F   LATTICE,NONEQUIV.ATOMS   6  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.826595 27.826595 27.826595 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32480000 Y=0.32480000 Z=0.32480000
          MULT= 8          ISPLIT= 4
      -1: X=0.67520000 Y=0.67520000 Z=0.67520000
      -1: X=0.67520000 Y=0.32480000 Z=0.32480000
      -1: X=0.32480000 Y=0.67520000 Z=0.67520000
      -1: X=0.67520000 Y=0.67520000 Z=0.32480000
      -1: X=0.32480000 Y=0.32480000 Z=0.67520000
      -1: X=0.32480000 Y=0.67520000 Z=0.32480000
      -1: X=0.67520000 Y=0.32480000 Z=0.67520000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33540000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.66460000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.33540000 Z=0.00000000
      -3: X=0.00000000 Y=0.66460000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.33540000
      -3: X=0.00000000 Y=0.00000000 Z=0.66460000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.16440000 Z=0.16440000
          MULT=12          ISPLIT= 8
      -4: X=0.00000000 Y=0.83560000 Z=0.83560000
      -4: X=0.83560000 Y=0.00000000 Z=0.16440000
      -4: X=0.16440000 Y=0.00000000 Z=0.83560000
      -4: X=0.16440000 Y=0.00000000 Z=0.16440000
      -4: X=0.83560000 Y=0.00000000 Z=0.83560000
      -4: X=0.00000000 Y=0.83560000 Z=0.16440000
      -4: X=0.00000000 Y=0.16440000 Z=0.83560000
      -4: X=0.16440000 Y=0.83560000 Z=0.00000000
      -4: X=0.83560000 Y=0.16440000 Z=0.00000000
      -4: X=0.16440000 Y=0.16440000 Z=0.00000000
      -4: X=0.83560000 Y=0.83560000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM   5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
N          NPT=  781  R0=.000100000 RMT= 2.17        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=0.17480000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -6: X=0.82520000 Y=0.00000000 Z=0.00000000
      -6: X=0.00000000 Y=0.17480000 Z=0.00000000
      -6: X=0.00000000 Y=0.82520000 Z=0.00000000
      -6: X=0.00000000 Y=0.00000000 Z=0.17480000
      -6: X=0.00000000 Y=0.00000000 Z=0.82520000
N          NPT=  781  R0=.000100000 RMT= 2.17        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000