Xe fcc LJ_Shifted_Bernardes_1958HighCutoff_Xe__MO_796748253903_003 6.13876706362
Warning: Maximum number of function evaluations has been exceeded.

C11 =     5.314410 +/-     0.007336 GPa
C12 =     3.038005 +/-     0.005187 GPa
C44 =     3.044478 +/-     0.001834 GPa
B   =     3.796807 +/-     0.004235 GPa