Ar bcc LJ_Smoothed_Bernardes_1958_Ar__MO_764178710049_001 4.234457448124886
Warning: Maximum number of iterations has been exceeded.

C11 =     2.165471 +/-     0.007336 GPa
C12 =     2.684379 +/-     0.005187 GPa
C44 =     2.686983 +/-     0.001834 GPa
B   =     2.511409 +/-     0.004235 GPa