Si bcc SW_LeeHwang_2012LDA_Si__MO_517338295712_000 3.267912112176418 Optimization terminated successfully. Current function value: -4.895868 Iterations: 73 Function evaluations: 188 C11 = 623.627163 +/- 0.007336 GPa C12 = 461.453577 +/- 0.005187 GPa C44 = 44.312019 +/- 0.001834 GPa B = 515.511439 +/- 0.004235 GPa