new XAS atom Dy ground_state 3d10 4f9 scaler_coulomb 0.8 scaler_xtal_field 1.2 scaler_so_coupling 0.96 threshold_corr +27. core_hole_broad 0.6 polar_in 0.866 0 0.5 begin_xtal 1.00 # scale 1 for Angstrom as length units 0.000 0.000 2.032 -1.500 1.740 0.000 3.090 2.800 -1.740 0.000 3.090 2.800 end_xtal