Si diamond Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000 5.429000049829484 Optimization terminated successfully. Current function value: -37.039994 Iterations: 87 Function evaluations: 237 C11 = 166.372178 +/- 0.007336 GPa C12 = 65.303772 +/- 0.005187 GPa C44 = 77.094507 +/- 0.001834 GPa B = 98.993241 +/- 0.004235 GPa