scale
 1.0

scale1
 1.0

scale2
 1.0

scale3
 1.0

avec
   7.888832000       7.888832000       0.000000000    
   7.888832000      -7.888832000       0.000000000    
   7.888832000       0.000000000       7.888832000    

atoms
   4                                    : nspecies
'O.in'                                  : spfname
   6                                    : natoms; atpos, bfcmt below
   -0.23551000   -0.23551000    0.47102000    0.00000000  0.00000000  0.00000000
    0.23551000    0.23551000   -0.47102000    0.00000000  0.00000000  0.00000000
    0.23551000    0.23551000    0.00000000    0.00000000  0.00000000  0.00000000
   -0.23551000   -0.23551000    0.00000000    0.00000000  0.00000000  0.00000000
    0.23551000   -0.23551000    0.00000000    0.00000000  0.00000000  0.00000000
   -0.23551000    0.23551000    0.00000000    0.00000000  0.00000000  0.00000000
'Ba.in'                                 : spfname
   2                                    : natoms; atpos, bfcmt below
    0.25000000   -0.25000000    0.50000000    0.00000000  0.00000000  0.00000000
   -0.25000000    0.25000000    0.50000000    0.00000000  0.00000000  0.00000000
'Ir.in'                                 : spfname
   1                                    : natoms; atpos, bfcmt below
    0.00000000    0.00000000    0.00000000    0.00000000  0.00000000  0.00000000
'Y.in'                                  : spfname
   1                                    : natoms; atpos, bfcmt below
    0.50000000    0.50000000    0.00000000    0.00000000  0.00000000  0.00000000