Si fcc SW_LeeHwang_2012LDA_Si__MO_517338295712_000 4.17686106265 Warning: Maximum number of function evaluations has been exceeded. C11 = 514.043105 +/- 0.007336 GPa C12 = 551.976526 +/- 0.005187 GPa C44 = 61.060745 +/- 0.001834 GPa B = 539.332052 +/- 0.004235 GPa