B   LATTICE,NONEQUIV.ATOMS   2  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.650566 16.650566 16.650566 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.50000000 Y=0.75000000 Z=0.00000000
      -1: X=0.75000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.25000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.35490000 Y=0.35490000 Z=0.01480000
          MULT=12          ISPLIT= 8
      -2: X=0.35490000 Y=0.64510000 Z=0.98520000
      -2: X=0.01480000 Y=0.35490000 Z=0.35490000
      -2: X=0.64510000 Y=0.64510000 Z=0.01480000
      -2: X=0.35490000 Y=0.98520000 Z=0.64510000
      -2: X=0.64510000 Y=0.35490000 Z=0.98520000
      -2: X=0.98520000 Y=0.64510000 Z=0.35490000
      -2: X=0.64510000 Y=0.01480000 Z=0.64510000
      -2: X=0.01480000 Y=0.64510000 Z=0.64510000
      -2: X=0.64510000 Y=0.98520000 Z=0.35490000
      -2: X=0.98520000 Y=0.35490000 Z=0.64510000
      -2: X=0.35490000 Y=0.01480000 Z=0.35490000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000