F   LATTICE,NONEQUIV.ATOMS   5  225 Fm-3m   
MODE OF CALC=RELA unit=bohr
 29.937041 29.937041 29.937041 90.000000 90.000000 90.000000
ATOM  -1: X=0.11640000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.88360000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.11640000 Z=0.00000000
      -1: X=0.00000000 Y=0.88360000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.11640000
      -1: X=0.00000000 Y=0.00000000 Z=0.88360000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10730000 Y=0.10730000 Z=0.10730000
          MULT= 8          ISPLIT=15
      -2: X=0.89270000 Y=0.89270000 Z=0.89270000
      -2: X=0.89270000 Y=0.10730000 Z=0.10730000
      -2: X=0.10730000 Y=0.89270000 Z=0.89270000
      -2: X=0.89270000 Y=0.89270000 Z=0.10730000
      -2: X=0.10730000 Y=0.10730000 Z=0.89270000
      -2: X=0.10730000 Y=0.89270000 Z=0.10730000
      -2: X=0.89270000 Y=0.10730000 Z=0.89270000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29180000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.70820000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.29180000 Z=0.00000000
      -3: X=0.00000000 Y=0.70820000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.29180000
      -3: X=0.00000000 Y=0.00000000 Z=0.70820000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.75000000 Y=0.75000000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.75000000 Y=0.00000000 Z=0.25000000
      -5: X=0.25000000 Y=0.00000000 Z=0.25000000
      -5: X=0.00000000 Y=0.75000000 Z=0.25000000
      -5: X=0.25000000 Y=0.75000000 Z=0.00000000
      -5: X=0.25000000 Y=0.25000000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  55.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000