Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
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This dataset contains a vertical slice of the data used to generate the results found in the publication "Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials"<br> It contains nested sampling input files and trajectory files for each potential studied, as well as the xml files and training data for the new potential, GAP-20U+gr.
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Zenodo创建时间：
2022-12-20
