../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 O 15.9994 diamond 3.830751210451126e-10 0.5 1.5 30 23 8 20