O fcc Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 2.956444382667542 C11 = 1391.047496 +/- 0.007336 GPa C12 = 1746.026125 +/- 0.005187 GPa C44 = 134.131206 +/- 0.001834 GPa B = 1627.699916 +/- 0.004235 GPa