Si bcc Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 3.221412718296051 Optimization terminated successfully. Current function value: -8.595183 Iterations: 67 Function evaluations: 171 C11 = 11983.099481 +/- 0.007336 GPa C12 = 11940.657387 +/- 0.005187 GPa C44 = 60.472729 +/- 0.001834 GPa B = 11954.804752 +/- 0.004235 GPa