Dataset: Toward machine learning interatomic potentials for modeling uranium mononitride

This dataset was used to train a HIP-NN model for uranium mononitride. It contains the following keywords: 'cell'-box size, 'coordinates'-positions, 'energy'-total energy per system, 'force'-atomic forces per direction, 'species'-labels for element.To use the dataset for training, follow the Al example training available at: https://github.com/lanl/hippynn/blob/development/examples/ani_aluminum_example.py. The trained model can be used in LAMMPS by following the examples found in: https://github.com/lanl/hippynn/tree/development/examples/lammps.LA-UR-25-25691