O sc Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 4.45859469473362 C11 = 0.499612 +/- 0.007336 GPa C12 = -0.041658 +/- 0.005187 GPa C44 = -0.041657 +/- 0.001834 GPa B = 0.138766 +/- 0.004235 GPa