Dear Constanze

I have another problem. Is there a difference between the CAN index and HA index？

for HA index: (i) The second index represents whether or not they are near-neighbor (ii) The second index represents the number of near neighbors they have in common. (iii) The third index is for the number of nearest-neighbor bonds among the shared neighbors. (iv) A fourth index is used to distinguish configurations with the same first three indices but with a different topology.

According the literature [Faken and Jonsson, Comput. Mater. Sci. 2, 279], the bonded pairs of type 555 are characteristic of Icosahedral order , but in HA index, the 1551 and 1541 pairs are icosahedral order. Based on the definition of both, I think that 55x and 54x in CAN index is same as the 155x and 154x, is this right? If it is right, the type 55x and 54x in CAN index can represent the five-fold symmetry based motifs, that is, the icosahedral order degree.

Thanks

-Sacho