../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 Fe 55.845 sc 2.452851302921772e-10 0.8 1.5 18 23 8 20