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DS_8zft35i5sbgd_0
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VASP
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data/MD/4357/MD_1024398629573454165794357.json
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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C50
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DS_8zft35i5sbgd_0
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C63
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DS_8zft35i5sbgd_0
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C50
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C
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A
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| 2025-04-16T15:44:54
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DS_8zft35i5sbgd_0
| 1
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VASP
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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C71
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DS_8zft35i5sbgd_0
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C59
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DS_8zft35i5sbgd_0
| 1
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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| 2025-04-17T18:16:17
|
DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -372.066582
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| 3.472858
| null |
CO_1266480141767312132409792
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C50
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C
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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"}
|
PO_4978620473410528964848948
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| 2025-04-16T18:47:35
|
DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -510.210378
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CO_1036917609574611918518537
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -454.426639
|
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true,
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C50
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C
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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_1008156459398301972302787
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| 2025-04-16T18:02:06
|
DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -508.101344
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CO_9489594109920980278781156
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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C50
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A
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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C56
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C
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A
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DS_8zft35i5sbgd_0
| 1
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VASP
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DFT-PBE
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| 2025-04-17T18:37:27
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DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -522.797547
|
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| 3.059993
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CO_4847685627839833845973204
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true,
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C60
|
C
|
A
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[
"C"
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_1010463865428430591337873
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| 2025-04-16T21:21:36
|
DS_8zft35i5sbgd_0
| 1
|
VASP
|
DFT-PBE
| -454.316717
|
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DS_8zft35i5sbgd_0
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VASP
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C50
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A
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| 2025-04-16T21:44:51
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DS_8zft35i5sbgd_0
| 1
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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VASP
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DFT-PBE
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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DS_8zft35i5sbgd_0
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VASP
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