O diamond Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 3.830623045563698
Optimization terminated successfully.
         Current function value: -19.938257
         Iterations: 77
         Function evaluations: 202

C11 = -4714058.741985 +/-     0.007336 GPa
C12 =  5047.886313 +/-     0.005187 GPa
C44 = -1768781.073332 +/-     0.001834 GPa
B   = -1567987.656453 +/-     0.004235 GPa