../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 N 14.0067 bcc 2.99807049036026e-10 0.5 1.5 30 23 8 20