../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 O 15.9994 diamond 4.528091661632061e-10 0.5 1.5 30 23 8 20