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Research data for "A machine-learned interatomic potential for silica and its relation to empirical models"

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https://zenodo.org/record/6353683
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This dataset supports the paper "A machine-learned interatomic potential for silica and its relation to empirical models". The paper is online here: The following files are provided: xyz-file containing all structures in the training database including forces and energies GAP file containing the corresponding parameters, which can be used for example for Lammps MD simulations Amorphous structure files for silica created by different interatomic potentials.
创建时间:
2022-04-15
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