B   LATTICE,NONEQUIV.ATOMS   9   82 I-4     
MODE OF CALC=RELA unit=bohr
 23.647844 23.647844 10.422407 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=15
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.09250000 Y=0.39760000 Z=0.00010000
          MULT= 4          ISPLIT=15
      -2: X=0.39760000 Y=0.90750000 Z=0.99990000
      -2: X=0.90750000 Y=0.60240000 Z=0.00010000
      -2: X=0.60240000 Y=0.09250000 Z=0.99990000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18549000 Y=0.11814000 Z=0.00984000
          MULT= 4          ISPLIT=15
      -3: X=0.11814000 Y=0.81451000 Z=0.99016000
      -3: X=0.81451000 Y=0.88186000 Z=0.00984000
      -3: X=0.88186000 Y=0.18549000 Z=0.99016000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -5: X=0.10289000 Y=0.24524000 Z=0.49450000
          MULT= 4          ISPLIT=15
      -5: X=0.24524000 Y=0.89711000 Z=0.50550000
      -5: X=0.89711000 Y=0.75476000 Z=0.49450000
      -5: X=0.75476000 Y=0.10289000 Z=0.50550000
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  -6: X=0.45350000 Y=0.29820000 Z=0.23980000
          MULT= 4          ISPLIT=15
      -6: X=0.29820000 Y=0.54650000 Z=0.76020000
      -6: X=0.54650000 Y=0.70180000 Z=0.23980000
      -6: X=0.70180000 Y=0.45350000 Z=0.76020000
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  -7: X=0.03930000 Y=0.20270000 Z=0.25520000
          MULT= 4          ISPLIT=15
      -7: X=0.20270000 Y=0.96070000 Z=0.74480000
      -7: X=0.96070000 Y=0.79730000 Z=0.25520000
      -7: X=0.79730000 Y=0.03930000 Z=0.74480000
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  -8: X=0.38530000 Y=0.12490000 Z=0.00280000
          MULT= 4          ISPLIT=15
      -8: X=0.12490000 Y=0.61470000 Z=0.99720000
      -8: X=0.61470000 Y=0.87510000 Z=0.00280000
      -8: X=0.87510000 Y=0.38530000 Z=0.99720000
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  -9: X=0.22460000 Y=0.19890000 Z=0.46760000
          MULT= 4          ISPLIT=15
      -9: X=0.19890000 Y=0.77540000 Z=0.53240000
      -9: X=0.77540000 Y=0.80110000 Z=0.46760000
      -9: X=0.80110000 Y=0.22460000 Z=0.53240000
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