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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| null | [
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| null | null | null | -487.891148 | null | 2.861194 | 6.512391 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T15:16:28 | 1869218791026288176802344220977430342737742233599738620981255731496766308018326410253546742251232940888300314450383028117464326462935891515715493467381767 | PO_1869218791026288176802344 | null | null | null | [
"BR_training__1161",
"BB_validation__3873",
"CA-9_training__14710"
]
| [
"DS_fw7m5d8b0fa9_0",
"DS_9cdtww9pcjqd_0",
"DS_8zft35i5sbgd_0"
]
| 2023-12-01T23:56:38 | 12584312221782205566626671018717912111241810121707407250023993753523301005669217056999775891650146098408796480433003594056780630699431215325483991261909434 | CO_1258431222178220556662667 | CA-9_BB_validation | [
"Daniel Hedman",
"Tom Rothe",
"Gustav Johansson",
"Fredrik Sandin",
"J. Andreas Larsson",
"Yoshiyuki Miyamoto"
]
| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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 | 4,003 | 4,003 | 233,034 | 0 | 4,003 | 0 | 4,003 | 0 | 4,003 | -501.735936 | 10,202.734006 | 0 | 2023-12-01T18:52:50 | [
[
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} | 10.60732/95c19122 | 9987403613029629768726893456954031024119887046898145763926846230248531061270033011778359623539974970922272163569034827090035859539661759104921473348571593 | DS_8zft35i5sbgd_0 | CA-9_BB_validation__Hedman-Rothe-Johansson-Sandin-Larsson-Miyamoto__DS_8zft35i5sbgd_0 |
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