../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al C A4B3_hR7_166_2c_ac a c/a x2 x3 x4 standard 1 3.3544538 7.492051 0.70650219 0.87016163 0.78319433 Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000