../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Fe O A3B4_hR14_166_acd_ch a c/a x2 x3 x5 z5 standard 1 6.0474855 2.4682485 0.62645831 0.75524668 0.75873255 0.23286362 Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000