Datasets of DFT/PBE structures used by neural network atomistic potentials for Pyrophyllite smectite Clay
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https://zenodo.org/record/14608335
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资源简介：
Datasets DFT/PBE structures to be used for n2p2 atomistic potentials, files to be used directly with LAMMPS also provided.
创建时间：
2025-01-07
