../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al O A2B3_oP20_60_d_cd a b/a c/a y1 x2 y2 z2 x3 y3 z3 standard 1 7.0891 0.68373983 0.70309348 0.95034198 0.8903722 0.24783707 0.030580298 0.15406758 0.39315918 0.10216084 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_AlO__SM_466046725502_000