Si bcc SW_LeeHwang_2012LDA_Si__MO_517338295712_001 3.267912112176418 Optimization terminated successfully. Current function value: -4.895868 Iterations: 77 Function evaluations: 203 C11 = 623.627143 +/- 0.007336 GPa C12 = 461.453568 +/- 0.005187 GPa C44 = 44.312020 +/- 0.001834 GPa B = 515.511427 +/- 0.004235 GPa