
true,
true
] | FeMnMoOPbSnZn2 | FeMnMoOPbSnZn2 | A2BCDEFG | [
"Fe",
"Mn",
"Mo",
"O",
"Pb",
"Sn",
"Zn"
] | [
0.125,
0.125,
0.125,
0.125,
0.125,
0.125,
0.25
] | [
8,
30,
30,
82,
26,
42,
50,
25
] | 8 | 7 | 3 | [
1,
1,
1
] | [
"hme21_val_938"
] | 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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