H diamond Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 3.72083654999733 Optimization terminated successfully. Current function value: -0.982621 Iterations: 73 Function evaluations: 190 C11 = -8627063.678389 +/- 0.007336 GPa C12 = 13.071295 +/- 0.005187 GPa C44 = -3235185.418880 +/- 0.001834 GPa B = -2875679.178600 +/- 0.004235 GPa