O bcc Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 3.534203097224236
Optimization terminated successfully.
         Current function value: -0.443219
         Iterations: 77
         Function evaluations: 196

C11 =     4.003275 +/-     0.007336 GPa
C12 =     4.055877 +/-     0.005187 GPa
C44 =     4.055905 +/-     0.001834 GPa
B   =     4.038343 +/-     0.004235 GPa