Si bcc SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 3.39089084417
Warning: Maximum number of function evaluations has been exceeded.

C11 =   794.476525 +/-     0.007336 GPa
C12 =   630.043893 +/-     0.005187 GPa
C44 =    59.058502 +/-     0.001834 GPa
B   =   684.854770 +/-     0.004235 GPa