H   LATTICE,NONEQUIV.ATOMS   8  189 P-62m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.971630 16.971630 14.815453 90.000000 90.000000120.000000                   
ATOM  -1: X=0.59300000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.40700000 Y=0.40700000 Z=0.00000000
      -1: X=0.00000000 Y=0.59300000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.23800000 Y=0.00000000 Z=0.26100000
          MULT= 6          ISPLIT= 8
      -2: X=0.76200000 Y=0.76200000 Z=0.73900000
      -2: X=0.00000000 Y=0.23800000 Z=0.26100000
      -2: X=0.23800000 Y=0.00000000 Z=0.73900000
      -2: X=0.76200000 Y=0.76200000 Z=0.26100000
      -2: X=0.00000000 Y=0.23800000 Z=0.73900000
Nb         NPT=  781  R0=.000010000 RMT= 1.87        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.29700000
          MULT= 4          ISPLIT= 4
      -3: X=0.33333334 Y=0.66666667 Z=0.70300000
      -3: X=0.66666667 Y=0.33333333 Z=0.29700000
      -3: X=0.66666666 Y=0.33333333 Z=0.70300000
Si         NPT=  781  R0=.000100000 RMT= 1.38        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  -4: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27300000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -5: X=0.72700000 Y=0.72700000 Z=0.50000000
      -5: X=0.00000000 Y=0.27300000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.81900000 Y=0.00000000 Z=0.26400000
          MULT= 6          ISPLIT= 8
      -6: X=0.18100000 Y=0.18100000 Z=0.73600000
      -6: X=0.00000000 Y=0.81900000 Z=0.26400000
      -6: X=0.81900000 Y=0.00000000 Z=0.73600000
      -6: X=0.18100000 Y=0.18100000 Z=0.26400000
      -6: X=0.00000000 Y=0.81900000 Z=0.73600000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.18300000 Y=0.48900000 Z=0.21600000
          MULT=12          ISPLIT= 8
      -7: X=0.30600000 Y=0.81700000 Z=0.78400000
      -7: X=0.48900000 Y=0.18300000 Z=0.21600000
      -7: X=0.51100000 Y=0.69400000 Z=0.21600000
      -7: X=0.69400000 Y=0.51100000 Z=0.78400000
      -7: X=0.18300000 Y=0.48900000 Z=0.78400000
      -7: X=0.81700000 Y=0.30600000 Z=0.21600000
      -7: X=0.30600000 Y=0.81700000 Z=0.21600000
      -7: X=0.48900000 Y=0.18300000 Z=0.78400000
      -7: X=0.51100000 Y=0.69400000 Z=0.78400000
      -7: X=0.69400000 Y=0.51100000 Z=0.21600000
      -7: X=0.81700000 Y=0.30600000 Z=0.78400000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.22700000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -8: X=0.77300000 Y=0.77300000 Z=0.00000000
      -8: X=0.00000000 Y=0.22700000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000