S diamond SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 7.3653266578912735 Optimization terminated successfully. Current function value: -1.111964 Iterations: 1064 Function evaluations: 3080 C11 = 4.037683 +/- 0.007336 GPa C12 = 4.037696 +/- 0.005187 GPa C44 = 0.000039 +/- 0.001834 GPa B = 4.037692 +/- 0.004235 GPa