Xe diamond LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_003 9.93435794115
Warning: Maximum number of function evaluations has been exceeded.

C11 =     0.542295 +/-     0.007336 GPa
C12 =     0.726093 +/-     0.005187 GPa
C44 =    -0.208147 +/-     0.001834 GPa
B   =     0.664827 +/-     0.004235 GPa