Xe sc LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_003 4.2489926517
Warning: Maximum number of function evaluations has been exceeded.

C11 =     6.460567 +/-     0.007336 GPa
C12 =    -0.405562 +/-     0.005187 GPa
C44 =    -0.407560 +/-     0.001834 GPa
B   =     1.883148 +/-     0.004235 GPa