Si sc Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 2.50075486302 Optimization terminated successfully. Current function value: -4.345084 Iterations: 70 Function evaluations: 189 C11 = 409.506325 +/- 0.007336 GPa C12 = 0.009973 +/- 0.005187 GPa C44 = 58.265327 +/- 0.001834 GPa B = 136.508757 +/- 0.004235 GPa