F   LATTICE,NONEQUIV.ATOMS   7   70 Fddd    
MODE OF CALC=RELA unit=bohr
 13.757206 23.848344 30.273413 90.000000 90.000000 90.000000
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -1: X=0.87500000 Y=0.87500000 Z=0.37500000
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=0.12500000
          MULT= 2          ISPLIT=15
      -2: X=0.87500000 Y=0.87500000 Z=0.87500000
Ti         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  22.00000
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=0.36000000
          MULT= 4          ISPLIT=15
      -3: X=0.87500000 Y=0.87500000 Z=0.64000000
      -3: X=0.87500000 Y=0.37500000 Z=0.61000000
      -3: X=0.12500000 Y=0.12500000 Z=0.89000000
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=0.32200000 Y=0.02400000 Z=0.12600000
          MULT= 8          ISPLIT=15
      -4: X=0.67800000 Y=0.97600000 Z=0.87400000
      -4: X=0.57200000 Y=0.27400000 Z=0.87400000
      -4: X=0.92800000 Y=0.22600000 Z=0.12600000
      -4: X=0.67800000 Y=0.27400000 Z=0.37600000
      -4: X=0.32200000 Y=0.22600000 Z=0.12400000
      -4: X=0.92800000 Y=0.02400000 Z=0.12400000
      -4: X=0.57200000 Y=0.97600000 Z=0.37600000
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=0.00300000
          MULT= 4          ISPLIT=15
      -5: X=0.87500000 Y=0.87500000 Z=0.99700000
      -5: X=0.87500000 Y=0.37500000 Z=0.25300000
      -5: X=0.12500000 Y=0.12500000 Z=0.24700000
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=0.51300000
          MULT= 4          ISPLIT=15
      -6: X=0.87500000 Y=0.87500000 Z=0.48700000
      -6: X=0.87500000 Y=0.37500000 Z=0.76300000
      -6: X=0.12500000 Y=0.12500000 Z=0.73700000
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=0.42700000 Z=0.12500000
          MULT= 4          ISPLIT=15
      -7: X=0.87500000 Y=0.57300000 Z=0.87500000
      -7: X=0.37500000 Y=0.67700000 Z=0.87500000
      -7: X=0.12500000 Y=0.82300000 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