fwy52/gamma-ga2o3_nep: Data Release for gamma-Ga2O3

Dataset Description This repository contains all data and resources associated with our study on the thermal transport properties of γ-Ga₂O₃. The dataset includes first-principles molecular dynamics trajectories, structure sets with distinct cation occupation configurations, and the machine-learning interatomic potentials (NEP) developed specifically for modeling the thermally disordered γ phase. In addition, the repository provides input scripts and output files for lattice thermal conductivity calculations, phonon spectral analyses, and supporting post-processing tools. Together, these data enable full reproducibility of our results and serve as a foundation for further studies involving disordered polymorphs of Ga₂O₃ or related oxide systems.