O diamond Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 4.116307541728021 Optimization terminated successfully. Current function value: -3.963485 Iterations: 73 Function evaluations: 191 C11 = 452.179226 +/- 0.007336 GPa C12 = 120.450102 +/- 0.005187 GPa C44 = 128.282471 +/- 0.001834 GPa B = 231.026477 +/- 0.004235 GPa