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0.25
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46
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0.5
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29,
29,
46,
46
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29,
29
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29,
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0.6
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29,
46,
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46
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0.5
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29,
46
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-0.00004,
-0.00004
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] | [
[
-0.00458775886788923,
-6.241509125883259e-8,
6.241509125883259e-8
],
[
-6.241509125883259e-8,
-0.005248422608863973,
6.241509125883259e-8
],
[
6.241509125883259e-8,
6.241509125883259e-8,
-0.005248422608863973
]
] | true | null | null | null | null | null | 1.205681 | 0.89448 | null | CO_3737745182173003885092899 | 3737745182173003885092899075212729707311076394977438453088296316419598859216631946126256656412819184181901177986037756922470504347369567323706391634994168 | 12071774196976593385700601670710529125464245873870821695733239433855381058343483093587031607721147885308173170612832146476352864254139598905222588417801531 | [
[
0,
0,
3.01139
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[
0,
3.01139,
0
],
[
-6.02117,
0,
0
]
] | [
[
-0.01039,
0,
0
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[
-1.4949,
1.5057,
1.5057
],
[
-2.98501,
0,
0
],
[
-4.54145,
1.5057,
1.5057
]
] | [
true,
true,
true
] | Cu2Pd2 | CuPd | AB | [
"Cu",
"Pd"
] | [
0.5,
0.5
] | [
29,
29,
46,
46
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_350"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4417094955292809688370612 | 4417094955292809688370612640234866751704280480711165894522263629657199340503221030886609786830472601420628813577745324887905709208503758748653118765813698 | 2025-04-16T15:23:03 | DS_0ry6z1j8mi8c_0 | 1 | VASP | DFT | -16.632079 | [
[
-0.000014,
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0.000016
],
[
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0.000026
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[
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0.000003
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[
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[
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[
0,
-1.2483018251766518e-7,
-0.005900909972883808
]
] | true | null | null | null | null | null | 0.000076 | 0.000049 | null | CO_8678294228557563457566149 | 8678294228557563457566149964931808003332488438129193174712716052420083410692111749235814102227681282697416711999943275891502235664460293884367619451318526 | 1832944966946427138647988324970750102888285118503615602667807650280830895064937201068586990137105570635844348684513843110156213908158708159573057522436742 | [
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[
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[
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0
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[
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[
0,
2.93973,
0
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[
1.46986,
4.40959,
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]
] | [
true,
true,
true
] | Cu3Pd | Cu3Pd | A3B | [
"Cu",
"Pd"
] | [
0.75,
0.25
] | [
29,
29,
29,
46
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_54"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4419891497629366966820135 | 4419891497629366966820135357623161757686386637780350087463471081852133229450180871788807997162098269711172085917839833902419802201950024570081274018458006 | 2025-04-16T18:21:33 | DS_0ry6z1j8mi8c_0 | 1 | VASP | DFT | -16.45902 | [
[
-0.000007,
0.000002,
0.620542
],
[
0,
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-0.000509
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[
0.000005,
0.000006,
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[
0.000002,
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0.000549
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0
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[
0,
-0.00947005455142889,
0
],
[
0,
0,
-0.0021505119693230766
]
] | true | null | null | null | null | null | 0.620582 | 0.310546 | null | CO_1980326182236884481729921 | 1980326182236884481729921344907273874873419522265167816744005163628106622183272923462715903630085183032111997334022693030545308015091398043137365666587938 | 8226394035864793920087588717778119839631864392030878576127146112866452494088681291358715116811847481442046587591149629890275269102069389644680256210534756 | [
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[
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0
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[
0,
0,
8.55801
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] | [
[
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0.00521
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[
1.31044,
0.75658,
2.13951
],
[
0,
1.51316,
4.2738
],
[
1.31044,
0.75658,
6.41851
]
] | [
true,
true,
true
] | Cu3Pd | Cu3Pd | A3B | [
"Cu",
"Pd"
] | [
0.75,
0.25
] | [
29,
29,
29,
46
] | 4 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_242"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4806997309458691268911642 | 4806997309458691268911642156677443686119788506423722478611757504539653312311369466596389186469544467710412719170266838157931707971505859822715961097739881 | 2025-04-16T17:45:01 | DS_0ry6z1j8mi8c_0 | 1 | VASP | DFT | -12.867048 | [
[
0.000001,
-0.002433,
0.44179
],
[
0.000001,
0.002381,
-0.441524
],
[
-0.000001,
0.000052,
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] | [
[
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0,
0
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[
0,
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0.00032942685166411837
],
[
0,
0.00032942685166411837,
0.00391785769340818
]
] | true | null | null | null | null | null | 0.441797 | 0.294533 | null | CO_6622412389445476144558248 | 6622412389445476144558248080950729778118672210666112615506495692656159894080422838220926578912741884251626047098306904532819134032291735171179294330409065 | 12752403070460114208303369508953219081638678397073418345059072596330656853461871146002860568067160270927668081242352622047010922258234761492118281911367735 | [
[
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0.006731
],
[
-1.87048,
1.87272,
0.006731
],
[
0,
1.86605,
5.59812
]
] | [
[
0,
3.74539,
0.02753
],
[
0,
1.87055,
1.85645
],
[
0,
3.74099,
3.74106
]
] | [
true,
true,
true
] | Cu2Pd | Cu2Pd | A2B | [
"Cu",
"Pd"
] | [
0.6666666666666666,
0.3333333333333333
] | [
29,
29,
46
] | 3 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_286"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4830015534263184589929059 | 483001553426318458992905985872262664340700881061756310142351878951380520481276486456270110637283737810616218931757130085263775706252055487309968688804567 | 2025-04-16T21:43:25 | DS_0ry6z1j8mi8c_0 | 1 | VASP | DFT | -24.555557 | [
[
0,
0.000046,
-0.000007
],
[
0.021891,
-0.02239,
-0.023596
],
[
0.015832,
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-0.016782
],
[
-0.015887,
0.013518,
0.01682
],
[
-0.021837,
0.022351,
0.023565
]
] | [
[
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],
[
-0.0010403347411022214,
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0.0009742995745503765
],
[
-0.0008581450897176892,
0.0009742995745503765,
0.0011782096776929826
]
] | true | null | null | null | null | null | 0.039208 | 0.026386 | null | CO_5180891042207350932539635 | 5180891042207350932539635176275999831202702635385759674778904218161974079314458857744370494746633839372842280652513874514298491870969307302301160376854310 | 4601208497351601984189191871051596575854333065113194982877698647298134990549960050317397535723821426874045288454938721103062352018160838904749414387445222 | [
[
-0.001459,
3.09383,
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],
[
-3.09633,
-3.09219,
0.001059
],
[
-4.63524,
1.54503,
1.54509
]
] | [
[
-4.6367,
4.63885,
-1.54767
],
[
-4.60871,
1.51527,
-1.57799
],
[
-1.52541,
1.5251,
-1.56823
],
[
-6.20761,
0.02156,
0.02161
],
[
-3.12432,
0.0314,
0.03137
]
] | [
true,
true,
true
] | CuPd4 | CuPd4 | A4B | [
"Cu",
"Pd"
] | [
0.2,
0.8
] | [
29,
46,
46,
46,
46
] | 5 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_398"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
PO_4887106998806117819517123 | 4887106998806117819517123566312870132745059904364154207192919892596934569417613528813914130672613223541019566879294320143661017751494629535486121395802095 | 2025-04-16T16:26:36 | DS_0ry6z1j8mi8c_0 | 1 | VASP | DFT | -29.658184 | [
[
0.000099,
-0.000099,
0.000099
],
[
0.241884,
-0.241884,
0.241888
],
[
0.015832,
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0.015832
],
[
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0.000081,
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],
[
-0.015872,
0.015872,
-0.015872
],
[
-0.241862,
0.241861,
-0.241865
]
] | [
[
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0.00036756247242326505,
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[
0.00036756247242326505,
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0.00036756247242326505
],
[
-0.00036750005733200626,
0.00036756247242326505,
-0.004946146321897447
]
] | true | null | null | null | null | null | 0.418958 | 0.14885 | null | CO_6329098381915368549011750 | 6329098381915368549011750087974604548368787980255476045198852433403938138606789224075467179708905714042650083632858224777259012748153072486931105422983969 | 6472401236118752500709440797774255199549737901543305081968016743073033216437799573418190982129217221014103827054355112462329209982705516721361304157265043 | [
[
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0,
3.09286
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[
-3.09286,
3.09286,
-3.09286
],
[
0,
-3.09286,
-3.09286
]
] | [
[
0,
0,
0
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[
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[
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[
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[
-3.09286,
0,
-3.09286
],
[
-4.63929,
1.54643,
-1.54643
]
] | [
true,
true,
true
] | CuPd5 | CuPd5 | A5B | [
"Cu",
"Pd"
] | [
0.16666666666666666,
0.8333333333333334
] | [
29,
46,
46,
46,
46,
46
] | 6 | 2 | 3 | [
1,
1,
1
] | [
"CuPd_CMS2019_21"
] | null | data/MD/5202/MD_1086845055867124744315202.json | null | null | null | {"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"} |
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