Ar bcc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_003 4.21454642713
Optimization terminated successfully.
         Current function value: -0.152743
         Iterations: 74
         Function evaluations: 196

C11 =     2.443068 +/-     0.007336 GPa
C12 =     2.935703 +/-     0.005187 GPa
C44 =     2.938765 +/-     0.001834 GPa
B   =     2.771492 +/-     0.004235 GPa