F   LATTICE,NONEQUIV.ATOMS   5   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.004976 26.577108 55.796054 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33390000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.66610000 Y=0.87500000 Z=0.87500000
      -1: X=0.58390000 Y=0.37500000 Z=0.87500000
      -1: X=0.91610000 Y=0.12500000 Z=0.12500000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.14070000 Y=0.35600000 Z=0.03400000
          MULT= 8          ISPLIT= 8
      -2: X=0.85930000 Y=0.64400000 Z=0.96600000
      -2: X=0.39070000 Y=0.60600000 Z=0.96600000
      -2: X=0.10930000 Y=0.89400000 Z=0.03400000
      -2: X=0.85930000 Y=0.60600000 Z=0.28400000
      -2: X=0.14070000 Y=0.89400000 Z=0.21600000
      -2: X=0.10930000 Y=0.35600000 Z=0.21600000
      -2: X=0.39070000 Y=0.64400000 Z=0.28400000
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=0.12500000 Y=0.12500000 Z=0.54810000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.45190000
      -3: X=0.87500000 Y=0.37500000 Z=0.79810000
      -3: X=0.12500000 Y=0.12500000 Z=0.70190000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.12500000 Y=0.12500000 Z=0.37930000
          MULT= 4          ISPLIT= 8
      -4: X=0.87500000 Y=0.87500000 Z=0.62070000
      -4: X=0.87500000 Y=0.37500000 Z=0.62930000
      -4: X=0.12500000 Y=0.12500000 Z=0.87070000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.12500000 Y=0.12500000 Z=0.04080000
          MULT= 4          ISPLIT= 8
      -5: X=0.87500000 Y=0.87500000 Z=0.95920000
      -5: X=0.87500000 Y=0.37500000 Z=0.29080000
      -5: X=0.12500000 Y=0.12500000 Z=0.20920000
Si         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000