Mo bcc SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 2.653443209826946 Optimization terminated successfully. Current function value: -16.772004 Iterations: 70 Function evaluations: 185 C11 = 1058.781476 +/- 0.007336 GPa C12 = 551.737863 +/- 0.005187 GPa C44 = 554.396302 +/- 0.001834 GPa B = 720.752401 +/- 0.004235 GPa