B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.733774 13.733774 21.448581 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.17384000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.82616000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33560000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.66440000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.33560000 Z=0.00000000
      -3: X=0.00000000 Y=0.66440000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.24        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=0.31399000 Y=0.31399000 Z=0.10589000
          MULT= 8          ISPLIT= 8
      -4: X=0.68601000 Y=0.68601000 Z=0.89411000
      -4: X=0.68601000 Y=0.31399000 Z=0.10589000
      -4: X=0.31399000 Y=0.68601000 Z=0.89411000
      -4: X=0.68601000 Y=0.68601000 Z=0.10589000
      -4: X=0.31399000 Y=0.31399000 Z=0.89411000
      -4: X=0.31399000 Y=0.68601000 Z=0.10589000
      -4: X=0.68601000 Y=0.31399000 Z=0.89411000
Si         NPT=  781  R0=.000100000 RMT= 2.24        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000