F   LATTICE,NONEQUIV.ATOMS   6   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.946789 21.348614 38.552114 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.27543000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.72457000
      -1: X=0.87500000 Y=0.37500000 Z=0.52543000
      -1: X=0.12500000 Y=0.12500000 Z=0.97457000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.45592000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.54408000
      -2: X=0.87500000 Y=0.37500000 Z=0.70592000
      -2: X=0.12500000 Y=0.12500000 Z=0.79408000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.37500000
Mg         NPT=  781  R0=.000100000 RMT= 2.09        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.28311000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -4: X=0.71689000 Y=0.87500000 Z=0.87500000
      -4: X=0.53311000 Y=0.37500000 Z=0.87500000
      -4: X=0.96689000 Y=0.12500000 Z=0.12500000
Si         NPT=  781  R0=.000100000 RMT= 1.55        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.41410000 Y=0.12960000 Z=0.05656000
          MULT= 8          ISPLIT= 8
      -5: X=0.58590000 Y=0.87040000 Z=0.94344000
      -5: X=0.66410000 Y=0.37960000 Z=0.94344000
      -5: X=0.83590000 Y=0.12040000 Z=0.05656000
      -5: X=0.58590000 Y=0.37960000 Z=0.30656000
      -5: X=0.41410000 Y=0.12040000 Z=0.19344000
      -5: X=0.83590000 Y=0.12960000 Z=0.19344000
      -5: X=0.66410000 Y=0.87040000 Z=0.30656000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12500000 Y=0.00870000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -6: X=0.87500000 Y=0.99130000 Z=0.87500000
      -6: X=0.37500000 Y=0.25870000 Z=0.87500000
      -6: X=0.12500000 Y=0.24130000 Z=0.12500000
N          NPT=  781  R0=.000100000 RMT= 1.72        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000