../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mg O AB_hR16_166_ab3c_4c a c/a x3 x4 x5 x6 x7 x8 x9 standard 1 2.9977935 20.013164 0.87554985 0.29224638 0.41537039 0.64611878 0.93843097 0.81289558 0.76921075 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000