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Research Data supporting "Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon"


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Description

This file contains additional data supporting the above-mentioned publication. Coordinate files from molecular dynamics simulations and structural relaxations are provided, alongside original data for local energies, all as discussed in the publication. A detailed description may be found in the README.txt file within the archive.

Version

Software / Usage instructions

The data are provided, as appropriate, either in comma-separated value (CSV) format, to be opened with text editors or other tools, or as structure files (e.g., XYZ format), to be opened with standard atomistic simulation software. A detailed description may be found in the README.txt file within the archive.

Publisher

Rights and licensing

Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
Sponsorship
Isaac Newton Trust (17.08(c))
Leverhulme Trust (ECF-2017-278)