H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.831240 12.831240 18.651597 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.88        Z:  22.00000              
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=0.05900000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.94100000
      -2: X=0.66666666 Y=0.33333333 Z=0.55900000
      -2: X=0.33333334 Y=0.66666667 Z=0.44100000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37700000 Y=0.12900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.62300000 Y=0.87100000 Z=0.75000000
      -3: X=0.24800000 Y=0.37700000 Z=0.75000000
      -3: X=0.75200000 Y=0.62300000 Z=0.25000000
      -3: X=0.87100000 Y=0.24800000 Z=0.25000000
      -3: X=0.12900000 Y=0.75200000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.41        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=0.59600000 Y=0.08300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.40400000 Y=0.91700000 Z=0.75000000
      -4: X=0.51300000 Y=0.59600000 Z=0.75000000
      -4: X=0.48700000 Y=0.40400000 Z=0.25000000
      -4: X=0.91700000 Y=0.51300000 Z=0.25000000
      -4: X=0.08300000 Y=0.48700000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.24200000 Y=0.02000000 Z=0.10900000
          MULT=12          ISPLIT= 8
      -5: X=0.75800000 Y=0.98000000 Z=0.89100000
      -5: X=0.22200000 Y=0.24200000 Z=0.60900000
      -5: X=0.77800000 Y=0.75800000 Z=0.39100000
      -5: X=0.98000000 Y=0.22200000 Z=0.10900000
      -5: X=0.02000000 Y=0.77800000 Z=0.89100000
      -5: X=0.75800000 Y=0.98000000 Z=0.60900000
      -5: X=0.24200000 Y=0.02000000 Z=0.39100000
      -5: X=0.77800000 Y=0.75800000 Z=0.10900000
      -5: X=0.22200000 Y=0.24200000 Z=0.89100000
      -5: X=0.02000000 Y=0.77800000 Z=0.60900000
      -5: X=0.98000000 Y=0.22200000 Z=0.39100000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000