../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner ../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner Mo bcc Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001 3.082927376031875e-10 1.039574370123953e-18