H diamond Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 3.554999202489853
Optimization terminated successfully.
         Current function value: -3.099924
         Iterations: 71
         Function evaluations: 182

C11 = -17066264.922300 +/-     0.007336 GPa
C12 =  1274.014791 +/-     0.005187 GPa
C44 = -6399596.073684 +/-     0.001834 GPa
B   = -5687905.630906 +/-     0.004235 GPa