colabfit/NEP_PRB_2021
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/NEP_PRB_2021
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资源简介：
NEP PRB 2021数据集包含了大约7000个独特的二维硅烯、硅和PbTe的分子配置。数据集中使用了来自https://doi.org/10.1103/PhysRevX.8.041048的硅数据。该数据集包含了预测的力、势能和virial值。附加的详细信息存储在以dataset_为前缀的数据集列中。
The NEP PRB 2021 dataset contains approximately 7,000 distinct configurations of 2D-silicene, silicon, and PbTe. Silicon data are used from http://dx.doi.org/10.1103/PhysRevX.8.041048. The dataset includes predicted force, potential energy, and virial values. Additional details are stored in dataset columns prepended with dataset_.
提供机构：
colabfit
