Si sc Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000 2.4976401999592777 Optimization terminated successfully. Current function value: -4.322396 Iterations: 70 Function evaluations: 185 C11 = 368.612685 +/- 0.007336 GPa C12 = 16.581069 +/- 0.005187 GPa C44 = 36.272660 +/- 0.001834 GPa B = 133.924941 +/- 0.004235 GPa