../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 O 15.9994 bcc 5.162896990776062e-10 0.5 1.5 30 23 8 20