B   LATTICE,NONEQUIV.ATOMS   3  141 I41/amd 
MODE OF CALC=RELA unit=bohr
 13.479039 13.479039 11.940801 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
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=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.00000000 Y=0.07320000 Z=0.21040000
          MULT= 8          ISPLIT=15
      -3: X=0.00000000 Y=0.92680000 Z=0.78960000
      -3: X=0.17680000 Y=0.75000000 Z=0.46040000
      -3: X=0.32320000 Y=0.75000000 Z=0.03960000
      -3: X=0.00000000 Y=0.42680000 Z=0.21040000
      -3: X=0.00000000 Y=0.57320000 Z=0.78960000
      -3: X=0.32320000 Y=0.25000000 Z=0.96040000
      -3: X=0.17680000 Y=0.25000000 Z=0.53960000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000