He bcc Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000 3.302538082003594 Warning: Maximum number of iterations has been exceeded. C11 = 262.579960 +/- 0.007336 GPa C12 = 157.738787 +/- 0.005187 GPa C44 = 82.329772 +/- 0.001834 GPa B = 192.685844 +/- 0.004235 GPa