../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_cP20_221_gj a x1 y2 standard 1 5.215 0.26228631 0.15146094 Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000