Si fcc SW_LeeHwang_2012LDA_Si__MO_517338295712_000 4.176861062645912 Optimization terminated successfully. Current function value: -9.427861 Iterations: 76 Function evaluations: 202 C11 = 514.043117 +/- 0.007336 GPa C12 = 551.976541 +/- 0.005187 GPa C44 = 61.060747 +/- 0.001834 GPa B = 539.332066 +/- 0.004235 GPa