Mode=4 0.002 0.500 cuau_par Cu_3 Au -- A15 Cu_3 Au 8.40 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 8.40 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=T LATTIC=1 spcgrp.a15 ILAT=F -1313 sc.r06 Cu_3 Au -- A15 Cu_3 Au 8.60 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 8.60 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu_3 Au -- A15 Cu_3 Au 8.80 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 8.80 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu_3 Au -- A15 Cu_3 Au 9.00 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.00 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu_3 Au -- A15 Cu_3 Au 9.20 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.20 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu_3 Au 9.40 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.40 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 2 0.00 0.00 0.00 0 0 0 2 0.50 0.50 0.50 0 0 0 1 0.25 0.50 0.00 0 0 0 1 0.75 0.50 0.00 0 0 0 1 0.00 0.25 0.50 0 0 0 1 0.00 0.75 0.50 0 0 0 1 0.50 0.00 0.25 0 0 0 1 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 8.60 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 8.60 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 9.00 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.00 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 9.20 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.20 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 9.40 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.40 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 9.60 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.60 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 9.80 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 9.80 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F Cu Au_3 -- A15 Cu Au_3 10.00 (20 character label) 0.0 (Electrons above nominal copper charge) 4 (sc lattice, read a) 10.00 (lattice constant) 0 (No strains) 8 (Atoms in the unit cell) 3 3 3 F (Logical variable -- no internal displacements) 1 0.00 0.00 0.00 0 0 0 1 0.50 0.50 0.50 0 0 0 2 0.25 0.50 0.00 0 0 0 2 0.75 0.50 0.00 0 0 0 2 0.00 0.25 0.50 0 0 0 2 0.00 0.75 0.50 0 0 0 2 0.50 0.00 0.25 0 0 0 2 0.50 0.00 0.75 0 0 0 NEWSYM=F