../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al Ti AB_tP2_123_a_d a c/a standard 2 2.8557 1.4735792 3.1966 1.0295314 Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000