Jesper Byggmästar,
Kai Nordlund,
Flyura Djurabekova,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
This dataset was designed to enable machine-learning of Ta elastic, thermal, and defect properties, as well as surface energetics, melting, and the structure of the liquid phase. The dataset was constructed by starting with the dataset from J. Byggmästar et al., Phys. Rev. B 100, 144105 (2019), then rescaling all of the configurations to the correct lattice spacing and adding in gamma surface configurations.