O sc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 3.002244919538498
Warning: Maximum number of iterations has been exceeded.

C11 =     8.645220 +/-     0.007336 GPa
C12 =    -0.992229 +/-     0.005187 GPa
C44 =    -0.992217 +/-     0.001834 GPa
B   =     2.220254 +/-     0.004235 GPa