O sc Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001 3.601827144622803
Warning: Maximum number of iterations has been exceeded.

C11 =     1.070533 +/-     0.007336 GPa
C12 =    -0.095308 +/-     0.005187 GPa
C44 =    -0.095307 +/-     0.001834 GPa
B   =     0.293306 +/-     0.004235 GPa