scale 1.0 scale1 1.0 scale2 1.0 scale3 1.0 avec 6.750100000 0.000000000 0.000000000 0.000000000 6.750100000 0.000000000 0.000000000 0.000000000 6.750100000 atoms 2 : nspecies 'Al.in' : spfname 1 : natoms; atpos, bfcmt below 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 'Ni.in' : spfname 3 : natoms; atpos, bfcmt below 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000