Fe diamond Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000 5.288238316774368
Warning: Maximum number of iterations has been exceeded.

C11 = -632451.509367 +/-     0.007336 GPa
C12 =   154.299841 +/-     0.005187 GPa
C44 = -474376.205367 +/-     0.001834 GPa
B   = -210714.303229 +/-     0.004235 GPa