Si diamond SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 5.430949792265892 Optimization terminated successfully. Current function value: -37.039998 Iterations: 1064 Function evaluations: 3170 C11 = 215.053899 +/- 0.007336 GPa C12 = 54.900854 +/- 0.005187 GPa C44 = 96.633621 +/- 0.001834 GPa B = 108.285202 +/- 0.004235 GPa