B   LATTICE,NONEQUIV.ATOMS   9   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 21.881139 21.881139 10.196962 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11540000 Y=0.18240000 Z=0.47680000
          MULT= 4          ISPLIT= 8
      -1: X=0.18240000 Y=0.88460000 Z=0.52320000
      -1: X=0.88460000 Y=0.81760000 Z=0.47680000
      -1: X=0.81760000 Y=0.11540000 Z=0.52320000
Y          NPT=  781  R0=.000010000 RMT= 2.22        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24670000 Y=0.10310000 Z=0.01100000
          MULT= 4          ISPLIT= 8
      -2: X=0.10310000 Y=0.75330000 Z=0.98900000
      -2: X=0.75330000 Y=0.89690000 Z=0.01100000
      -2: X=0.89690000 Y=0.24670000 Z=0.98900000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10450000 Y=0.41070000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -3: X=0.41070000 Y=0.89550000 Z=0.99100000
      -3: X=0.89550000 Y=0.58930000 Z=0.00900000
      -3: X=0.58930000 Y=0.10450000 Z=0.99100000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
F          NPT=  781  R0=.000100000 RMT= 2.29        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.20600000 Y=0.03300000 Z=0.25900000
          MULT= 4          ISPLIT= 8
      -6: X=0.03300000 Y=0.79400000 Z=0.74100000
      -6: X=0.79400000 Y=0.96700000 Z=0.25900000
      -6: X=0.96700000 Y=0.20600000 Z=0.74100000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.10970000 Y=0.61320000 Z=0.01800000
          MULT= 4          ISPLIT= 8
      -7: X=0.61320000 Y=0.89030000 Z=0.98200000
      -7: X=0.89030000 Y=0.38680000 Z=0.01800000
      -7: X=0.38680000 Y=0.10970000 Z=0.98200000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.20400000 Y=0.23460000 Z=0.06500000
          MULT= 4          ISPLIT= 8
      -8: X=0.23460000 Y=0.79600000 Z=0.93500000
      -8: X=0.79600000 Y=0.76540000 Z=0.06500000
      -8: X=0.76540000 Y=0.20400000 Z=0.93500000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.31200000 Y=0.45100000 Z=0.26600000
          MULT= 4          ISPLIT= 8
      -9: X=0.45100000 Y=0.68800000 Z=0.73400000
      -9: X=0.68800000 Y=0.54900000 Z=0.26600000
      -9: X=0.54900000 Y=0.31200000 Z=0.73400000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000