Mo fcc SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 3.4375253468751907 Optimization terminated successfully. Current function value: -33.141636 Iterations: 72 Function evaluations: 188 C11 = 728.634905 +/- 0.007336 GPa C12 = 282.475673 +/- 0.005187 GPa C44 = 287.670021 +/- 0.001834 GPa B = 431.195417 +/- 0.004235 GPa