Neural Network Potentials for H2PO4 and HPO4, as well as the training sets used to train them.
收藏Mendeley Data2024-06-27 更新2024-06-27 收录
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https://zenodo.org/records/11120695
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Neural Network Potentials for H2PO4 and HPO4, as well as the training sets used to train them. The energies are in eV, the forces in eV/angstrom, the xyz coordinates in angstrom, and the box size in angstrom.
创建时间：
2024-05-10
