B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.664610 13.664610 20.393924 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.17050000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.82950000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32950000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.67050000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.32950000 Z=0.00000000
      -3: X=0.00000000 Y=0.67050000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.26        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.31410000 Y=0.31410000 Z=0.11170000
          MULT= 8          ISPLIT= 8
      -4: X=0.68590000 Y=0.68590000 Z=0.88830000
      -4: X=0.68590000 Y=0.31410000 Z=0.11170000
      -4: X=0.31410000 Y=0.68590000 Z=0.88830000
      -4: X=0.68590000 Y=0.68590000 Z=0.11170000
      -4: X=0.31410000 Y=0.31410000 Z=0.88830000
      -4: X=0.31410000 Y=0.68590000 Z=0.11170000
      -4: X=0.68590000 Y=0.31410000 Z=0.88830000
Si         NPT=  781  R0=.000100000 RMT= 2.26        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000