../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 C 12.0107 bcc 2.159991279244423e-10 0.5 1.5 30 23 8 20