Fe sc Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000 2.242532946169376
Warning: Maximum number of iterations has been exceeded.

C11 =   885.024895 +/-     0.007336 GPa
C12 =   237.428848 +/-     0.005187 GPa
C44 =   -41.352202 +/-     0.001834 GPa
B   =   453.294197 +/-     0.004235 GPa