Si bcc Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 3.0711041018366823 Optimization terminated successfully. Current function value: -7.871023 Iterations: 72 Function evaluations: 189 C11 = 1055.684798 +/- 0.007336 GPa C12 = 196.230207 +/- 0.005187 GPa C44 = 178.284978 +/- 0.001834 GPa B = 482.715071 +/- 0.004235 GPa