High-throughput determination of threshold displacement energies in AlGaN alloys

Accompanying data and analysis from molecular dynamics simulations (machine learning interatomic potential and Stillinger–Weber potential) for AlGaN threshold displacement energies. Five compositions of AlGaN are considered (0%, 25%, 50%, 75%, and 100% Al content). LAMMPS input files and structures are included as well as LAMMPS log files and findTDE output files. Potential files are not included (available from references), and dump files are not included due to data size constraints (but may be recreated from the supplied inputs). Data analysis files from findTDE are also included for each set of calculations.