Ar sc LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 3.6343565881252293
Warning: Maximum number of iterations has been exceeded.

C11 =     5.295353 +/-     0.007336 GPa
C12 =    -0.325555 +/-     0.005187 GPa
C44 =    -0.325553 +/-     0.001834 GPa
B   =     1.548081 +/-     0.004235 GPa