S diamond Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 5.967737130820751 C11 = -723011.984318 +/- 0.007336 GPa C12 = 714.944514 +/- 0.005187 GPa C44 = -271254.422020 +/- 0.001834 GPa B = -240527.365097 +/- 0.004235 GPa