B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.597766 23.597766 23.597766 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02279000 Y=0.23624000 Z=0.36894000
          MULT=24          ISPLIT= 8
      -1: X=0.23624000 Y=0.97721000 Z=0.63106000
      -1: X=0.02279000 Y=0.76376000 Z=0.63106000
      -1: X=0.36894000 Y=0.02279000 Z=0.23624000
      -1: X=0.97721000 Y=0.76376000 Z=0.36894000
      -1: X=0.76376000 Y=0.97721000 Z=0.36894000
      -1: X=0.02279000 Y=0.63106000 Z=0.76376000
      -1: X=0.76376000 Y=0.02279000 Z=0.63106000
      -1: X=0.97721000 Y=0.23624000 Z=0.63106000
      -1: X=0.63106000 Y=0.97721000 Z=0.23624000
      -1: X=0.23624000 Y=0.02279000 Z=0.36894000
      -1: X=0.97721000 Y=0.36894000 Z=0.76376000
      -1: X=0.36894000 Y=0.97721000 Z=0.76376000
      -1: X=0.97721000 Y=0.63106000 Z=0.23624000
      -1: X=0.63106000 Y=0.02279000 Z=0.76376000
      -1: X=0.02279000 Y=0.36894000 Z=0.23624000
      -1: X=0.63106000 Y=0.23624000 Z=0.97721000
      -1: X=0.23624000 Y=0.36894000 Z=0.02279000
      -1: X=0.36894000 Y=0.76376000 Z=0.97721000
      -1: X=0.76376000 Y=0.63106000 Z=0.02279000
      -1: X=0.63106000 Y=0.76376000 Z=0.02279000
      -1: X=0.76376000 Y=0.36894000 Z=0.97721000
      -1: X=0.36894000 Y=0.23624000 Z=0.02279000
      -1: X=0.23624000 Y=0.63106000 Z=0.97721000
Si         NPT=  781  R0=.000100000 RMT= 2.20        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  -2: X=0.10865000 Y=0.10865000 Z=0.10865000
          MULT= 4          ISPLIT= 4
      -2: X=0.10865000 Y=0.89135000 Z=0.89135000
      -2: X=0.89135000 Y=0.89135000 Z=0.10865000
      -2: X=0.89135000 Y=0.10865000 Z=0.89135000
Si         NPT=  781  R0=.000100000 RMT= 2.20        Z:  14.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Si         NPT=  781  R0=.000100000 RMT= 2.20        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  -4: X=0.06796000 Y=0.06796000 Z=0.29122000
          MULT=12          ISPLIT= 8
      -4: X=0.06796000 Y=0.93204000 Z=0.70878000
      -4: X=0.29122000 Y=0.06796000 Z=0.06796000
      -4: X=0.93204000 Y=0.93204000 Z=0.29122000
      -4: X=0.06796000 Y=0.70878000 Z=0.93204000
      -4: X=0.93204000 Y=0.06796000 Z=0.70878000
      -4: X=0.70878000 Y=0.93204000 Z=0.06796000
      -4: X=0.93204000 Y=0.29122000 Z=0.93204000
      -4: X=0.29122000 Y=0.93204000 Z=0.93204000
      -4: X=0.93204000 Y=0.70878000 Z=0.06796000
      -4: X=0.70878000 Y=0.06796000 Z=0.93204000
      -4: X=0.06796000 Y=0.29122000 Z=0.06796000
Si         NPT=  781  R0=.000100000 RMT= 2.20        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000