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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc-by-4.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: CA-9 validation
----
-# Dataset  
-CA-9 validation  
-### Description  
-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  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Daniel Hedman, Tom Rothe, Gustav Johansson, Fredrik Sandin, J. Andreas Larsson, Yoshiyuki Miyamoto  
-### Publication  
-https://doi.org/10.1016/j.cartre.2021.100027  
-### Original data link 
-https://doi.org/10.24435/materialscloud:6h-yj  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-8000  
-### Number of atoms  
-436601  
-### Elements included  
-C  
-### Properties included  
-energy, atomic forces, cauchy stress