Si fcc SW_LeeHwang_2012GGA_Si__MO_040570764911_000 4.261248834431172 Warning: Maximum number of iterations has been exceeded. C11 = 480.230814 +/- 0.007336 GPa C12 = 518.538184 +/- 0.005187 GPa C44 = 55.929866 +/- 0.001834 GPa B = 505.769061 +/- 0.004235 GPa