Xe bcc LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_003 4.91720545292
Warning: Maximum number of function evaluations has been exceeded.

C11 =     3.043635 +/-     0.007336 GPa
C12 =     3.716127 +/-     0.005187 GPa
C44 =     3.720224 +/-     0.001834 GPa
B   =     3.491963 +/-     0.004235 GPa