Dataset

CA-9-RR-validation


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Name CA-9-RR-validation
Extended ID CA-9-RR-validation_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_ofo6c2027oyg_0
Description Random-random configurations from CA-9 dataset used during validation step for NNP_RR 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
Authors Daniel Hedman
Tom Rothe
Gustav Johansson
Fredrik Sandin
J. Andreas Larsson
Yoshiyuki Miyamoto
Elements C (100.0%)
Number of Data Objects 4,002
Number of Configurations 4,002
Number of Atoms 218,184
Links https://doi.org/10.24435/materialscloud:6h-yj
https://doi.org/10.1016/j.cartre.2021.100027
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_ofo6c2027oyg_0
Files colabfitspec.json

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