F   LATTICE,NONEQUIV.ATOMS   3  216 F-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.012319 14.012319 14.012319 90.000000 90.000000 90.000000                   
ATOM   1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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
S          NPT=  781  R0=.000100000 RMT= 1.35        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=0.11500000 Y=0.11500000 Z=0.11500000
          MULT= 4          ISPLIT= 4
      -3: X=0.11500000 Y=0.88500000 Z=0.88500000
      -3: X=0.88500000 Y=0.88500000 Z=0.11500000
      -3: X=0.88500000 Y=0.11500000 Z=0.88500000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503