Si bcc SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 3.390890844166279 Optimization terminated successfully. Current function value: -5.694305 Iterations: 73 Function evaluations: 187 C11 = 794.476566 +/- 0.007336 GPa C12 = 630.043909 +/- 0.005187 GPa C44 = 59.058503 +/- 0.001834 GPa B = 684.854795 +/- 0.004235 GPa