../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Li A_hR3_166_ac a c/a x2 standard 1 3.0652442 7.313745 0.77781729 Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000