Si bcc SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 3.3908908516168603 Optimization terminated successfully. Current function value: -5.694305 Iterations: 73 Function evaluations: 193 C11 = 794.476642 +/- 0.007336 GPa C12 = 630.043936 +/- 0.005187 GPa C44 = 59.058503 +/- 0.001834 GPa B = 684.854838 +/- 0.004235 GPa