Al fcc Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 4.047059699892998
Warning: Maximum number of iterations has been exceeded.

C11 =    93.620091 +/-     0.007336 GPa
C12 =    75.222375 +/-     0.005187 GPa
C44 =    37.637340 +/-     0.001834 GPa
B   =    81.354947 +/-     0.004235 GPa