Published June 21, 2021
| Version v2
Dataset
Open
DFTB study of silica glass under pressure (figures/samples trajectories)
Creators
- 1. Univ. Simón Bolívar,Caracas, Venezuela
- 2. CNRS/Univ. Montpellier, France
Description
This deposit contains:
1) Configurations (XYZ format) for selected densities/pressures (~100 configurations) extracted from the corresponding DFTB trajectories.
(see configs-2-deposit.zip). The file readme-configs-2-deposit.txt gives details on configuration file and corresponding box size, pressure and density.
2) xmgrace source files of the manuscript's figures (file figures.zip). Each .agr file contains the XY data of the plotted quantities.