He sc Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000 2.588411957025528
Warning: Maximum number of iterations has been exceeded.

C11 =   699.075962 +/-     0.007336 GPa
C12 =   138.250223 +/-     0.005187 GPa
C44 =     3.494240 +/-     0.001834 GPa
B   =   325.192136 +/-     0.004235 GPa