../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner ../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Al fcc Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000 4.0415970236063e-10 5.398996755915749e-19