../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 Ti 47.867 fcc 4.12083861976862e-10 0.8 1.5 18 23 8 20