../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 Al 26.981538 diamond 5.689550295472145e-10 0.5 1.5 30 23 8 20