GaAs training data visualization
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Dataset:6724628
DOI10.5281/zenodo.10566825Zenodo10566825MaRDI QIDQ6724628FDOQ6724628
Dataset published at Zenodo repository.
Michele Ceriotti, Giulio Imbalzano
Publication date: 25 January 2024
Copyright license: Creative Commons Attribution 4.0 International
A collection of Ga(x)As(1-x) structures to train a MLIP, including force and energy data. The structures are stored in extended xyz format, and have been converted to have structural data expressed in Å, energies in eV, and forces in eV/Å. The data also contains a gzipped json file that can be visualized using http://chemiscope.org
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