B   LATTICE,NONEQUIV.ATOMS   8   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 31.736061 31.736061  6.347590 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.45020000 Y=0.08130000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.54980000 Y=0.91870000 Z=0.00000000
      -2: X=0.91870000 Y=0.45020000 Z=0.00000000
      -2: X=0.08130000 Y=0.54980000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.02020000 Y=0.27770000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.97980000 Y=0.72230000 Z=0.00000000
      -3: X=0.72230000 Y=0.02020000 Z=0.00000000
      -3: X=0.27770000 Y=0.97980000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18510000 Y=0.38430000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.81490000 Y=0.61570000 Z=0.00000000
      -4: X=0.61570000 Y=0.18510000 Z=0.00000000
      -4: X=0.38430000 Y=0.81490000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.19860000 Y=0.19190000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.80140000 Y=0.80810000 Z=0.00000000
      -5: X=0.80810000 Y=0.19860000 Z=0.00000000
      -5: X=0.19190000 Y=0.80140000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.36430000 Y=0.45090000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.63570000 Y=0.54910000 Z=0.00000000
      -6: X=0.54910000 Y=0.36430000 Z=0.00000000
      -6: X=0.45090000 Y=0.63570000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.06370000 Y=0.13770000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.93630000 Y=0.86230000 Z=0.00000000
      -7: X=0.86230000 Y=0.06370000 Z=0.00000000
      -7: X=0.13770000 Y=0.93630000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.36440000 Y=0.21260000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.63560000 Y=0.78740000 Z=0.00000000
      -8: X=0.78740000 Y=0.36440000 Z=0.00000000
      -8: X=0.21260000 Y=0.63560000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000