Data for: Ab initio machine-learning unveils strong anharmonicity in non-Arrh...

The dataset contains key files to reproduce the results presented in the article " Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of...本数据集包含可复现论文《从头算（ab initio）机器学习揭示了...的非阿伦尼乌斯自扩散中的强非简谐性》中所呈现结果的关键文件。