S fcc Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 4.360442727804184 Optimization terminated successfully. Current function value: -5.640798 Iterations: 87 Function evaluations: 203 C11 = 1017926.268233 +/- 0.007336 GPa C12 = 282118.520986 +/- 0.005187 GPa C44 = 157042.164630 +/- 0.001834 GPa B = 527387.770068 +/- 0.004235 GPa