Published March 14, 2022 | Version v1
Dataset Open

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

Creators

  • 1. TU Darmstadt
  • 2. University of Oxford

Description

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.

Files

sio2_potential_data.zip

Files (157.4 MB)

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md5:6a16de69b5e17fd18160d9b55972a3e1
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