.zip file of GAP models, geometries of lowest energy structure

Name: .zip file of GAP models, geometries of lowest energy structure
Published: 2025-05-16T12:05:18+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Gaussian approximation potentials (GAP)

dataset

posted on 2025-05-16, 12:05 authored by Amit Kumar, Balasaheb Nagare, Raman Sharma

The geometries (in xyz format) of the lowest energy and a few low lying structures obtained with the GAP model and VASP are provided. The GAP models are also provided.

.zip file of GAP models, geometries of lowest energy structure

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