../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mg O AB_oI32_72_2j_2j a b/a c/a x1 y1 x2 y2 x3 y3 x4 y4 standard 1 14.5315 0.42777415 0.28962598 0.57083721 0.16537691 0.18984938 0.83617209 0.69000004 0.33585844 0.070816748 0.66979686 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000