C bcc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 2.314040064811707
Warning: Maximum number of iterations has been exceeded.

C11 = 171217.089660 +/-     0.007336 GPa
C12 = 170799.845400 +/-     0.005187 GPa
C44 =  -257.500431 +/-     0.001834 GPa
B   = 170938.926820 +/-     0.004235 GPa