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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
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-1.29881287425342e-15,
-3.90352038398761e-18
],
[
2.9866473393401846e-18,
-3.90349659187111e-18,
-1.4655179539743556e-15
]
]
| null | null | null | -389.310989 | null | 3.472518 | 7.906111 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:13:18 | 4922232132616246591074273785002651835583549013222313857817202234581840795411340763709160751336292471600407682486894588897368343359032546061697306376074145 | PO_4922232132616246591074273 | null | null | null | [
"BR_validation__678",
"BB_training__11387",
"CA-9_validation__7743"
]
| [
"DS_07zjrtacjg3z_0",
"DS_fgakfcwhn9zc_0",
"DS_l7inbtql4ea9_0"
]
| 2023-12-01T23:58:31 | 10600683587913305214578234541221886000442158316619392425462311043862357876035823753731621127602936678377469843188980306090900157317726356001640881979769821 | CO_1060068358791330521457823 | CA-9_validation | [
"Daniel Hedman",
"Tom Rothe",
"Gustav Johansson",
"Fredrik Sandin",
"J. Andreas Larsson",
"Yoshiyuki Miyamoto"
]
| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
"C"
]
| 1 | 8,000 | 8,000 | 436,601 | 0 | 8,000 | 0 | 8,000 | 0 | 8,000 | -468.657968 | 12,980.365193 | 0 | 2023-12-01T18:59:39 | [
[
1,
1,
1
]
]
| [
3
]
| 2023 | [
1
]
| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.cartre.2021.100027', 'source-data': 'https://doi.org/10.24435/materialscloud:6h-yj', 'other': None} | 10.60732/5cebd981 | 6786253847045172955885803569588349709236592764831810371069539168969962232135226404189095846670960274765158990683864153553298533309101480717530898583437890 | DS_07zjrtacjg3z_0 | CA-9_validation__Hedman-Rothe-Johansson-Sandin-Larsson-Miyamoto__DS_07zjrtacjg3z_0 |
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