F   LATTICE,NONEQUIV.ATOMS   3   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.297453 16.081569 40.440139 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.87500000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.12500000 Y=0.29170000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.87500000 Y=0.70830000 Z=0.00000000
      -2: X=0.37500000 Y=0.54170000 Z=0.00000000
      -2: X=0.12500000 Y=0.95830000 Z=0.00000000
      -2: X=0.87500000 Y=0.54170000 Z=0.25000000
      -2: X=0.12500000 Y=0.95830000 Z=0.25000000
      -2: X=0.12500000 Y=0.29170000 Z=0.25000000
      -2: X=0.37500000 Y=0.70830000 Z=0.25000000
C          NPT=  781  R0=.000100000 RMT= 1.33        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37500000 Y=0.04170000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.62500000 Y=0.95830000 Z=0.00000000
      -3: X=0.62500000 Y=0.29170000 Z=0.00000000
      -3: X=0.87500000 Y=0.20830000 Z=0.00000000
      -3: X=0.62500000 Y=0.29170000 Z=0.25000000
      -3: X=0.37500000 Y=0.20830000 Z=0.25000000
      -3: X=0.87500000 Y=0.04170000 Z=0.25000000
      -3: X=0.62500000 Y=0.95830000 Z=0.25000000
C          NPT=  781  R0=.000100000 RMT= 1.33        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000