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[
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],
[
3.01881779,
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],
[
-2.52206324,
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],
[
3.01997384,
-2.52713875,
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],
[
-0.87397554,
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1.13262824
],
[
-0.81937888,
-0.72138772,
0.92054226
],
[
-1.01891629,
-3.86083916,
-1.03241489
],
[
-0.39732164,
-1.22299894,
-0.34441053
],
[
-2.68583045,
-0.05570777,
-0.24299144
],
[
-3.36252254,
4.0594687,
1.36344089
]
]
| null | [
[
9.958511328391247e-22,
-6.428022628579417e-23,
7.655619588020385e-31
],
[
-6.426923091853166e-23,
2.754710236622838e-21,
1.3065550918424826e-24
],
[
7.830571650098174e-31,
1.3065996789228685e-24,
2.423704699257252e-23
]
]
| null | null | null | -603.033487 | null | 3.308751 | 8.003481 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:46:47 | 2974975481982160471100837048127474582950160524552924591806670575255396444348781806592862127816599883713072416596793909343129848901959229557881072218780781 | PO_2974975481982160471100837 | null | null | null | [
"BR_training__12890",
"BB_validation__954",
"RR_training__6229",
"CA-9_training__23027"
]
| [
"DS_fw7m5d8b0fa9_0",
"DS_tag5zubl21w8_0",
"DS_9cdtww9pcjqd_0",
"DS_8zft35i5sbgd_0"
]
| 2023-12-01T23:56:36 | 9975494027360800202246923891056008488022741795951226341650602838461732509612143662623319740570701333256958058508775222225248397248873704161240248895123765 | CO_9975494027360800202246923 | 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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