../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Li A_oP6_51_ak a b/a c/a y2 z2 standard 1 5.8644 1.0712434 0.49788555 0.30413694 0.51007836 Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000