why

Alloy Theoretic Automated Toolkit (ATAT)
1

the bestcorr I get is as follows.When the first line is 2 each different second line has only one value.I don’t know why the first line is 3 some second line shares the same value has more than one values?
2 0.707107 0.250000 0.250000 0.000000
2 1.000000 0.250000 0.250000 0.000000
2 1.224745 0.250000 0.250000 0.000000
3 0.707107 -0.125000 -0.125000 0.000000
3 0.707107 -0.125000 -0.125000 0.000000
3 1.000000 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000
3 1.224745 -0.125000 -0.125000 0.000000

2

The first column is the number of points in the cluster.
The second column is the diameter. For every 2-body cluster (first column=2), it has different diameters, if you have a fcc/bcc/hcp lattice (in which all atomic sites are equivalent). For 3-body clusters, different clusters may have the same diameter.