F   LATTICE,NONEQUIV.ATOMS   5   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.489750 28.674704 36.513288 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.49934000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.50066000
      -1: X=0.87500000 Y=0.37500000 Z=0.74934000
      -1: X=0.12500000 Y=0.12500000 Z=0.75066000
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=0.12500000 Y=0.12500000 Z=0.00066000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.99934000
      -2: X=0.87500000 Y=0.37500000 Z=0.25066000
      -2: X=0.12500000 Y=0.12500000 Z=0.24934000
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=0.46795000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.53205000 Z=0.87500000
      -3: X=0.37500000 Y=0.71795000 Z=0.87500000
      -3: X=0.12500000 Y=0.78205000 Z=0.12500000
Si         NPT=  781  R0=.000100000 RMT= 2.24        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.38901000 Y=0.04666000 Z=0.12893000
          MULT= 8          ISPLIT= 8
      -4: X=0.61099000 Y=0.95334000 Z=0.87107000
      -4: X=0.63901000 Y=0.29666000 Z=0.87107000
      -4: X=0.86099000 Y=0.20334000 Z=0.12893000
      -4: X=0.61099000 Y=0.29666000 Z=0.37893000
      -4: X=0.38901000 Y=0.20334000 Z=0.12107000
      -4: X=0.86099000 Y=0.04666000 Z=0.12107000
      -4: X=0.63901000 Y=0.95334000 Z=0.37893000
Si         NPT=  781  R0=.000100000 RMT= 2.24        Z:  14.00000              
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=0.29060000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -5: X=0.87500000 Y=0.70940000 Z=0.87500000
      -5: X=0.37500000 Y=0.54060000 Z=0.87500000
      -5: X=0.12500000 Y=0.95940000 Z=0.12500000
Li         NPT=  781  R0=.000100000 RMT= 2.43        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000