S sc Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 2.764769941568375 Optimization terminated successfully. Current function value: -2.039010 Iterations: 77 Function evaluations: 198 C11 = 1087.745626 +/- 0.007336 GPa C12 = 1277.877713 +/- 0.005187 GPa C44 = -3.440040 +/- 0.001834 GPa B = 1214.500351 +/- 0.004235 GPa