F   LATTICE,NONEQUIV.ATOMS   8   43 Fdd2    
MODE OF CALC=RELA unit=bohr
 21.724292 23.882359 40.500611 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.66670000
          MULT= 2          ISPLIT=15
      -1: X=0.25000000 Y=0.25000000 Z=0.91670000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00860000 Y=0.22040000 Z=0.24920000
          MULT= 4          ISPLIT=15
      -2: X=0.99140000 Y=0.77960000 Z=0.24920000
      -2: X=0.24140000 Y=0.47040000 Z=0.49920000
      -2: X=0.25860000 Y=0.02960000 Z=0.49920000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.38250000 Y=0.07820000 Z=0.09540000
          MULT= 4          ISPLIT=15
      -3: X=0.61750000 Y=0.92180000 Z=0.09540000
      -3: X=0.86750000 Y=0.32820000 Z=0.34540000
      -3: X=0.63250000 Y=0.17180000 Z=0.34540000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.61540000 Y=0.15280000 Z=0.17070000
          MULT= 4          ISPLIT=15
      -4: X=0.38460000 Y=0.84720000 Z=0.17070000
      -4: X=0.63460000 Y=0.40280000 Z=0.42070000
      -4: X=0.86540000 Y=0.09720000 Z=0.42070000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13240000 Y=0.17570000 Z=0.00160000
          MULT= 4          ISPLIT=15
      -5: X=0.86760000 Y=0.82430000 Z=0.00160000
      -5: X=0.11760000 Y=0.42570000 Z=0.25160000
      -5: X=0.38240000 Y=0.07430000 Z=0.25160000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11680000 Y=0.16600000 Z=0.17430000
          MULT= 4          ISPLIT=15
      -6: X=0.88320000 Y=0.83400000 Z=0.17430000
      -6: X=0.13320000 Y=0.41600000 Z=0.42430000
      -6: X=0.36680000 Y=0.08400000 Z=0.42430000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.13120000 Y=0.15160000 Z=0.49830000
          MULT= 4          ISPLIT=15
      -7: X=0.86880000 Y=0.84840000 Z=0.49830000
      -7: X=0.11880000 Y=0.40160000 Z=0.74830000
      -7: X=0.38120000 Y=0.09840000 Z=0.74830000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.11650000 Y=0.16020000 Z=0.33050000
          MULT= 4          ISPLIT=15
      -8: X=0.88350000 Y=0.83980000 Z=0.33050000
      -8: X=0.13350000 Y=0.41020000 Z=0.58050000
      -8: X=0.36650000 Y=0.08980000 Z=0.58050000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000