H   LATTICE,NONEQUIV.ATOMS   6  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.661225  9.661225 23.408227 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.41        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=0.33333333 Y=0.66666667 Z=0.09510000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.90490000
      -2: X=0.66666666 Y=0.33333333 Z=0.59510000
      -2: X=0.33333334 Y=0.66666667 Z=0.40490000
Ba         NPT=  781  R0=.000010000 RMT= 2.41        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.49        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=0.64330000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.35670000
      -4: X=0.66666666 Y=0.33333333 Z=0.14330000
      -4: X=0.33333334 Y=0.66666667 Z=0.85670000
Si         NPT=  781  R0=.000100000 RMT= 1.49        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=0.52790000 Y=0.05580000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.47210000 Y=0.94420000 Z=0.75000000
      -5: X=0.47210000 Y=0.52790000 Z=0.75000000
      -5: X=0.52790000 Y=0.47210000 Z=0.25000000
      -5: X=0.05580000 Y=0.52790000 Z=0.75000000
      -5: X=0.94420000 Y=0.47210000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.73        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  -6: X=0.16240000 Y=0.32480000 Z=0.57820000
          MULT=12          ISPLIT= 8
      -6: X=0.83760000 Y=0.67520000 Z=0.42180000
      -6: X=0.83760000 Y=0.16240000 Z=0.07820000
      -6: X=0.16240000 Y=0.83760000 Z=0.92180000
      -6: X=0.32480000 Y=0.16240000 Z=0.07820000
      -6: X=0.67520000 Y=0.83760000 Z=0.92180000
      -6: X=0.67520000 Y=0.83760000 Z=0.57820000
      -6: X=0.32480000 Y=0.16240000 Z=0.42180000
      -6: X=0.83760000 Y=0.67520000 Z=0.07820000
      -6: X=0.16240000 Y=0.32480000 Z=0.92180000
      -6: X=0.16240000 Y=0.83760000 Z=0.57820000
      -6: X=0.83760000 Y=0.16240000 Z=0.42180000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000