Si fcc SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005 3.886954694986343 Warning: Maximum number of iterations has been exceeded. C11 = 665.683241 +/- 0.007336 GPa C12 = 693.902940 +/- 0.005187 GPa C44 = 89.015774 +/- 0.001834 GPa B = 684.496374 +/- 0.004235 GPa