Research data on the transferability of Zr-Zr interatomic potentials

The raw data produced for the study published in: Oliver G. Nicholls , Dillion G. Frost , Vidur Tuli , Jana Smutna , Mark R. Wenman , Patrick A. Burr, "Transferability of Zr-Zr interatomic potentials", Journal of Nuclear Materials (2023), <https://doi.org/10.1016/j.jnucmat.2023.154391> The dataset contains raw input and outputs from LAMMPS simulations used to evaluate and compare the transferability of interatomic Zr potentials. The numbering and names of folders correspond with the relevant sections of the paper. Further details provided in the README.md file本数据集为发表于下述文献的研究项目所生成的原始数据：Oliver G. Nicholls、Dillion G. Frost、Vidur Tuli、Jana Smutna、Mark R. Wenman、Patrick A. Burr 撰写的《Zr-Zr原子间势的可迁移性》，刊载于《Journal of Nuclear Materials》（2023年），DOI链接：https://doi.org/10.1016/j.jnucmat.2023.154391。本数据集包含用于评估与对比Zr原子间势可迁移性的LAMMPS模拟原始输入与输出结果。文件夹的编号与命名与论文的相关章节一一对应。更多详细信息请参阅README.md文件。