../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_hR10_166_5c a c/a x1 x2 x3 x4 x5 standard 1 2.520284 12.343259 0.02482583 0.10867917 0.15836583 0.37486231 0.42531454 Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000