S bcc SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 3.526105388998985 Optimization terminated successfully. Current function value: -0.792933 Iterations: 74 Function evaluations: 192 C11 = 32.273127 +/- 0.007336 GPa C12 = 25.659228 +/- 0.005187 GPa C44 = 25.687937 +/- 0.001834 GPa B = 27.863861 +/- 0.004235 GPa