Si sc SW_LeeHwang_2012LDA_Si__MO_517338295712_001 2.641416795551777 Optimization terminated successfully. Current function value: -2.548383 Iterations: 88 Function evaluations: 237 C11 = 312.878235 +/- 0.007336 GPa C12 = 48.574267 +/- 0.005187 GPa C44 = 29.400790 +/- 0.001834 GPa B = 136.675590 +/- 0.004235 GPa