B   LATTICE,NONEQUIV.ATOMS   6  141 I41/amd 
MODE OF CALC=RELA unit=bohr
 13.180840 13.180840 34.600886 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.20147000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.79853000
      -1: X=0.00000000 Y=0.75000000 Z=0.45147000
      -1: X=0.50000000 Y=0.75000000 Z=0.04853000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.25000000 Z=0.07920000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.75000000 Z=0.92080000
      -3: X=0.00000000 Y=0.75000000 Z=0.32920000
      -3: X=0.50000000 Y=0.75000000 Z=0.17080000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50830000 Z=0.20100000
          MULT= 8          ISPLIT=15
      -4: X=0.00000000 Y=0.49170000 Z=0.79900000
      -4: X=0.74170000 Y=0.75000000 Z=0.45100000
      -4: X=0.75830000 Y=0.75000000 Z=0.04900000
      -4: X=0.00000000 Y=0.99170000 Z=0.20100000
      -4: X=0.00000000 Y=0.00830000 Z=0.79900000
      -4: X=0.75830000 Y=0.25000000 Z=0.95100000
      -4: X=0.74170000 Y=0.25000000 Z=0.54900000
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
ATOM  -5: X=0.00000000 Y=0.07530000 Z=0.43220000
          MULT= 8          ISPLIT=15
      -5: X=0.00000000 Y=0.92470000 Z=0.56780000
      -5: X=0.17470000 Y=0.75000000 Z=0.68220000
      -5: X=0.32530000 Y=0.75000000 Z=0.81780000
      -5: X=0.00000000 Y=0.42470000 Z=0.43220000
      -5: X=0.00000000 Y=0.57530000 Z=0.56780000
      -5: X=0.32530000 Y=0.25000000 Z=0.18220000
      -5: X=0.17470000 Y=0.25000000 Z=0.31780000
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
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -6: X=0.25000000 Y=0.75000000 Z=0.25000000
      -6: X=0.00000000 Y=0.50000000 Z=0.00000000
      -6: X=0.25000000 Y=0.25000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000