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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1000036943254580911353559 | 10000369432545809113535593045280861562208039417292609975732629184004157209323771074269677495501758773503154278568315581785279830106539138373087702464322375 | 2025-04-16T20:48:21 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -51.234398 | [
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PO_1000055502197763563918771 | 1000055502197763563918771991732401847293822303371943180806570956373755834445801929608022564033541356447663678114718707428920948422807527260909473792256670 | 2025-04-16T21:43:25 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -43.759047 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000004399775102148210134 | 10000043997751021482101342859221212171299110038781925169269994286185001268795878604108825326976644210207748846356770793880955078545596273695521357106149944 | 2025-04-16T21:38:17 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -31.686586 | [
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"data.026_set.000_50"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000043973450496646114356 | 10000439734504966461143561839830820312573254319356285803442431979303004337303823316493478348618563534657463263394659983455367706669226513637619290155737227 | 2025-04-16T21:37:17 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -78.569394 | [
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] | true | null | null | null | null | null | 3.386252 | 1.138122 | null | CO_1244958418728154387802522 | 12449584187281543878025228524582033741952343133431682164603691604155069508873479126971769861966918654603994079844783825592680923291798440310219778981933164 | 5263737869904049535251385622052379739059465226117869680238862448493271980731774657830097136197268869314237648838516674826850241303451875565767801026667191 | [
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] | 32 | 2 | 0 | [
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] | [
"data.578_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000023843873264795382140 | 10000238438732647953821408872085792041215508401383495376864648863429404750107543533559917242117021686901578595949500397688590916698376543911148430609496185 | 2025-04-16T20:32:46 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -49.317526 | [
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] | true | null | null | null | null | null | 0.048248 | 0.035297 | null | CO_1158064297708117458460238 | 11580642977081174584602385030735258548429361783570795988625905230590125691961344443074070539406728685394798245003311828102437950629447270000099600784406445 | 8443849235355830550713388697925853189677059564773505300859598709700092605222021947987313537399546939512186599557366006205262455465148419826758834022153042 | [
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[
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true,
true
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"deepmd_set.000_3"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000026142288805732200171 | 10000261422888057322001712323812192432410197940833470567730892000091301211868170498679800012412411369613605272709301100844489483316291071302259653674120760 | 2025-04-16T18:26:42 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -94.214383 | [
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] | true | null | null | null | null | null | 4.514597 | 1.188491 | null | CO_5780953362356412786097006 | 5780953362356412786097006637136001790965407217888522972830969572887453252759583141663834858485838757428607129413502974426111242732235981326996567052453801 | 3686347483047141704103597771520247519466574851142908407953459161277931736696471256598045560499313663111709563068220030179472103397129896102404041251942080 | [
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[
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true
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"data.551_set.000_3"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000263605439209949283718 | 10002636054392099492837189613547926816924880491418624920151273060499938874255165152022787983787580117440796500236687071850578287615490246376689623842231488 | 2025-04-16T17:32:32 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -51.066576 | [
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... | [
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47,
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79,
79,
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79
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0,
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0
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"deepmd_set.000_54"
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PO_1000202095976210685676670 | 10002020959762106856766709829259765086712015221615013284461269603543375385645115074001001888620545119113599473574453212582219560040580287516797072608404764 | 2025-04-16T21:29:37 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -157.274606 | [
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[
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[
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true,
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true
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79,
79,
79,
79,
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79,
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79,
79,
79
] | 48 | 2 | 0 | [
0,
0,
0
] | [
"data.802_set.000_8"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000124712015963411051843 | 10001247120159634110518430092880539224790749760828294867748440290865321713306914654553313154311449657655883142834570263199881128445776747549444825595601153 | 2025-04-16T16:45:12 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -54.309194 | [
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[
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[
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true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
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79,
79,
79
] | 16 | 1 | 0 | [
0,
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0
] | [
"data.019_set.000_2"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000104250951059270826080 | 1000104250951059270826080364313998214128979257161222980203270140274568318598196987638974790696793525793954780928904541044695604455155768443221589230452577 | 2025-04-16T21:44:51 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -53.243703 | [
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[
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... | [
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[
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14.74436676532559
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] | true | null | null | null | null | null | 0.222919 | 0.112932 | null | CO_1200092875028885508635207 | 12000928750288855086352078309758298369563264768195393726130041175791922871061773684965503476000658810900740318749182469152766756078503596924838882360711552 | 3034581414363359546089354658627235052438881623787677238855004020607163377926664229233252391558172116726195564521803942645077735846476621545206799285502361 | [
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true,
true,
true
] | Ag13Au3 | Ag13Au3 | A13B3 | [
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000148799863599534464105 | 10001487998635995344641050900749247594318073805927032824985587731377754978361023355481688835576665394072673135604574522521092315662927427548709838695871334 | 2025-04-16T17:36:02 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -13.107278 | [
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[
0.7991995759740819,
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[
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248.04725928361796
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] | true | null | null | null | null | null | 1.244393 | 0.830522 | null | CO_1026328041837476599727214 | 10263280418374765997272142566635900176515877546464823479316348781808926829251543302765376685505636148945624389373769310056872511402462597115635137062188175 | 6842550418639592581137883411412251501668818318381273501025501135382904022360879775812571010338400976008164082708585900771704938546329143970248320918877268 | [
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0
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[
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] | [
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... | [
true,
true,
true
] | Ag9Au7 | Ag9Au7 | A9B7 | [
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0.5625,
0.4375
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47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_8"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000198076050313870096629 | 10001980760503138700966294144201011731486500053866162278160456660838721656461611871967216497261475405211120055215990645003525987465820125494375917760825303 | 2025-04-16T17:47:41 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -49.112095 | [
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[
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... | [
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[
0.2631654790101076,
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] | true | null | null | null | null | null | 0.048564 | 0.037171 | null | CO_9058919866343579314269380 | 9058919866343579314269380961566862908641113724816371409351984975782025295659192153027036849689589594376748029470094912837179261099491414229194223887574327 | 1850905124257470901168829695228478041230421364907186367881538796058832760340855224875364798830280264602977111611064729899572083693297702077458213364894471 | [
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[
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[... | [
true,
true,
true
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
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] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_41"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000101374411048418452616 | 10001013744110484184526160303823966354103021782723991682457242082939377866437197052567022081820193024794292541961173129072422203759494345586402115998397468 | 2025-04-16T16:55:27 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -121.542448 | [
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[
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... | [
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[
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] | true | null | null | null | null | null | 0.144165 | 0.089717 | null | CO_3764465177267411054172006 | 3764465177267411054172006373837232583042001479084679374284078376249050251797195685328975325885234499530550272172134963438448612865708676289147945089068058 | 5747953939158784621041665804601344002769250520641520151415178590943736610938461093289519605832115895047583864253881118671983872805075767257636070914789079 | [
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[
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0.00929000042378... | [
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true
] | Ag4Au28 | AgAu7 | A7B | [
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
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] | 32 | 2 | 0 | [
0,
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0
] | [
"deepmd_set.000_72"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000191037983618649425325 | 10001910379836186494253256424706785409042200139180207823230865655708008200047784824740440553727114247026797885934802147454729620125318535019451937934611816 | 2025-04-16T17:38:31 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -68.598809 | [
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[
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0.142465777... | [
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[
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] | true | null | null | null | null | null | 4.506347 | 1.040873 | null | CO_1086839535754426261750550 | 10868395357544262617505503042826032165877795191532733465668325975676452641569018723485373259198814061107541577978037460207359512315615778708193541497897885 | 5515995253015513590304955155923596944144090526339234438781806481264189970320083120776320378565792330315620947794526167859430786741785753756489123473001510 | [
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[
... | [
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true,
true
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47,
47,
47,
47,
79,
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79,
79,
79,
79
] | 24 | 2 | 0 | [
0,
0,
0
] | [
"data.677_set.000_0"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000137864120064821178831 | 10001378641200648211788315486798862610003271108514616745351564878306922277629380095040939940835776842257064452178830939298104779495175829310774671570828941 | 2025-04-16T18:08:08 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -54.188284 | [
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[... | [
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47,
47,
47,
79,
79,
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79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
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0
] | [
"deepmd_set.000_32"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000104212651468667716523 | 10001042126514686677165231027166694914150060872922959519091571606463425374242751859683000287023487919460664824158346034344654921649647458925040197641505093 | 2025-04-16T17:23:25 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -60.027625 | [
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79,
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79,
79,
79,
79,
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79,
79,
79,
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0,
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000100534610328118452241 | 10001005346103281184522414978667710149844547225241470953686042541847994411117723910739270236949930364399906045257474125784053563536393872129453691740936196 | 2025-04-16T17:43:28 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -23.489261 | [
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[
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_184"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000157559269584262761578 | 10001575592695842627615785965220854222908722772075647118916134400365326256957190411618979273602401811114710272738658377381560278945556994724789500112323010 | 2025-04-16T16:29:01 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -21.546487 | [
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[
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[
... | [
true,
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
] | [
"data.039_set.000_76"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000185764965289545258906 | 10001857649652895452589066297292898022504950769809910633964127412796657813976244480188010505453849108557231388282206437423549830900285657697216913956782195 | 2025-04-16T15:09:29 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -20.813435 | [
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[
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[
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] | true | null | null | null | null | null | 3.29772 | 2.112054 | null | CO_1311316176294720223740175 | 13113161762947202237401753988865156904582100603173857764368882563642639017386678633681425805907132985260880102022402617693465371964331395812356220780909392 | 7678249684227408153157595650319835979615898968426173203366243603955006532861151160727158311310859833362679223667038284752106037052631846437265509034984816 | [
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[... | [
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
] | [
"data.037_set.000_62"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000143653598977177872529 | 10001436535989771778725297740754366250518667482824494302753312787464863602825008525437326738210484727558469972682775828814513129758051654494118098803257907 | 2025-04-16T18:36:02 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -21.594096 | [
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] | true | null | null | null | null | null | 2.869451 | 1.991632 | null | CO_6043353430050109353590526 | 6043353430050109353590526456718793454141980352687289321847907253252155765852247545663298144227444369295626965238404427670045280457919769023682160118476697 | 11951602058377350742988955084814177761477292360874532235345300284334540991522608374796534253321482035086715789172997185709308561670278729020094589312450199 | [
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[
... | [
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true
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1
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79,
79,
79,
79,
79,
79
] | 6 | 1 | 0 | [
0,
0,
0
] | [
"data.039_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000154135580255675860596 | 10001541355802556758605966748337139256321049181367855754085432295852619543897131250710016485899528209365506913098626334946665729654307569826145967743685410 | 2025-04-16T16:21:06 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -41.687661 | [
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[
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] | true | null | null | null | null | null | 0.007075 | 0.004773 | null | CO_6368483170646354657549265 | 6368483170646354657549265196291556323745298799891464878028439219835188531080413840481587869727766102323832032949951801751034673097433330987593231171719712 | 6693443879745631514671270884980528697926251427946974662846516674279262461759248590862142765331863433998039709531348968303865936715942751286917194377781128 | [
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[
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PO_1000333288690455813576148 | 10003332886904558135761480031566565861616704046179482880342160128359108663313527582059119470867768989930705834404299056339229563940604626995794254267137641 | 2025-04-16T21:56:50 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -76.883996 | [
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[
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[
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true
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79,
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79,
79,
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] | 24 | 2 | 0 | [
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PO_1000356742662881725934801 | 10003567426628817259348016240996470510935592808161319282603322251552343400210147995592440713675435682300053074853073167992656573459737918293633553347517634 | 2025-04-16T16:49:28 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -24.732815 | [
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[
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0.4667951... | [
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] | true | null | null | null | null | null | 1.429716 | 0.768061 | null | CO_3508899491762183369479967 | 3508899491762183369479967974184553100384951776388003976654715261158308615124956308101137796167617504709914095554623234940308090689209679204243460098942 | 13323188061578305031124397416774812427028136144457901754739079704299256395415507218128072482778889215443399892721192675057262177401500273567208973186697392 | [
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[... | [
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true,
true
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47,
47,
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79,
79,
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0,
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0
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PO_1000415194681358575310214 | 10004151946813585753102147886786040693812719582418053593525970987176841442786136838143726388747930129683607335503704183903102281509368553102674196203189248 | 2025-04-16T16:52:33 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -49.880272 | [
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[
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[... | [
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true,
true
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47,
47,
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79,
79,
79,
79,
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] | 16 | 2 | 0 | [
0,
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"data.450_set.000_7"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000495979367542582350834 | 10004959793675425823508341191444871786883707729587390791500168121159312820185938489396682679505037541903975874519953444836474460878667342589284103938996369 | 2025-04-16T17:27:47 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -59.51043 | [
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[
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] | true | null | null | null | null | null | 4.005342 | 1.412513 | null | CO_1147986963055472391406992 | 11479869630554723914069927887082158153604000804968272562666355840305788209129943195105144579550355318692781096045833787936619801585695463282546944015172637 | 1512566845189120574553851361377222220306831705159431853331682940773995156320512640780450773794780606229374397839346033533532987890856808050936601085075419 | [
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[
6.146160125732... | [
true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"data.011_set.000_3"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000441631769800681633881 | 10004416317698006816338814871391587474099447761948713074631900401864617904137126594670546112832215382626574276175956364964769098493305799797227248213462336 | 2025-04-16T21:37:22 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -57.523748 | [
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[
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... | [
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[
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] | true | null | null | null | null | null | 0.115156 | 0.065024 | null | CO_4341594223425098682356130 | 4341594223425098682356130682016309731548777814645962779167282383820871746926330807648112084780893794527554145679878546307080908918896715929887027278072109 | 1643262153293924871493595109140890287094757907806661746795876949388047681063326339118057631908037604385989330159725390038464564967573864213432152935406288 | [
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[
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[
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... | [
true,
true,
true
] | Ag7Au9 | Ag7Au9 | A9B7 | [
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0.4375,
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47,
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47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_51"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000476867621099464394953 | 10004768676210994643949534452781590582529049569890008896780279024322592255778585153841552646427995537722016774245801513045789463495620532019487293325019859 | 2025-04-16T16:05:18 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -92.934874 | [
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[
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[
4.4921470179788585,
6.810215961484882,
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] | true | null | null | null | null | null | 9.334879 | 1.828067 | null | CO_9153012253895865307653871 | 9153012253895865307653871611624509303285169036584084455463424306575154472130572326010000195531522533754061550663690606409819561058327148294643451603284302 | 1462864243221728509427840538852462797211132343070676215546944402828245981635659902023339491670967779930511537735318955100806145139940020446635019056946993 | [
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[
... | [
true,
true,
true
] | Ag6Au26 | Ag3Au13 | A13B3 | [
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0.1875,
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47,
47,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.528_set.000_4"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000413987197627789044809 | 10004139871976277890448096584855873787506900422932317325628239613750476629540054969626875904761396701138632934257213214922418785473567668652473396555796705 | 2025-04-16T16:23:19 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -27.099417 | [
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[
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0.24... | [
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[
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[
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0.7621709654391957,
161.78447796609143
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] | true | null | null | null | null | null | 0.893997 | 0.534002 | null | CO_5103241025705595873464143 | 5103241025705595873464143774496510892843151763153529867223143805960034143440434070594631347859982069366521568582725144230754712416913581669563356773545897 | 10479058668079675737405336470844911882860062848722253321035420356340495282007536087736272227110773118394494709466845324180003681509116128525342352156269916 | [
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0
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[
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[
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[... | [
true,
true,
true
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1
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PO_1000481339442775057740711 | 10004813394427750577407117556541637977239577014728542208133452183802544271434515907530705249503693661112658875655863649414315499633588595349658010090129225 | 2025-04-16T18:45:21 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -45.406823 | [
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PO_1000589844431005631417255 | 10005898444310056314172557245374630295604902105911147981104712472907184419244445572099397529954806303646314950847627855307671054154586545424561331953040842 | 2025-04-16T16:56:16 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -99.588124 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000536500902942196395936 | 10005365009029421963959367798197337522819030737485614661289899418077057583394059355069959650117245968909090861594323534659149995485776932999647019744636818 | 2025-04-16T16:57:01 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -42.304778 | [
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[
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] | true | null | null | null | null | null | 1.538345 | 0.795023 | null | CO_9448326453051124440048688 | 9448326453051124440048688626280773414096813371416849865103181525571258324577915571147540789724768897434578852110366173024237077125953991968351194734404248 | 5109222611116748310273174280935396701001671689801510325167219631496780895170056656184051594167579626085271910138360558857745840009441355948857807089014207 | [
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[
... | [
true,
true,
true
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1
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79,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 12 | 1 | 0 | [
0,
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] | [
"data.027_set.000_43"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000554855158107248496385 | 10005548551581072484963850547345009299828861510853171439247761467904019290102801431162700961209423205528105803238276501317789207291807460776016753900579711 | 2025-04-16T17:18:55 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -148.62822 | [
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[
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] | true | null | null | null | null | null | 5.577933 | 1.413587 | null | CO_2596002638725995828317564 | 2596002638725995828317564085978104291078229211458257414611947691143183505623980396906319842150477441046729209511496258362683656281841387950992922504691057 | 11564898034325355711300888656997518897576023660123343280119921261942959260888074875835316000184608164687960237904685530000348524900975353904616929779320258 | [
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[
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true
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79,
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79,
79,
79,
79,
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79,
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] | 48 | 2 | 0 | [
0,
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0
] | [
"data.821_set.000_14"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000599734205079693564339 | 10005997342050796935643394372830227247492262714270952991876971425939613453606574992891570305398458589665652109395825646751050922496187217752619602677289908 | 2025-04-16T17:18:32 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -17.984383 | [
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[
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... | [
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true,
true
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
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] | 16 | 2 | 0 | [
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0
] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000592549326607393999409 | 10005925493266073939994094845573600390050764408039780702316032019589237772709399675249367352740073877680066896495389992650417929832103341820915297850402400 | 2025-04-16T16:32:54 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -56.489622 | [
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[
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0... | [
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] | true | null | null | null | null | null | 0.117563 | 0.066261 | null | CO_6729963810521182075887786 | 672996381052118207588778675383193766074486790032701645967605993416872419263748977987588340651566381648306382755399846991044202623914174575187497546577687 | 5431267350311836134590311603849985542839459061264764956516772622073021769788389351802824287267873491455726719744908072687937364547876207046831258440500198 | [
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... | [
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true,
true
] | Ag9Au7 | Ag9Au7 | A9B7 | [
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47,
47,
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47,
47,
79,
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79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000557346715518966396583 | 10005573467155189663965837906751066033347324712611598036347900165013013997124891404428313837995359848777750421463486070974818523648815263506875368915813051 | 2025-04-16T21:29:37 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -59.929075 | [
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[
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[... | [
true,
true,
true
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79,
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79,
79,
79,
79,
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79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
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PO_1000531175919178169908004 | 10005311759191781699080040440966266996269171109706969299847530842553534983070604775033812258430030748053197135066577383507047295859307293320636944605207245 | 2025-04-16T20:58:52 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -105.934925 | [
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[
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[
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47,
47,
47,
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79,
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79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_0"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000512791609018365795713 | 10005127916090183657957136805525057490803765179640271677079272694006413892391818195665996739171671950489215381658983315552375019501012155225641831929137766 | 2025-04-16T18:10:42 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -86.420473 | [
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[
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] | true | null | null | null | null | null | 1.263389 | 0.64533 | null | CO_6774186301930603881886077 | 6774186301930603881886077055528089174376427052890673512516568607609604042936705341073500204640131967224713169311606032677490294659638365286569441835438777 | 4563164753033063550884960025709392851616364275993287952721769171193443453911142690105117750753700985163317549912179420411570075248116233605451908464346903 | [
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[
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0.00471000000834465... | [
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true
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47,
47,
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47,
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47
] | 32 | 1 | 0 | [
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000600791521040945189501 | 1000600791521040945189501258009517581037237597191879460921711849953990069040543527938440336488017126946282802532463723629617525193591959882840817232334890 | 2025-04-16T18:16:44 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -38.97186 | [
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[
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[
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[
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[
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... | [
true,
true,
true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 12 | 1 | 0 | [
0,
0,
0
] | [
"data.025_set.000_65"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000640610872574579555610 | 10006406108725745795556108858569964132018103345362367365673517397400855580142936980397580294157906585875090019755661919753359615807733109034489927064541084 | 2025-04-16T18:59:11 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -51.893048 | [
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[
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[
2.635446690801799,
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] | true | null | null | null | null | null | 1.046102 | 0.572469 | null | CO_1433395980537902372740571 | 1433395980537902372740571249962649697870250647404820905662892818676718465070857136530814215665429181388713114584653517762774082363530608140881585921243691 | 2908034695596289634606533706303021054944826624515396616782385637262165617723309546060695474896190536409537118533651487258492540181979100533186526049552171 | [
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... | [
true,
true,
true
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0.625,
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47,
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47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_218"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000615095305040141590562 | 10006150953050401415905623325484276015295608084875972384242056654051578259480384959652542895527225777493209905418424819791110237438295596524636265664020425 | 2025-04-17T17:45:49 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -40.577319 | [
[
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[
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[
0.11823650186266235,
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] | true | null | null | null | null | null | 0.02035 | 0.010755 | null | CO_3663303408569952560151633 | 3663303408569952560151633938596334630583455336334107981404746646017748867330314964832491681759506110845212169584511753082041106383006349754980270209968595 | 1678999464771601461024998064663057299938913193614723606068825504983997875339239104734830226973889404891848718904614891843575533665877658968430925222191031 | [
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... | [
true,
true,
true
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1
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_449"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000704093697104593101588 | 10007040936971045931015885912715932506435359212522011127614614572581720599201156268148987352171595903898526046025214452053532578443328538495714635340219265 | 2025-04-16T17:19:38 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -108.075057 | [
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[
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0.2907142496776744,
0.28786074756021... | [
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[
1.1740531979468032,
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] | true | null | null | null | null | null | 4.631826 | 1.243004 | null | CO_9227784836105460361206976 | 9227784836105460361206976865713098593780418696684572672970713030966502206843345845083402862133846230896179958140470175329864892979260908184886103607889325 | 11792288680938182176062342477787422072310662279836126131632136450415754195602001967733429136713938793809624601669471804777511275426000596305039391402892662 | [
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[
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[
... | [
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true,
true
] | Ag16Au16 | AgAu | AB | [
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.120_set.000_14"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000854604064649336414888 | 10008546040646493364148888903432853467803936859969839931540702255411889809135475589966084497351426185229890477547852759047827465095926957335725274135341004 | 2025-04-16T21:51:00 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -41.479759 | [
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[
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0.075149... | [
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[
1.56581247120228,
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15.978139800178862
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] | true | null | null | null | null | null | 7.868939 | 2.82708 | null | CO_1305190498541218870777053 | 13051904985412188707770531578415647816979530608039539023875782899646104010298431390196180830862277019539034784963497410383984341010062973113951905353676150 | 1179349810901584634021414173037021001735632720875292755731393707006564702697690502877971877334522869287189044847561241223893756931355556042850048501547063 | [
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... | [
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true
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79,
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79,
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0,
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0
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PO_1000854545078354081194581 | 10008545450783540811945817131684945627467777483968023970209255209056599575401623633261030266848104547897340650628877520039260347534238878697844026603335953 | 2025-04-16T21:37:17 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -106.776031 | [
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[
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[
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true,
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true
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000891602551196883900373 | 10008916025511968839003732288021598763613863911446254643784317778611015949289255953274489471422795930596592524131235433733916785601489317188136530098450351 | 2025-04-16T21:09:01 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -103.211742 | [
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[
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... | [
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true
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47,
79,
79,
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79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
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0
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"data.184_set.000_9"
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PO_1000897424931170740061945 | 10008974249311707400619450047608201020165407170657402789008870896607929838318477988762528136390491741633598401108324485250074530951995897076771236757499323 | 2025-04-16T22:04:30 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -55.158682 | [
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[
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... | [
true,
true,
true
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47,
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47,
47,
47,
47,
47,
47,
47,
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79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_27"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000933293889467452291865 | 10009332938894674522918657735065194712358026798509511664788089436732715232620693148698753035681543787392603586657894045911196300290342795785966476618504502 | 2025-04-16T20:58:52 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -30.909352 | [
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[
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... | [
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] | true | null | null | null | null | null | 0.179879 | 0.094911 | null | CO_8114138544858982383457385 | 8114138544858982383457385395354333472629169208131619909411233176322492157612244143684463716978344792589667023840951763017482935509193114200151862330415466 | 9041607686731921287228142699600291916900299401563915205339460239725977145462980499059693178412670058278672343922177661164220163402629620020574034102157688 | [
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[
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[
... | [
true,
true,
true
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47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_104"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000922131801207906517149 | 10009221318012079065171494984457534112225974409371792332666729105682767073282700681550335450221200719158999354124074643029572695905108231844295383618186898 | 2025-04-16T21:43:25 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -24.430388 | [
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[
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[
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] | true | null | null | null | null | null | 0.548502 | 0.260595 | null | CO_1195286517712648720871075 | 11952865177126487208710755406491932451609118384578320851411952035398145366293470114355072267915509129755989044711720057181394367943758854754670498218165196 | 7552297958802534210572280563758209397560798829434681740186546354045452895960627980264530465658438439400766475536261244001521949094589468556396921408624182 | [
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[
8... | [
true,
true,
true
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1
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
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0
] | [
"data.016_set.000_45"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1000914352776564116561617 | 10009143527765641165616178696509533252675543790375217248502029097653253755398295714004984883541834553183151110584087847013254917439244059994259020728006114 | 2025-04-16T18:30:26 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -60.972865 | [
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[
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[
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] | true | null | null | null | null | null | 0.435578 | 0.296696 | null | CO_4416928645452396428930468 | 4416928645452396428930468108407276079043853391670679146358435892134369059363636190617845756017704099586618090755292488276918743087048383697453283887576102 | 9531260877469891458045054587835161952025710477007181161731079844912372422987778525618866228648018679423410277877581159839485712368252722853243911650858653 | [
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[
... | [
true,
true,
true
] | AgAu15 | AgAu15 | A15B | [
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0.9375
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_295"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001042288703330670136991 | 10010422887033306701369919661132252195800612648812393668779081108187333254165640010813547885515337695341670203973618795290789408558193715927633437291666423 | 2025-04-16T21:13:01 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -41.653423 | [
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[
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... | [
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[
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] | true | null | null | null | null | null | 0.094199 | 0.041864 | null | CO_7516835966477342591332538 | 7516835966477342591332538650814076544817243164857879726925715297837835638243009738360066715532249193012998247121158917687587906004482609838312492190618127 | 8641945352898223330391113920456818653031091890848086587077941457992400969768174125805614717854421224334072417429101237854995558925233713275842888374269283 | [
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[
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true
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47,
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79,
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79
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"deepmd_set.000_178"
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PO_1001156564706213131232924 | 10011565647062131312329241927019517615776869788358707560008845973551493225267969938258451256701440083874570410029900982298495912290611755365357569529158104 | 2025-04-16T20:35:09 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -55.91242 | [
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PO_1001163583930468078074508 | 10011635839304680780745081096789639870973895511923118717362547851900611027055352254330216789923579991733685685544543462020443822396557655558558016098784851 | 2025-04-16T17:55:11 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | 37.178837 | [
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[
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"deepmd_set.000_166"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001130446378515853577394 | 1001130446378515853577394534365132186286685933398753946138667965290878574492619112566157707489464907104105756276596533605138806504475914382515927953625146 | 2025-04-16T21:29:37 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -48.259422 | [
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[
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[
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true
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79,
79,
79,
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79,
79,
79
] | 16 | 2 | 0 | [
0,
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001194167736949431776603 | 10011941677369494317766035917897964675923873395750216988602609492235258397460217684119822297658002493069555878465802894221182144432012911239102861543111166 | 2025-04-16T16:29:57 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -90.660893 | [
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[
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] | true | null | null | null | null | null | 8.997037 | 1.421408 | null | CO_3811881958541187869797813 | 3811881958541187869797813429510933344600963721755297526024040175531476274285561555078804449899140445492283804360412970255450724638570830516717362978520409 | 5214852925486968971446250210664112266853409984377455857016140294550340489578072738576157014830896936633834360446554394008939671383207172774112634798520119 | [
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[
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true,
true,
true
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79,
79,
79,
79,
79,
79,
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79,
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79,
79,
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] | 32 | 2 | 0 | [
0,
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0
] | [
"data.536_set.000_14"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001156883536974060741818 | 10011568835369740607418189973822961919081342880644978425947392505262691287108977224133602655368384199545108861627884746501635365611658884069558034477684409 | 2025-04-17T18:48:22 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -40.379394 | [
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[
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] | true | null | null | null | null | null | 0.111468 | 0.069586 | null | CO_1008122674933681083042398 | 10081226749336810830423987041430396315504430016862825382165125907826533002113666026679746136205206235210361129734257901673232492916188859129774169043204978 | 9051388901004806818201199909452681245176792807399058719971800603534320287694350750276973792941014411977994636536950337229999647268569763782039753060973614 | [
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... | [
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79,
79,
79,
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79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
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] | [
"deepmd_set.000_314"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001181514603781826165264 | 10011815146037818261652645516309717549441850005786331465530807660582960547963850232152313680401590137542115625251174504997263221160540979498229570425356312 | 2025-04-17T18:37:27 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -93.459401 | [
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[
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[
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] | true | null | null | null | null | null | 4.443043 | 1.125593 | null | CO_1192303360363368941623490 | 1192303360363368941623490106950512232067233162616030871927936267146864444126908237114358115654443365557175984450759479706363855255330759357767223290549319 | 425619569119208366059984063885691402822801591886350262898702838727249196072662076565000207830263795638982733432136610373280275906655726398337861008313503 | [
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[
... | [
true,
true,
true
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] | 32 | 2 | 0 | [
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] | [
"data.605_set.000_1"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001296533232703043615348 | 10012965332327030436153484848626010719508370305708543534415667685219941581092076575155572268341261580439848375692702930017896881025656061246407570460713170 | 2025-04-16T16:54:34 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -64.63977 | [
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[
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] | true | null | null | null | null | null | 1.466689 | 0.750247 | null | CO_6739017198849622991174199 | 6739017198849622991174199349239246397335035830732548285719023644558510345095573318786999009044119961787008024737594605961888648310868942548533371397206810 | 7758252363106288606197334223313363072062487169560513456069632264331939701859928209768298121872010609841354740963398253281352894170586331140043159575812442 | [
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[
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[
... | [
true,
true,
true
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47,
47,
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47,
47,
47,
47,
47
] | 32 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_175"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001207072222039979675472 | 1001207072222039979675472132620029016927473581372206663402245495616342797327511788536343309443322607215604386930510914901134175914306080429111069248666333 | 2025-04-16T16:57:08 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -113.801796 | [
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[
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133.33065990036147,
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[
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135.09271847398318
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[
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[
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... | [
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true
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1
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_660"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001279708051410346631711 | 10012797080514103466317110685621856948724260905476968416677317309273034251622437788927104146349120797373476596681588228409273713816727553988161029210054141 | 2025-04-16T16:54:00 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -55.155717 | [
[
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[
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... | [
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[
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[
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] | true | null | null | null | null | null | 0.119012 | 0.053902 | null | CO_1813616846281440343519034 | 1813616846281440343519034544098255029856458136485432077094720375272960830310503178083150433752688954918060727765259470534012666426646687392418611845032722 | 13125961158839417298986757687121867133303162683717332984240836098188644877966774857059956199853896059769522173874343930674639060994852960854628415094139147 | [
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[
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[
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[
... | [
true,
true,
true
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0.375,
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47,
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47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_73"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001341458286086997374724 | 10013414582860869973747247788304157451644225327466769265176753450249580660820451550925283696455966152330287794063267420751402669940551150269796740786753796 | 2025-04-16T16:02:31 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -44.213959 | [
[
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[
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[
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[
3.1938402148213663,
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3.5779135432534073
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] | true | null | null | null | null | null | 12.068834 | 2.938483 | null | CO_2471792705029681758512971 | 2471792705029681758512971176588792854730290826830784194691668560918726532075249470572270479874009212461109912471238883594200267199450035965752521926301700 | 11816209788615507196401331754063348972013137680958216523808185982692525796157079440300958013815114523994262854679833047574625368068141480560681005956518578 | [
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[
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[
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[... | [
true,
true,
true
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0.875,
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"data.474_set.000_11"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001306555417576113582309 | 10013065554175761135823099806618069408287327317112362209790509990551108581739090296053704236175743943827068923853570553365160273836265626050532644570362646 | 2025-04-16T22:04:30 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -101.938254 | [
[
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[
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[
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0.00030099861757272... | [
[
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[
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[
3.5835041960976595,
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] | true | null | null | null | null | null | 0.036443 | 0.016719 | null | CO_1315420560503707439416282 | 13154205605037074394162822396173326328491121691994274852446601194255910801848452691433411703938788138664856911004075217027236414740988831126683947052650553 | 719028042067627096036960803907566414968094275449023405647272591007149812494123078096112624974347474328642619875683983926996751352349013357073474908433202 | [
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[
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] | [
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[
... | [
true,
true,
true
] | Ag30Au2 | Ag15Au | A15B | [
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0.9375,
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47,
47,
47,
47,
47,
47,
47,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_80"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001345347209225275543715 | 10013453472092252755437156450564662264450719087248152286687495664408589972106999126884095603049654247053124947638704249326501917143482883201796076452161307 | 2025-04-16T17:07:04 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -107.81909 | [
[
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[
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[
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... | [
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[
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4.06185334652899
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[
0.4838552205973934,
4.06185334652899,
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] | true | null | null | null | null | null | 0.114785 | 0.050143 | null | CO_5066947580219471955450498 | 5066947580219471955450498894187610792936867124027411360952017847387272397273519599824149728107425218971799707172441699214680071898972318179757385836254578 | 12521445318600824874405800818853216481589738061727437869798810816794096239334597839398138413742721784616481890764281977430227140435479308560454727150722360 | [
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[
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] | [
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[
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[
... | [
true,
true,
true
] | Ag25Au7 | Ag25Au7 | A25B7 | [
"Ag",
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] | [
0.78125,
0.21875
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47,
47,
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47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_56"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001317309749246451644672 | 10013173097492464516446720655353478956770513049436805077967235346224569807371618024559436101594777117292561192955220658371591123047441701570920945894480582 | 2025-04-16T21:13:40 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -108.434945 | [
[
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[
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[
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[
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0... | [
[
15.60218395603739,
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[
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4.277067270573858
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[
2.2147338305571456,
4.277067270573858,
14.931833400220114
]
] | true | null | null | null | null | null | 0.201546 | 0.115607 | null | CO_1087983850660610345481996 | 10879838506606103454819968203984735071289590522654660930302832884311916066990278959431547250031916599901056286929585934194659285353482457601242855425143648 | 1058176750973361316426033276670330224884578683200646135203053985998456782480268767165760141567773524168956903508189408172383593467311381177006907362087190 | [
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[
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] | [
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[
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[
2.0810799598693848,
7.683730125427246,
6.151309967041016
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[
... | [
true,
true,
true
] | Ag24Au8 | Ag3Au | A3B | [
"Ag",
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] | [
0.75,
0.25
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47,
47,
47,
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47,
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47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_20"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001428620531572523477391 | 10014286205315725234773919126422769735023373430895323533280147792293905201876883073180820199795238119946331448412280347059221992025433623824867278719957933 | 2025-04-16T21:28:46 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -58.915872 | [
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PO_1001410706621232843974933 | 1001410706621232843974933487868992146195289537799412043614509422239628209308984955926007323104846508668431440684719216694734949995251995798660103357994140 | 2025-04-16T19:57:30 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -52.438161 | [
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[... | [
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PO_1001503170160263571652693 | 1001503170160263571652693326317959095721464930459383258179220122132552081693359553228739211186017189461104290186409508495560157705850911225280450777215113 | 2025-04-16T18:33:43 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -18.679109 | [
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PO_1001592157235968412915867 | 10015921572359684129158678519842087495358338589305156046026184544767110589493283619413279846511966897959135059852375152408852407695241424021362739254977346 | 2025-04-16T21:52:07 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -50.307739 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001530547572582646257820 | 10015305475725826462578209719315304537961328955791867622544218014891666881742960311720373450693609534093539786735404733357705261538072380725990760860485751 | 2025-04-16T18:04:10 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -44.712028 | [
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[
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[... | [
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true
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79,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
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] | 12 | 1 | 0 | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001505166938309752571198 | 10015051669383097525711985280033924799678566189703322299807098649655032913879156806824247725498352224882450055231735513898443387651099461808698534887830677 | 2025-04-17T18:37:27 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -99.033775 | [
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[
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[
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true,
true
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] | 32 | 2 | 0 | [
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1001536588564792397664043 | 10015365885647923976640439163569578779934380754580182217153582843701495685105935646201054156955169898648408869420073354392790061087226193133770458758471408 | 2025-04-16T22:03:29 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -90.974616 | [
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[
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[
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true,
true
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79,
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] | 32 | 2 | 0 | [
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PO_1001568409076381425890572 | 10015684090763814258905722466553505292450816126535945795888682615787342551088957419286237440035098663050429332647195642405948824022030801183746982236205728 | 2025-04-16T21:43:16 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -140.022367 | [
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"data.838_set.000_1"
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PO_1001547385349147626082485 | 10015473853491476260824859317722149363688134902261740802910742653660728558936721797118415634574798523353719011089741192963668374202607408523489820865385347 | 2025-04-16T16:23:19 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -108.001374 | [
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] | true | null | null | null | null | null | 0.066154 | 0.033617 | null | CO_1021577013366400705231540 | 10215770133664007052315403086330671293168567014958387014401133015176100303224752612776722452796012585748258579199672549969239645950261686855159359658327194 | 1793203868946543591898963521649619668303746071049645261590686913270946478172629371266654865378492468772137772064410507136743571427050768950473080155943731 | [
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[
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"deepmd_set.000_130"
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PO_1002483747274964964012604 | 10024837472749649640126043444715821363820447143600625261679833055674601060824957515413688003810269229351243573486880223273424851841758771598256530594009018 | 2025-04-16T21:21:56 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -39.05998 | [
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[
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... | [
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true
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79,
79,
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] | 16 | 2 | 0 | [
0,
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] | [
"deepmd_set.000_338"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002470894196412697807584 | 10024708941964126978075846899454597385300135615106416821154528207955421570139006726247719265715913120306495000609619954792514532535146172984552824614113772 | 2025-04-16T21:37:22 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -85.779671 | [
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] | true | null | null | null | null | null | 1.565723 | 0.826108 | null | CO_2008083644040283410755418 | 2008083644040283410755418552678687458065827467235632852491579293216194605634735676431934461792020810821736034545737829198015787744004857751240691125188021 | 10313270816420672875938566585361791946958216747720428619682238375487901023593643975668231223045871542802102778992348391444383561898531401304889315395301784 | [
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true
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79,
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] | 32 | 2 | 0 | [
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] | [
"data.636_set.000_7"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002503515986093940189467 | 10025035159860939401894677565562776752673750703711532571246991314798848052764037366629643800815449492107710203483813989417986692290147840998442972211277479 | 2025-04-16T21:43:16 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -42.411364 | [
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[
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] | true | null | null | null | null | null | 7.262342 | 2.595056 | null | CO_7083406408732556053019032 | 7083406408732556053019032215286984296461719102066100593399306770226002464659375652880924940468737588244932051262568198184562883664014463477087982932085496 | 1188475389003914556194511492327193040899668627915398764751774052583625218386239110789599471511454072859526345460429755262725356894415256055707229096384012 | [
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... | [
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true
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1
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79,
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79,
79,
79,
79,
79,
79,
79,
79,
79
] | 12 | 1 | 0 | [
0,
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0
] | [
"data.025_set.000_9"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002540458621215861743649 | 1002540458621215861743649733015156096079913316686686649306659240292270732809283259085271424221169133515972611984324282394317195276883486675149746008797947 | 2025-04-16T17:18:32 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -29.167087 | [
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[
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[
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true
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79,
79,
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79,
79,
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79,
79,
79,
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] | 16 | 2 | 0 | [
0,
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] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002507746645669383132709 | 10025077466456693831327094278257728890979470961589829816026759420703119263089272692007032984051702019399406852243999162205512010720941879247239502047227538 | 2025-04-16T16:20:59 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -35.004565 | [
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0.313788824... | [
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[
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[
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true,
true,
true
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79,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_199"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002540570396362398687128 | 10025405703963623986871288705003008896766136288346806555392499949308252392471348255771816420666986073961654554347790155413384830468503003932931684915657815 | 2025-04-17T18:37:27 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -98.229195 | [
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[
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] | true | null | null | null | null | null | 6.465521 | 1.994882 | null | CO_9864021842465023164011913 | 9864021842465023164011913282476869145959011194603630660879989298447021719005443461401509481517619289490850379989135409114967140967938290120679763255337109 | 10495236328027086034583867859606147148182694827272948125347035300437223366136130520578181614229011111849709714087251392185399810177777711391544108277604481 | [
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[... | [
true,
true,
true
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79,
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79,
79,
79,
79,
79,
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79,
79,
79,
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] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.716_set.000_11"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002680833527515230412640 | 10026808335275152304126401625997774507204381790297244579129934893496068776230826254953448861967438039425983145373987774815680296990253422019456886027715288 | 2025-04-16T18:29:46 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -53.673471 | [
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[
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0.0645... | [
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] | true | null | null | null | null | null | 2.754012 | 0.718741 | null | CO_6431089924567971988440749 | 6431089924567971988440749301082706085421692777757617078841033461329579775601263890419472904516149576956425948121899642304022444354625660109032854257884336 | 12355286938055340782825456522458903391760720293599973681129309556756666558298164500811232076693349572667521353923838106933681586252933064311722997675095433 | [
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[
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true,
true,
true
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0.375,
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47,
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47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"data.408_set.000_12"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002696598045925448838966 | 10026965980459254488389660398975026698993123166445623343019491933211141793631576254175388111843543825698541157808444347263878798019112773520069499724193599 | 2025-04-17T18:26:41 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -56.486544 | [
[
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[
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0.... | [
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[
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7.758017496237599
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] | true | null | null | null | null | null | 0.196368 | 0.108228 | null | CO_1129861698539815528687764 | 11298616985398155286877646838997411336049571292801151314244547443249056082770289245605289810358773554819851423714524213246940780296973419850031996070203630 | 3441137719054709596617152206648226141039827434725771905703775392415683550607971212794566271421027259475431408494219069661394126150066991482585325982830402 | [
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[
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... | [
true,
true,
true
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0.5625,
0.4375
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47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_55"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002608628887870610568933 | 10026086288878706105689335413269985704479770306995490737845791410425538933372676464303616675052744822018445128475572094073227893993555630520843163109443345 | 2025-04-16T18:41:25 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -101.37212 | [
[
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[
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0.2489... | [
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[
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29.595133347321852
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] | true | null | null | null | null | null | 0.535348 | 0.280768 | null | CO_1722432429543776554566633 | 1722432429543776554566633581393276323253616651260514928801248647559361288157712850712679419863825941940672012852289463864937145373773542394085419043397634 | 6332134972815447608488920259860038066170525879570597681244483675137532873955188691624990071736607054646173369287840469752052921889875283667165899828273798 | [
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[
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[
... | [
true,
true,
true
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1
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 32 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_610"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002864566981907839233203 | 10028645669819078392332030539602099352019829256708880811788436861792527097713115112022089057901565289149249488791839949799954373170680817022315497462459354 | 2025-04-16T17:20:02 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -49.476155 | [
[
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[
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... | [
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[
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] | true | null | null | null | null | null | 0.138746 | 0.085341 | null | CO_1076293255698671589885598 | 10762932556986715898855988447457124962458063492375184830273221752953262395824090714813100260997087858439060244458817883667394244480766633781373176114509053 | 12694526106840434198466700355452746872577934210933845862939024386730480323553516570826922612071683960086738833704952771773060436706064713227175615342200359 | [
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[
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... | [
true,
true,
true
] | Ag4Au12 | AgAu3 | A3B | [
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0.25,
0.75
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47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_120"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002811426067941005735056 | 10028114260679410057350561074627990223901445748765911760496777824897328796793983890131423575285911116916808499412147186933672474501667729777069523012237324 | 2025-04-16T18:44:42 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -46.759639 | [
[
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[
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0.0... | [
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[
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] | true | null | null | null | null | null | 0.149794 | 0.071945 | null | CO_3175101900809774379679020 | 3175101900809774379679020037967444199886241225734285783227552968500866804672643191906186420281880970211787353605919649885430435115360758132440564065355483 | 3623915762120193791423347767082170394785704361126419622875421980032948985209201188585151267085507195215712422134574160169585452828827237345277201400739752 | [
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[
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[... | [
true,
true,
true
] | Ag5Au11 | Ag5Au11 | A11B5 | [
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] | [
0.3125,
0.6875
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47,
47,
47,
47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_209"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002891662787700121014349 | 10028916627877001210143490180360815880770619871293319380734519634554698718963107033883701584788281301005454946645127697213410737538567946103986660830486637 | 2025-04-16T19:57:47 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -108.331555 | [
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[
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... | [
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[
0.030104613691468073,
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] | true | null | null | null | null | null | 0.129763 | 0.055241 | null | CO_9150882026886848659025732 | 9150882026886848659025732503951167107953566088331710984158189855616331316600295802069366625453590328023599353902912599146716210644105999531810698489585814 | 9101345871876157584244951347732738150671832859792556784695973093998301438823292422645332970755939995448809729597984660903766403700776410650609649488226546 | [
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[
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[
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PO_1002829324712910082974236 | 10028293247129100829742362769856800418471737275622733807076415884262619407079918205125563374788265260585340936713238727185877253865616578884167110114756469 | 2025-04-16T21:29:37 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -45.867423 | [
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[
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[
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"data.472_set.000_7"
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PO_1002818988096717154740272 | 10028189880967171547402729229004967713364575788345941030126091100855001436679070167754481781196848548694369807640886609623213441796597559749905935355402985 | 2025-04-16T21:38:17 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -16.69035 | [
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[
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PO_1002897253544223015559141 | 1002897253544223015559141597377520788667186516633010215095858721818887974498280539578656127438374104826833265780258178412069267972118980043772650069700913 | 2025-04-16T16:04:50 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -105.506008 | [
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[
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79,
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] | 32 | 2 | 0 | [
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] | [
"data.184_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1002941928990530941095248 | 10029419289905309410952487965880135554364295526719468209006911951273203649508882686386720480974036041213074161002656817506096532568855454691957829285724814 | 2025-04-16T21:30:02 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -41.511301 | [
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[
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[
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true,
true
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47,
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47,
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47,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"data.458_set.000_7"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003092478202166223949310 | 10030924782021662239493105001224891606968783844156336977897039978746313031961335184615727887770955435834873255418636579557995326170982432342386897995751857 | 2025-04-16T17:44:43 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -48.561549 | [
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[
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[
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[
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... | [
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true
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47,
47,
47,
47,
47,
47,
47,
47,
79
] | 16 | 2 | 0 | [
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0
] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003086183936704145028609 | 10030861839367041450286092771782713482352314900765342234416091035791869569004430779662733669653427584612226549038560724732691164096089174409316556367059635 | 2025-04-16T16:44:56 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -16.186038 | [
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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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47,
47,
47,
47,
47,
47
] | 6 | 1 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003035327923744032520560 | 10030353279237440325205600260991239442942845939939649155184464126646476766066370796137668063056116971467767050977843898996742427165064245238242136740151280 | 2025-04-17T17:35:57 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -33.218248 | [
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[
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[
6.378960132598877,
6.406519889831543,
2.1186699867248535
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[
... | [
true,
true,
true
] | AgAu15 | AgAu15 | A15B | [
"Ag",
"Au"
] | [
0.0625,
0.9375
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_81"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003054448396355855115475 | 10030544483963558551154752044492828027596517301677676968167692572065581699176670306193343822760583494005702550814701778270686408838610658184199572689395795 | 2025-04-16T18:54:58 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -104.893023 | [
[
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[
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[
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... | [
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[
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10.274491191601616
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[
-6.207806348198639,
10.274491191601616,
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] | true | null | null | null | null | null | 5.33282 | 1.885188 | null | CO_7924795727920466964666047 | 7924795727920466964666047664369204813252446069490373362798939550017981513081827250913193979506244981966117265582241369249165104647867470443688990295747467 | 8359021542002967865352936187031353511859200641007858369722521787962706476831785363607594862383125655616259777368612411458288933822220033740512612733435780 | [
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[
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[
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[
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[
2.... | [
true,
true,
true
] | Ag4Au28 | AgAu7 | A7B | [
"Ag",
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0.125,
0.875
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.026_set.000_5"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003058466228711832381615 | 10030584662287118323816154376148980320713479112246287401867261085470507079271144267129943046592537868859103696247079230106306877137238290099343538687235652 | 2025-04-17T18:06:06 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -48.003479 | [
[
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0.7744175340376063,
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[
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[
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[
1.7485926177271562,
2.0132247135253967,
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[
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[
6.7643131001837205,
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15.093708713643393
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] | true | null | null | null | null | null | 7.309521 | 3.586067 | null | CO_4853611237426733406051533 | 4853611237426733406051533929942142768588873912081966867077812477940570018892298526444749331554790299833923730165696550537708128508887926668394188333056017 | 10044418542834629218672060537463185604110412291539764767510871192027067695016009250289383295068217466070316603992438449839046121706070276683727871463035451 | [
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0
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[
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] | [
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[
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[
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... | [
true,
true,
true
] | Ag11Au5 | Ag11Au5 | A11B5 | [
"Ag",
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] | [
0.6875,
0.3125
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"data.450_set.000_0"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003034440431329140233178 | 10030344404313291402331780590418988718151383122516812962261924708110587209052424545034144474820124356784994426499267248957236042955978601832997951815487082 | 2025-04-16T17:39:46 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -72.840955 | [
[
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[
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[
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[
0.124489216798343,
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... | [
[
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[
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[
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] | true | null | null | null | null | null | 5.395328 | 1.35449 | null | CO_1860454845265767341382329 | 1860454845265767341382329300275427851812986661491828944121944938501189292705414022417327764174693070614340513068228511884845500621604340009838298321251834 | 6828474240454242356231824957581854243390799273437515517963016148987755251424375137990635943911017730805937087052286727971692643750917229743512137902507514 | [
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0
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[
0.36765486001968384,
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20.941068649291992
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] | [
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[
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[
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[
0.8941900134086609,
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12.33650016784668
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... | [
true,
true,
true
] | Ag29Au3 | Ag29Au3 | A29B3 | [
"Ag",
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] | [
0.90625,
0.09375
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47,
47,
47,
47,
47,
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47,
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47,
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.575_set.000_11"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003090160596423865379317 | 10030901605964238653793174959070963265342542055917173698031045754147935285859151860930962320920180516062380699840426682250182839672378726831252174406563155 | 2025-04-16T18:21:55 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -155.363413 | [
[
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0.6242006207215268,
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[
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[
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0.8699664932... | [
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25.654907555030128,
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[
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36.69589298559096,
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],
[
-0.006706152984279706,
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17.934756563566296
]
] | true | null | null | null | null | null | 4.0072 | 1.61376 | null | CO_1171896056129425043680486 | 11718960561294250436804863928718201934222462569964418940791643695334031272966519771965965252832485778111362991007524006219610194981065530951060048628151976 | 12878772347620551474750745836066983528961535728313862556847963224164614682810390296867366608372131625473738769730916297808668637675151585220103642515451086 | [
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0
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[
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] | [
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[
10.663100242614746,
1.8785400390625,
14.12279987335205
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[
... | [
true,
true,
true
] | Ag31Au17 | Ag31Au17 | A31B17 | [
"Ag",
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] | [
0.6458333333333334,
0.3541666666666667
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47,
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79,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 48 | 2 | 0 | [
0,
0,
0
] | [
"data.810_set.000_1"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003060493169818120333456 | 10030604931698181203334567117909259965956052757805745414414406507748764289680728980607783811622467823435848853978775574137496383924412692383231570320739083 | 2025-04-16T21:43:25 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -47.811667 | [
[
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[
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[
0.2572688539772619,
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43.55325932356324,
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[
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38.967130722785754,
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[
0.9712525165825795,
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46.43453379221492
]
] | true | null | null | null | null | null | 0.52177 | 0.355353 | null | CO_1236761947743020921284876 | 12367619477430209212848761797746568900522127384613217119574271039490056191276478452150771672247486194135234748220229750711331649781399838452108515816361867 | 1706719134774452558663451631634914373777818658656167770714919505609760375589158072960946451931247415957632931432152670574229567684818239309378281794717479 | [
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[
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[
4.027450084686279,
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[
... | [
true,
true,
true
] | Ag16 | Ag | A | [
"Ag"
] | [
1
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47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_589"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003007117037293542853703 | 10030071170372935428537035817071223338142136316658679511824887786566815152524332514695457532562148007812320376436701739602121334813922929831053182344926118 | 2025-04-17T18:37:27 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -49.987075 | [
[
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[
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[
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[
2.528890314573725,
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] | true | null | null | null | null | null | 2.522217 | 1.343052 | null | CO_5995593934227423974932271 | 599559393422742397493227167922670406990807276395626414518265593668728289734721212337122188829465442165635890233195930907526603799783531366993989161815606 | 2661508962073450983352169407234319392023226474419919852025590264222011757469706639596359392371878623514147407420332757955680894989942060507597741929448980 | [
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0
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[
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] | [
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[
4.374489784240723,
1.7053899765014648,
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[
... | [
true,
true,
true
] | Au16 | Au | A | [
"Au"
] | [
1
] | [
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 16 | 1 | 0 | [
0,
0,
0
] | [
"data.033_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003169829500286303191049 | 10031698295002863031910490917347548753110270041482227204179500100872378123415947553367911507565847637508228377914416463037521171460961777499688821144973077 | 2025-04-16T15:23:14 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -121.620748 | [
[
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[
0.387598617387857,
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0.51090677752382... | [
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[
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]
] | true | null | null | null | null | null | 1.477084 | 0.639337 | null | CO_6459461680496672441883790 | 6459461680496672441883790793520288725404506087697842485328097694007048367023411534019626326599564966722207647364575725464456809502290896274102653566063336 | 2154065404240717545327239502114684871522733777373833928789256505447821603284633623479163848597079062682960251779403111287996583173846814626866468066867032 | [
[
8.474508285522461,
0,
0
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[
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8.104233741760254,
0
],
[
0.07891511172056198,
0.20335139334201813,
8.241497039794922
]
] | [
[
8.434100151062012,
6.0564799308776855,
1.946660041809082
],
[
4.193880081176758,
6.133389949798584,
6.252699851989746
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[
4.231579780578613,
4.181449890136719,
4.011000156402588
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[
0.012740000151097775,
8.10509967803955,
4.018799781799316
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[
... | [
true,
true,
true
] | Ag2Au30 | AgAu15 | A15B | [
"Ag",
"Au"
] | [
0.0625,
0.9375
] | [
47,
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
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79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.008_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003122481821216937039256 | 10031224818212169370392568856033184312087257347567910870170315509064548244376293582473361534637822835739211239687162620265820841267350084496852317425448896 | 2025-04-16T15:14:02 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -51.265365 | [
[
0.007477121066343434,
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0.03538058225410326
],
[
0.007334320825083588,
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0.025546042745190886
],
[
-0.010421778357613695,
0.006016382837621901,
-0.032212902673789345
],
[
0.006374475120138245,
-0.0036786807546062656,... | [
[
-23.420974891547942,
0.03216421227495761,
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[
0.03216421227495761,
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0.016885347461939672
],
[
-0.029251545920985396,
0.016885347461939672,
-22.453687717563533
]
] | true | null | null | null | null | null | 0.047079 | 0.030292 | null | CO_5516206778931193295821671 | 5516206778931193295821671248556188256801466132634756458853097238784477986036837226621704063101369934236942291186687111978202623042819513356960180110660088 | 12464102412292844554358647349104433918398828043865270713112383002058725282720341100236265257811205265899968423728858391173406366731603918147120248773967344 | [
[
6.118453025817871,
0,
0
],
[
3.0592265129089355,
5.298736572265625,
0
],
[
0,
0,
9.991392135620117
]
] | [
[
3.059230089187622,
0,
4.995699882507324
],
[
1.5296200513839722,
0.8831200003623962,
2.497849941253662
],
[
1.5296200513839722,
0.8831200003623962,
7.493539810180664
],
[
4.588840007781982,
2.649369955062866,
4.995699882507324
],
[
3.059230089187... | [
true,
true,
true
] | Ag13Au3 | Ag13Au3 | A13B3 | [
"Ag",
"Au"
] | [
0.8125,
0.1875
] | [
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
79,
79,
79
] | 16 | 2 | 0 | [
0,
0,
0
] | [
"deepmd_set.000_100"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003148274932029538529682 | 10031482749320295385296823382935820917898506632873664838316422085801046123838621818227298896186599560475734627470758754190190310528454709921195178166653280 | 2025-04-16T17:27:47 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -101.979197 | [
[
-0.4322429265295368,
-1.0220896398006802,
0.7198820841845586
],
[
-0.2244362792833544,
-0.6152567422643039,
0.6852593562725581
],
[
1.0859424527444288,
-0.23824210232958476,
0.220506109383599
],
[
0.37118888979237674,
-0.45691137535077403,
0.267543136242... | [
[
-39.86675014468598,
-3.3648904083962954,
-0.3495859001719878
],
[
-3.3648904083962954,
-20.672768240729,
-1.0821777565178836
],
[
-0.3495859001719878,
-1.0821777565178836,
-2.149049860975043
]
] | true | null | null | null | null | null | 5.165555 | 1.14877 | null | CO_2975084334581529330543965 | 2975084334581529330543965084930345682270714368006878064603308415802404412267156123512822750848064276575527647509562227920313384152851003156665984361346850 | 12194142881630176493613194345687818818561498879074962683226635975125992687522333273950477343263374215478920256771452835842044680401348694574489449709989931 | [
[
5.970073699951172,
0,
0
],
[
-0.022274404764175415,
9.451355934143066,
0
],
[
0.10804229229688644,
0.1365732103586197,
22.1696834564209
]
] | [
[
3.7948501110076904,
6.957240104675293,
16.230199813842773
],
[
5.654689788818359,
0.5263299942016602,
11.733200073242188
],
[
5.197690010070801,
6.3770599365234375,
13.550200462341309
],
[
0.3341200053691864,
8.252559661865234,
7.120220184326172
],
[... | [
true,
true,
true
] | AgAu31 | AgAu31 | A31B | [
"Ag",
"Au"
] | [
0.03125,
0.96875
] | [
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 32 | 2 | 0 | [
0,
0,
0
] | [
"data.581_set.000_2"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
PO_1003112500610387847658126 | 10031125006103878476581268679277577043417188843955891895677088289357581999211407102345609403107503721886497154916529685679360850695878112855490895388593066 | 2025-04-16T21:13:01 | DS_t0ec1irmeo59_0 | 1 | VASP | DFT-PBE-D3 | -78.545048 | [
[
0.40287984450123393,
1.1807965884778053,
-0.9378560451247308
],
[
-0.010149948351165006,
-1.3283284412388239,
1.7820382607795038
],
[
0.3885917098811352,
-0.7721790140784681,
-0.28709191772391823
],
[
-1.572759204628362,
1.9315602308181377,
2.25827668761... | [
[
3.7444239966504416,
-2.496244675263051,
5.233101120013286
],
[
-2.496244675263051,
14.73452156006161,
10.125059601943617
],
[
5.233101120013286,
10.125059601943617,
12.968557471928616
]
] | true | null | null | null | null | null | 4.156289 | 1.857184 | null | CO_2275017279607254420973547 | 2275017279607254420973547513968562195318473782524968838475451507615655454502601045724151340767138940223094889878854985584350211711511119270535592364517060 | 10712015783038651233743718591591403559848960850113262398166753491678854674692525433094237490146927368915687002371557526550008869816225724306929407188966030 | [
[
8.537184715270996,
0,
0
],
[
-0.0913616195321083,
4.304130554199219,
0
],
[
-0.13106119632720947,
0.2113581895828247,
15.759693145751953
]
] | [
[
2.6966800689697266,
2.8124101161956787,
0.47343000769615173
],
[
7.397089958190918,
0.532039999961853,
1.7121399641036987
],
[
2.904819965362549,
3.5571999549865723,
8.73384952545166
],
[
8.131270408630371,
4.019889831542969,
7.907350063323975
],
[
... | [
true,
true,
true
] | AgAu23 | AgAu23 | A23B | [
"Ag",
"Au"
] | [
0.041666666666666664,
0.9583333333333334
] | [
47,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79,
79
] | 24 | 2 | 0 | [
0,
0,
0
] | [
"data.643_set.000_6"
] | null | data/MD/4240/MD_9985399391223336507104240.json | null | null | null | {"input": {"encut": {"value": 650, "units": "eV"}}, "hash": "9985399391223336507104240349147387433243557514633906439105331955381975213318101075814762881954519768656981458682509405813528289710302917162391265942695039", "id": "MD_9985399391223336507104240"} |
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