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DS_mevqyitwxukc_0
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data/MD/7291/MD_7349827818344528366337291.json
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DS_mevqyitwxukc_0
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VASP
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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PO_3531812137128853426628490
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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Mg16
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Mg
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DS_mevqyitwxukc_0
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Mg16
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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Mg16
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A
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DS_mevqyitwxukc_0
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Mg17
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Mg
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A
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DS_mevqyitwxukc_0
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PO_4044105789813209110713727
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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Mg16
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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DS_mevqyitwxukc_0
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[
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[
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] | true
| null | null | null | null | null | 0.451839
| 0.269319
| null |
CO_8683442587682005870774598
|
8683442587682005870774598911294866560683453611696574529371798159541149368520411947941411421222104243105142718819534003014745956566875840967094663080621179
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] |
[
true,
true,
true
] |
Mg23
|
Mg
|
A
|
[
"Mg"
] |
[
1
] |
[
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 23
| 1
| 0
|
[
0,
0,
0
] |
[
"Mg_iter_all_Mg_iter0_950_1_mp-1094122_vacancies_Vac_0_13"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/1241/MD_1133590065711275190571241.json
| null |
{"materials-project-id": "mp-1094122", "temperature": 950, "hash": "11335900657112751905712415134074946468166480362310100541726528762783919458104196862039185175387692349953026113011038800075552039625923046858663124930728242", "id": "MD_1133590065711275190571241"}
|
{"input": {"ALGO": "fast", "EDIFF": "1E-8", "ENCUT": "400", "IBRION": "0", "ICHARG": "0", "ISIF": "2", "ISMEAR": "1", "ISTART": "0", "ISYM": "0", "KBLOCK": "10", "KGAMMA": "F", "KPAR": "16", "KSPACING": "0.24", "LCHARG": "T", "LREAL": "F", "LWAVE": "F", "MAXMIX": "50", "NBLOCK": "1", "NELM": "200", "NELMIN": "4", "NPAR": "8", "POTIM": "2", "PREC": "A", "PSTRESS": "0", "SIGMA": "0.15", "SMASS": "-1", "file-type": "INCAR"}, "hash": "12135822429309496971881212100548754870478961791137930949625877367285087883313386750731592539663054471050405358418449513543996992751906584969573924479043013", "id": "MD_1213582242930949697188121"}
|
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