This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- complete_data_GAP_GeTe.tar.gz: train_GeTe.xyz contains density functional theory energies and forces for a number of different atomic configurations of GeTe. GAP.xml* are the potential files used by LAMMPS to perform molecular dynamics simulations. train.sh is the bash script used to train GAP potential.