O sc Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 3.699483975768089
Optimization terminated successfully.
         Current function value: -0.098569
         Iterations: 83
         Function evaluations: 222

C11 =     0.942211 +/-     0.007336 GPa
C12 =    -0.082819 +/-     0.005187 GPa
C44 =    -0.082819 +/-     0.001834 GPa
B   =     0.258857 +/-     0.004235 GPa