C diamond Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 3.63133816421032 C11 = 49622.155582 +/- 0.007336 GPa C12 = 49154.826863 +/- 0.005187 GPa C44 = 450.075217 +/- 0.001834 GPa B = 49310.603103 +/- 0.004235 GPa