../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mg O AB_hP24_194_ab2f_e2f a c/a z3 z4 z5 z6 z7 standard 1 3.0015 9.9327003 0.37624143 0.16498622 0.58251967 0.041267423 0.79389808 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000