C bcc Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 2.4009046703577037
Optimization terminated successfully.
         Current function value: -2.814111
         Iterations: 73
         Function evaluations: 191

C11 = 688354.903039 +/-     0.007336 GPa
C12 = 227802.992625 +/-     0.005187 GPa
C44 = 67867.976012 +/-     0.001834 GPa
B   = 381320.296096 +/-     0.004235 GPa