Figure shows the resulting optimized structures of the Hterminated clusters with different twist angles, along with the 2D plot of the ESP in a plane bisecting the two hBN layers of the respective clusters. One sees from Fig. that as for the cluster with θ = 0°, the periodicity of the interlayer ESP matches that of the atomic configuration (for the crosssectional map perpendicular to the atomic planes, see Fig. ). The periodic pattern is created by the negative ESP on the N atoms and the positive ESP on the B atoms located exactly above (or below) the N atoms. As the twist angle increases from zero, the anti-aligned AA stacking (B on N or (lower panels) with the same twist angle. These images are created by cropping and rotating the original images for the ease of comparison.