F   LATTICE,NONEQUIV.ATOMS   7   70 Fddd    
MODE OF CALC=RELA unit=bohr
 13.946179 24.150700 30.160029 90.000000 90.000000 90.000000
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -1: X=0.87500000 Y=0.87500000 Z=0.87500000
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=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -2: X=0.87500000 Y=0.87500000 Z=0.37500000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
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=0.38300000
          MULT= 4          ISPLIT=15
      -3: X=0.87500000 Y=0.87500000 Z=0.61700000
      -3: X=0.87500000 Y=0.37500000 Z=0.63300000
      -3: X=0.12500000 Y=0.12500000 Z=0.86700000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.40800000 Y=0.02500000 Z=0.12300000
          MULT= 8          ISPLIT=15
      -4: X=0.59200000 Y=0.97500000 Z=0.87700000
      -4: X=0.65800000 Y=0.27500000 Z=0.87700000
      -4: X=0.84200000 Y=0.22500000 Z=0.12300000
      -4: X=0.59200000 Y=0.27500000 Z=0.37300000
      -4: X=0.40800000 Y=0.22500000 Z=0.12700000
      -4: X=0.84200000 Y=0.02500000 Z=0.12700000
      -4: X=0.65800000 Y=0.97500000 Z=0.37300000
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=0.12500000 Y=0.12500000 Z=0.50500000
          MULT= 4          ISPLIT=15
      -5: X=0.87500000 Y=0.87500000 Z=0.49500000
      -5: X=0.87500000 Y=0.37500000 Z=0.75500000
      -5: X=0.12500000 Y=0.12500000 Z=0.74500000
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=0.12500000 Y=0.12500000 Z=0.00800000
          MULT= 4          ISPLIT=15
      -6: X=0.87500000 Y=0.87500000 Z=0.99200000
      -6: X=0.87500000 Y=0.37500000 Z=0.25800000
      -6: X=0.12500000 Y=0.12500000 Z=0.24200000
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=0.12500000 Y=0.32500000 Z=0.12500000
          MULT= 4          ISPLIT=15
      -7: X=0.87500000 Y=0.67500000 Z=0.87500000
      -7: X=0.37500000 Y=0.57500000 Z=0.87500000
      -7: X=0.12500000 Y=0.92500000 Z=0.12500000
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