GaAs training data visualization
收藏Mendeley Data2024-05-10 更新2024-06-27 收录
下载链接：
https://zenodo.org/records/10566825
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资源简介：
A collection of Ga(x)As(1-x) structures to train a MLIP, including force and energy data. The structures are stored in extended xyz format, and have been converted to have structural data expressed in Å, energies in eV, and forces in eV/Å. The data also contains a gzipped json file that can be visualized using http://chemiscope.org
创建时间：
2024-01-27
