F   LATTICE,NONEQUIV.ATOMS   6  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 30.441598 30.441598 30.441598 90.000000 90.000000 90.000000                   
ATOM   1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.37100000 Y=0.37100000 Z=0.37100000
          MULT= 8          ISPLIT= 4
      -3: X=0.62900000 Y=0.62900000 Z=0.62900000
      -3: X=0.62900000 Y=0.37100000 Z=0.37100000
      -3: X=0.37100000 Y=0.62900000 Z=0.62900000
      -3: X=0.62900000 Y=0.62900000 Z=0.37100000
      -3: X=0.37100000 Y=0.37100000 Z=0.62900000
      -3: X=0.37100000 Y=0.62900000 Z=0.37100000
      -3: X=0.62900000 Y=0.37100000 Z=0.62900000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.00000000 Y=0.16640000 Z=0.16640000
          MULT=12          ISPLIT= 8
      -4: X=0.00000000 Y=0.83360000 Z=0.83360000
      -4: X=0.83360000 Y=0.00000000 Z=0.16640000
      -4: X=0.16640000 Y=0.00000000 Z=0.83360000
      -4: X=0.16640000 Y=0.00000000 Z=0.16640000
      -4: X=0.83360000 Y=0.00000000 Z=0.83360000
      -4: X=0.00000000 Y=0.83360000 Z=0.16640000
      -4: X=0.00000000 Y=0.16640000 Z=0.83360000
      -4: X=0.16640000 Y=0.83360000 Z=0.00000000
      -4: X=0.83360000 Y=0.16640000 Z=0.00000000
      -4: X=0.16640000 Y=0.16640000 Z=0.00000000
      -4: X=0.83360000 Y=0.83360000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.28250000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -5: X=0.71750000 Y=0.00000000 Z=0.00000000
      -5: X=0.00000000 Y=0.28250000 Z=0.00000000
      -5: X=0.00000000 Y=0.71750000 Z=0.00000000
      -5: X=0.00000000 Y=0.00000000 Z=0.28250000
      -5: X=0.00000000 Y=0.00000000 Z=0.71750000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.19130000 Y=0.19130000 Z=0.19130000
          MULT= 8          ISPLIT= 4
      -6: X=0.80870000 Y=0.80870000 Z=0.80870000
      -6: X=0.80870000 Y=0.19130000 Z=0.19130000
      -6: X=0.19130000 Y=0.80870000 Z=0.80870000
      -6: X=0.80870000 Y=0.80870000 Z=0.19130000
      -6: X=0.19130000 Y=0.19130000 Z=0.80870000
      -6: X=0.19130000 Y=0.80870000 Z=0.19130000
      -6: X=0.80870000 Y=0.19130000 Z=0.80870000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  31.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503