../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 O 15.9994 bcc 4.178285837173462e-10 0.5 1.5 30 23 8 20