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data/MD/4357/MD_1024398629573454165794357.json
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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PO_4915639607112108791618295
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| 2025-04-16T19:03:50
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DS_fgakfcwhn9zc_0
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VASP
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T18:31:06
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DS_fgakfcwhn9zc_0
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VASP
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DFT-PBE
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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| 2025-04-16T21:43:16
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_fgakfcwhn9zc_0
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VASP
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C59
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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C50
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A
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| 2025-04-16T18:26:42
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DS_fgakfcwhn9zc_0
| 1
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VASP
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DFT-PBE
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C60
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A
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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| 2025-04-16T19:03:17
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DS_fgakfcwhn9zc_0
| 1
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VASP
|
DFT-PBE
| -508.921405
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CO_7099907346756018668214587
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C59
|
C
|
A
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
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PO_1007666307056744492109334
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| 2025-04-16T19:02:16
|
DS_fgakfcwhn9zc_0
| 1
|
VASP
|
DFT-PBE
| -194.372311
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CO_3259174611104367548085743
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C24
|
C
|
A
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1007738824028829139948618
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| 2025-04-16T18:52:57
|
DS_fgakfcwhn9zc_0
| 1
|
VASP
|
DFT-PBE
| -407.566746
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C60
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C59
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C
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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VASP
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C63
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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VASP
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| 2025-04-16T18:38:16
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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VASP
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C54
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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C50
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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C56
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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DS_fgakfcwhn9zc_0
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VASP
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DS_fgakfcwhn9zc_0
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