Dataset

CA-9_training



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Name CA-9_training
Extended ID CA-9_training_HedmanRotheJohanssonSandinLarssonMiyamoto__DS_9cdtww9pcjqd_0
Description Configurations from CA-9 dataset used for training 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
Authors Daniel Hedman
Tom Rothe
Gustav Johansson
Fredrik Sandin
J. Andreas Larsson
Yoshiyuki Miyamoto
Elements C (100.0%)
Number of Data Objects 40,000
Number of Configurations 40,000
Number of Atoms 2,195,399
Links https://doi.org/10.1016/j.cartre.2021.100027
https://doi.org/10.24435/materialscloud:6h-yj
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_9cdtww9pcjqd_0
Files colabfitspec.json

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