O fcc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 2.6738886833190922
Warning: Maximum number of iterations has been exceeded.

C11 = 202404.137052 +/-     0.007336 GPa
C12 = 191895.194854 +/-     0.005187 GPa
C44 = 12079.052054 +/-     0.001834 GPa
B   = 195398.175586 +/-     0.004235 GPa