<p dir="ltr">This JSON files contains the dataset used to calculate the "softening scales" of universal machine learning interatomic potentials, as described in </p><p dir="ltr">https://arxiv.org/abs/2405.07105</p><p dir="ltr">The dataset is initially created by running 1000K Molecular Dynamics with the pretrained CHGNet on materials randomly sampled in the WBM dataset.</p><p dir="ltr">If you use this dataset, please cite:</p><p dir="ltr">@article{Deng_2024_softening, </p><p dir="ltr">title={Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning}, </p><p dir="ltr">DOI={10.48550/arxiv.2405.07105}, </p><p dir="ltr">journal={arXiv}, </p><p dir="ltr">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}, </p><p dir="ltr">year={2024} </p><p>}</p>