Figure 1.

Magnetization principal axes. The molecular structure of Dyacac together with the principal anisotropy axes of ground KD as obtained by simulation with the ab initio parameters (dashed axes and light colors) and by fit of CTM experimental curves (continuous axes and dark colors). Top and bottom panels show different molecule orientations to highlight the different axes: easy axis for top, intermediate, and hard for bottom. Axis color code: magenta = easy axis, orange = hard axis, and green = intermediate axis. Atomic color code: aquamarine = Dy, red = oxygen, gray = carbon, white = hydrogen.