F   LATTICE,NONEQUIV.ATOMS   4   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.064323 34.461046 11.621816 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.50000000
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=0.24532000 Y=0.08126000 Z=0.00578000
          MULT= 4          ISPLIT= 8
      -2: X=0.75468000 Y=0.91874000 Z=0.00578000
      -2: X=0.00468000 Y=0.33126000 Z=0.25578000
      -2: X=0.49532000 Y=0.16874000 Z=0.25578000
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  -3: X=0.15330000 Y=0.07610000 Z=0.52140000
          MULT= 4          ISPLIT= 8
      -3: X=0.84670000 Y=0.92390000 Z=0.52140000
      -3: X=0.09670000 Y=0.32610000 Z=0.77140000
      -3: X=0.40330000 Y=0.17390000 Z=0.77140000
P          NPT=  781  R0=.000100000 RMT= 2.09        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07820000 Y=0.50240000 Z=0.24650000
          MULT= 4          ISPLIT= 8
      -4: X=0.92180000 Y=0.49760000 Z=0.24650000
      -4: X=0.17180000 Y=0.75240000 Z=0.49650000
      -4: X=0.32820000 Y=0.74760000 Z=0.49650000
P          NPT=  781  R0=.000100000 RMT= 2.09        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000