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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: mit
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: CHON JCP 2020
----
-# Dataset  
-CHON JCP 2020  
-### Description  
-This dataset of molecular structures was extracted, using the NOMAD API, from all available structures in the NOMAD Archive that only include C, H, O, and N. This dataset consists of 50.42% H, 30.41% C, 10.36% N, and 8.81% O and includes 96 804 atomic environments in 5217 structures.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Berk Onat, Christoph Ortner, James R. Kermode  
-### Publication  
-https://doi.org/10.1063/5.0016005  
-### Original data link 
-https://github.com/DescriptorZoo/sensitivity-dimensionality-results/tree/master/datasets  
-### License  
-MIT  
-### Number of unique molecular configurations  
-5216  
-### Number of atoms  
-96736  
-### Elements included  
-C, H, N, O  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Onat, B., Ortner, C., and Kermode, J. R. _CHON JCP 2020_. ColabFit, 2023. https://doi.org/10.60732/c5e37779