site_displacements

AtomMappingSearchData.site_displacements(

self: AtomMappingSearchData,

) → list[list[numpy.ndarray[numpy.float64[3, 1]]]]

Returns the site-to-atom displacements of minimum length under periodic boundary conditions of the ideal superstructure.

The displacements are indexed using site_displacements[site_index][atom_index], where the site_index and atom_index are indices into the columns of lattice_mapping_data.supercell_site_coordinate_cart() and lattice_mapping_data.atom_coordinate_cart_in_supercell(), respectively.