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DS_b1n228x610dj_0
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DS_b1n228x610dj_0
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DS_b1n228x610dj_0
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DS_b1n228x610dj_0
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[
"C",
"H",
"N",
"O"
] |
[
0.2,
0.5,
0.1,
0.2
] |
[
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
6,
6,
6,
6,
7,
7,
8,
8,
8,
8
] | 20
| 4
| 3
|
[
1,
1,
1
] |
[
"glycine_train_FPS_QE_PBE_TS",
"glycine_train_FPS_AIMS_PBE0_MBD"
] | null |
data/MD/3358/MD_1253836397924609709183358.json
| null | null | null |
{"input": {"encut": "100 Ry", "kpoints": "4x2x4"}, "hash": "12538363979246097091833586420118042097224103726702180638478811883449722987643502399199118112955370205601235303336684897758604517956020966757613017737907519", "id": "MD_1253836397924609709183358"}
|
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