WBM high energy states

This JSON files contains the dataset used to calculate the "softening scales" of universal machine learning interatomic potentials, as described in https://arxiv.org/abs/2405.07105The dataset is initially created by running 1000K Molecular Dynamics with the pretrained CHGNet on materials randomly sampled in the WBM dataset.If you use this dataset, please cite:@article{Deng_2024_softening, title={Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning}, DOI={10.48550/arxiv.2405.07105}, journal={arXiv}, author={Deng, Bowen and Choi, Yunyeong and Zhong, Peichen and Riebesell, Janosh and Anand, Shashwat and Li, Zhuohan and Jun, KyuJung and Persson, Kristin A and Ceder, Gerbrand}, year={2024} }