N diamond Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 4.167405217140913 C11 = 1017.931786 +/- 0.007336 GPa C12 = 17.164241 +/- 0.005187 GPa C44 = 451.386320 +/- 0.001834 GPa B = 350.753423 +/- 0.004235 GPa