H   LATTICE,NONEQUIV.ATOMS   6  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.761871 16.761871  9.580911 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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  -2: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 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  -3: X=0.33333333 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.66666667 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.33333333 Z=0.00000000
      -3: X=0.00000000 Y=0.66666667 Z=0.00000000
      -3: X=0.66666667 Y=0.66666667 Z=0.00000000
      -3: X=0.33333333 Y=0.33333333 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 1.97        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.09000000 Y=0.91000000 Z=0.24000000
          MULT= 6          ISPLIT= 8
      -4: X=0.91000000 Y=0.09000000 Z=0.76000000
      -4: X=0.09000000 Y=0.18000000 Z=0.24000000
      -4: X=0.91000000 Y=0.82000000 Z=0.76000000
      -4: X=0.82000000 Y=0.91000000 Z=0.24000000
      -4: X=0.18000000 Y=0.09000000 Z=0.76000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.77000000 Y=0.23000000 Z=0.24000000
          MULT= 6          ISPLIT= 8
      -5: X=0.23000000 Y=0.77000000 Z=0.76000000
      -5: X=0.77000000 Y=0.54000000 Z=0.24000000
      -5: X=0.23000000 Y=0.46000000 Z=0.76000000
      -5: X=0.46000000 Y=0.23000000 Z=0.24000000
      -5: X=0.54000000 Y=0.77000000 Z=0.76000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.41000000 Y=0.59000000 Z=0.24000000
          MULT= 6          ISPLIT= 8
      -6: X=0.59000000 Y=0.41000000 Z=0.76000000
      -6: X=0.41000000 Y=0.82000000 Z=0.24000000
      -6: X=0.59000000 Y=0.18000000 Z=0.76000000
      -6: X=0.18000000 Y=0.59000000 Z=0.24000000
      -6: X=0.82000000 Y=0.41000000 Z=0.76000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000