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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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PO_3406363235231220181651102
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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| 2025-04-16T17:09:42
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DS_q4h7q8q0fnve_0
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data/MD/8121/MD_1213582242930949697188121.json
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data/MD/9306/MD_1303153961966051304389306.json
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PO_3411313445277525221155908
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| 2025-04-16T18:43:44
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DS_q4h7q8q0fnve_0
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data/MD/0665/MD_8328333280534599668480665.json
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PO_3413121079938315954397248
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| 2025-04-16T18:47:30
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DS_q4h7q8q0fnve_0
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VASP
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DFT-PBE
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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PO_3426676976883604769266989
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DS_q4h7q8q0fnve_0
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VASP
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PO_3426725749618683319902872
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DS_q4h7q8q0fnve_0
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DS_q4h7q8q0fnve_0
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[
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]
] |
[
true,
true,
true
] |
Ag33
|
Ag
|
A
|
[
"Ag"
] |
[
1
] |
[
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47,
47
] | 33
| 1
| 0
|
[
0,
0,
0
] |
[
"Ag_iter_all_Ag_iter2_1_mp-124_interstitials_FCC2_crowdion_315_12"
] | null |
data/MD/8121/MD_1213582242930949697188121.json
|
data/MD/0032/MD_1901264063649552057980032.json
| null |
{"materials-project-id": "mp-124", "temperature": 315, "hash": "1901264063649552057980032765360091244306129156863244765520539936315517545718139405924156609694941144556195633664429638527201258218040275372883302651202181", "id": "MD_1901264063649552057980032"}
|
{"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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