Xe bcc LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_003 4.91241363436
Warning: Maximum number of function evaluations has been exceeded.

C11 =     3.081788 +/-     0.007336 GPa
C12 =     3.774224 +/-     0.005187 GPa
C44 =     3.778453 +/-     0.001834 GPa
B   =     3.543412 +/-     0.004235 GPa