Li fcc Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 4.405850410461426 Optimization terminated successfully. Current function value: -6.435591 Iterations: 74 Function evaluations: 198 C11 = 14.330340 +/- 0.007336 GPa C12 = 16.496677 +/- 0.005187 GPa C44 = 18.201234 +/- 0.001834 GPa B = 15.774565 +/- 0.004235 GPa