Si fcc SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 4.32650376111269 Optimization terminated successfully. Current function value: -10.807001 Iterations: 72 Function evaluations: 185 C11 = 850.771669 +/- 0.007336 GPa C12 = 927.786078 +/- 0.005187 GPa C44 = 96.233061 +/- 0.001834 GPa B = 902.114608 +/- 0.004235 GPa