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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/9891/MD_6916993935845281289119891.json
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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DS_qxd7wv9yabtp_0
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DS_qxd7wv9yabtp_0
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|
DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
|
DFT-PBE-GGA
| -327.873301
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CO_3586656283928933466207382
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Si63
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Si
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A
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[
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[
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
|
data/MD/2754/MD_1171890916464864065142754.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_5026188886226039260208272
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| 2025-04-16T21:28:46
|
DS_qxd7wv9yabtp_0
| 1
|
VASP 5.4.4
|
DFT-PBE-GGA
| -328.286777
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/8100/MD_9238408207277448086258100.json
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PO_5174396888705009543154068
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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Si63
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A
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
|
data/MD/4140/MD_7244332603170260978844140.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_5182317838189858891319135
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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PO_1087591206007809446759801
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| 2025-04-16T18:05:35
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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Si
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A
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/5942/MD_2080555615855470115325942.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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| 2025-04-16T16:26:45
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DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
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DFT-PBE-GGA
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PO_5449433466443385201304712
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| 2025-04-16T20:47:06
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DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
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DFT-PBE-GGA
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data/MD/8438/MD_7265063093032553053618438.json
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DS_qxd7wv9yabtp_0
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data/MD/5202/MD_1086845055867124744315202.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_5879509975347995350007484
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| 2025-04-16T20:45:40
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DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
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DFT-PBE-GGA
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Si63
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Si
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A
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[
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
|
data/MD/9678/MD_1142177904479948786629678.json
| null |
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_1135814774167649027371435
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| 2025-04-16T17:58:24
|
DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
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DFT-PBE-GGA
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| 2025-04-16T16:10:44
|
DS_qxd7wv9yabtp_0
| 1
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VASP 5.4.4
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DFT-PBE-GGA
| -327.658262
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Si63
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Si
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A
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[
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[
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/1992/MD_1026256113872656263101992.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_5987130531376187600883821
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| 2025-04-16T15:40:09
|
DS_qxd7wv9yabtp_0
| 1
|
VASP 5.4.4
|
DFT-PBE-GGA
| -328.297331
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data/MD/8438/MD_7265063093032553053618438.json
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DS_qxd7wv9yabtp_0
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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data/MD/8438/MD_7265063093032553053618438.json
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PO_1195674453612454901891985
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DS_qxd7wv9yabtp_0
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DS_qxd7wv9yabtp_0
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PO_6542640973870549905470130
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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A
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data/MD/8438/MD_7265063093032553053618438.json
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/1227/MD_6019982487016941945041227.json
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DS_qxd7wv9yabtp_0
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/1523/MD_1336856084770110274911523.json
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PO_6835805052745849147543236
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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DS_qxd7wv9yabtp_0
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DS_qxd7wv9yabtp_0
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/4712/MD_1087108833337169918274712.json
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{"input": {"encut": {"value": 520, "units": "eV"}, "kpoints": {"value": "4x4x4"}}, "hash": "7265063093032553053618438633036777591561784969778059530955221946594962831800721236969654467724129603362940356759926806053923044289090817342045976626169239", "id": "MD_7265063093032553053618438"}
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PO_6972288328272373000442993
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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"Vacancy-enhanced_Training_Set_168",
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/1672/MD_1336457995971944890721672.json
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[
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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DS_qxd7wv9yabtp_0
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[] |
data/MD/8438/MD_7265063093032553053618438.json
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data/MD/5640/MD_1236982354395883836675640.json
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PO_1256095061115859330400536
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DS_qxd7wv9yabtp_0
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VASP 5.4.4
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DFT-PBE-GGA
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data/MD/8438/MD_7265063093032553053618438.json
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DS_qxd7wv9yabtp_0
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