../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mg O AB_hP24_192_l_l a c/a x1 y1 x2 y2 standard 1 9.6894 0.43200817 0.12273306 0.45452356 0.45180865 0.12274267 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000