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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: mit
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: HfO2 NPJ 2020
----
-### Cite this dataset  
-Sivaraman, G., Krishnamoorthy, A. N., Baur, M., Holm, C., Stan, M., Csányi, G., Benmore, C., and Vázquez-Mayagoitia, Á. _HfO2 NPJ 2020_. ColabFit, 2023. https://doi.org/10.60732/dcb4440a
-  ### View on the ColabFit Exchange  
-https://materials.colabfit.org/id/DS_u40eq96ge40x_0  
-# Dataset  Name  
-HfO2 NPJ 2020  
-### Description  
-6000 configurations of liquid and amorphous HfO2 generated for use with an active learning ML model.  
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur, Christian Holm, Marius Stan, Gábor Csányi, Chris Benmore, Álvaro Vázquez-Mayagoitia  
-### Publication  
-https://doi.org/10.1038/s41524-020-00367-7  
-### Original data link 
-https://github.com/argonne-lcf/active-learning-md  
-### License  
-MIT  
-### Number of unique molecular configurations  
-6000  
-### Number of atoms  
-576000  
-### Elements included  
-Hf, O  
-### Properties included  
-energy, atomic forces, cauchy stress