S fcc SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 4.510323032736779
Warning: Maximum number of iterations has been exceeded.

C11 =    39.561122 +/-     0.007336 GPa
C12 =    19.780665 +/-     0.005187 GPa
C44 =    19.780957 +/-     0.001834 GPa
B   =    26.374151 +/-     0.004235 GPa