H   LATTICE,NONEQUIV.ATOMS   7  190 P-62c                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.030212 17.030212 15.168832 90.000000 90.000000120.000000                   
ATOM  -1: X=0.76260000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.23740000 Y=0.23740000 Z=0.50000000
      -1: X=0.00000000 Y=0.76260000 Z=0.50000000
      -1: X=0.00000000 Y=0.76260000 Z=0.00000000
      -1: X=0.76260000 Y=0.00000000 Z=0.50000000
      -1: X=0.23740000 Y=0.23740000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 1.90        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.41690000 Y=0.03230000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.61540000 Y=0.58310000 Z=0.25000000
      -2: X=0.03230000 Y=0.41690000 Z=0.75000000
      -2: X=0.96770000 Y=0.38460000 Z=0.25000000
      -2: X=0.38460000 Y=0.96770000 Z=0.75000000
      -2: X=0.58310000 Y=0.61540000 Z=0.75000000
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=0.33333333 Y=0.66666667 Z=0.04730000
          MULT= 4          ISPLIT= 4
      -3: X=0.33333334 Y=0.66666667 Z=0.45270000
      -3: X=0.66666667 Y=0.33333333 Z=0.54730000
      -3: X=0.66666666 Y=0.33333333 Z=0.95270000
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=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.25100000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.00900000 Y=0.75800000 Z=0.25000000
      -5: X=0.25100000 Y=0.24200000 Z=0.75000000
      -5: X=0.74900000 Y=0.99100000 Z=0.25000000
      -5: X=0.99100000 Y=0.74900000 Z=0.75000000
      -5: X=0.75800000 Y=0.00900000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -6: X=0.17800000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.82200000 Y=0.82200000 Z=0.50000000
      -6: X=0.00000000 Y=0.17800000 Z=0.50000000
      -6: X=0.00000000 Y=0.17800000 Z=0.00000000
      -6: X=0.17800000 Y=0.00000000 Z=0.50000000
      -6: X=0.82200000 Y=0.82200000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -7: X=0.48600000 Y=0.31000000 Z=0.01700000
          MULT=12          ISPLIT= 8
      -7: X=0.82400000 Y=0.51400000 Z=0.48300000
      -7: X=0.31000000 Y=0.48600000 Z=0.51700000
      -7: X=0.69000000 Y=0.17600000 Z=0.01700000
      -7: X=0.17600000 Y=0.69000000 Z=0.98300000
      -7: X=0.48600000 Y=0.31000000 Z=0.48300000
      -7: X=0.51400000 Y=0.82400000 Z=0.51700000
      -7: X=0.82400000 Y=0.51400000 Z=0.01700000
      -7: X=0.31000000 Y=0.48600000 Z=0.98300000
      -7: X=0.69000000 Y=0.17600000 Z=0.48300000
      -7: X=0.17600000 Y=0.69000000 Z=0.51700000
      -7: X=0.51400000 Y=0.82400000 Z=0.98300000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000