Si diamond SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 5.43094974756 Optimization terminated successfully. Current function value: -37.039998 Iterations: 70 Function evaluations: 189 C11 = 215.053908 +/- 0.007336 GPa C12 = 54.900857 +/- 0.005187 GPa C44 = 96.633625 +/- 0.001834 GPa B = 108.285207 +/- 0.004235 GPa