Si sc Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 2.500754863023758 Optimization terminated successfully. Current function value: -4.345084 Iterations: 84 Function evaluations: 224 C11 = 409.506310 +/- 0.007336 GPa C12 = 0.009973 +/- 0.005187 GPa C44 = 58.265327 +/- 0.001834 GPa B = 136.508752 +/- 0.004235 GPa