Catalogue files used to generate the effective models described in arXiv:1710.01742 [cond-mat.dis-nn]. Files are structured as
catalogue_prototype_matrix_type.dat
where
*prototype = the simulation where the catalogue was computed from. In this case it is "SiS_GG" to indicate it is Si:S with geometry relaxation effect included.
*matrix = either Hamiltonian (ham) or overlap (ovlp).
*type = it can be 0 (matrix elements pertaining to the impurity sites), 1 (silicon sites neighbouring a single impurity), 2-5 (silicon sites neighbouring a pair of impurities which are 1st to 4th nearest neighbours).
For the silicon-only background, the filenames are
catalogue_ham_-1.dat
catalogue_ovlp_-1.dat
All files consist of lines describing the matrix elements between sites i and j. These lines contain, in order,
*an integer indicating the sublattice of site i
*an integer indicating the sublattice of site j
*the three real coordinates of the displacement vector from site i to j
*the three real coordinates of the displacement vector from site i to the closest impurity
*the three real coordinates of the displacement vector from site i to the second closest impurity
*81 real numbers of the 9x9 matrix block, printed by rows.