O bcc Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 5.147556811571121 Optimization terminated successfully. Current function value: -0.248695 Iterations: 76 Function evaluations: 199 C11 = 0.273963 +/- 0.007336 GPa C12 = 0.315396 +/- 0.005187 GPa C44 = 0.315400 +/- 0.001834 GPa B = 0.301585 +/- 0.004235 GPa