C fcc Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 3.1365561038255687 Optimization terminated successfully. Current function value: -4.287569 Iterations: 73 Function evaluations: 188 C11 = 1377676.493932 +/- 0.007336 GPa C12 = 383278.146215 +/- 0.005187 GPa C44 = 192772.522205 +/- 0.001834 GPa B = 714744.262121 +/- 0.004235 GPa