B   LATTICE,NONEQUIV.ATOMS   4  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.272475 17.272475 15.403914 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06256000 Y=0.29492000 Z=0.18149000
          MULT= 8          ISPLIT= 8
      -1: X=0.29492000 Y=0.93744000 Z=0.81851000
      -1: X=0.06256000 Y=0.70508000 Z=0.81851000
      -1: X=0.93744000 Y=0.70508000 Z=0.18149000
      -1: X=0.70508000 Y=0.93744000 Z=0.18149000
      -1: X=0.70508000 Y=0.06256000 Z=0.81851000
      -1: X=0.93744000 Y=0.29492000 Z=0.81851000
      -1: X=0.29492000 Y=0.06256000 Z=0.18149000
Si         NPT=  781  R0=.000100000 RMT= 1.38        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=0.14476000 Y=0.14476000 Z=0.22792000
          MULT= 4          ISPLIT= 8
      -2: X=0.14476000 Y=0.85524000 Z=0.77208000
      -2: X=0.85524000 Y=0.85524000 Z=0.22792000
      -2: X=0.85524000 Y=0.14476000 Z=0.77208000
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
ATOM  -3: X=0.28426000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.71574000 Z=0.00000000
      -3: X=0.71574000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.28426000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.17730000 Y=0.43018000 Z=0.19146000
          MULT= 8          ISPLIT= 8
      -4: X=0.43018000 Y=0.82270000 Z=0.80854000
      -4: X=0.17730000 Y=0.56982000 Z=0.80854000
      -4: X=0.82270000 Y=0.56982000 Z=0.19146000
      -4: X=0.56982000 Y=0.82270000 Z=0.19146000
      -4: X=0.56982000 Y=0.17730000 Z=0.80854000
      -4: X=0.82270000 Y=0.43018000 Z=0.80854000
      -4: X=0.43018000 Y=0.17730000 Z=0.19146000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000