H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.351001 15.351001 13.324459 90.000000 90.000000120.000000                   
ATOM  -1: X=0.04794000 Y=0.34277000 Z=0.07692000
          MULT=12          ISPLIT= 8
      -1: X=0.95206000 Y=0.65723000 Z=0.92308000
      -1: X=0.65723000 Y=0.70517000 Z=0.07692000
      -1: X=0.34277000 Y=0.29483000 Z=0.92308000
      -1: X=0.34277000 Y=0.04794000 Z=0.57692000
      -1: X=0.65723000 Y=0.95206000 Z=0.42308000
      -1: X=0.29483000 Y=0.95206000 Z=0.07692000
      -1: X=0.70517000 Y=0.04794000 Z=0.92308000
      -1: X=0.95206000 Y=0.29483000 Z=0.57692000
      -1: X=0.04794000 Y=0.70517000 Z=0.42308000
      -1: X=0.70517000 Y=0.65723000 Z=0.57692000
      -1: X=0.29483000 Y=0.34277000 Z=0.42308000
Si         NPT=  781  R0=.000100000 RMT= 1.39        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=0.30501000 Y=0.15503000 Z=0.10403000
          MULT=12          ISPLIT= 8
      -2: X=0.69499000 Y=0.84497000 Z=0.89597000
      -2: X=0.84497000 Y=0.14998000 Z=0.10403000
      -2: X=0.15503000 Y=0.85002000 Z=0.89597000
      -2: X=0.15503000 Y=0.30501000 Z=0.60403000
      -2: X=0.84497000 Y=0.69499000 Z=0.39597000
      -2: X=0.85002000 Y=0.69499000 Z=0.10403000
      -2: X=0.14998000 Y=0.30501000 Z=0.89597000
      -2: X=0.69499000 Y=0.85002000 Z=0.60403000
      -2: X=0.30501000 Y=0.14998000 Z=0.39597000
      -2: X=0.14998000 Y=0.84497000 Z=0.60403000
      -2: X=0.85002000 Y=0.15503000 Z=0.39597000
O          NPT=  781  R0=.000100000 RMT= 1.62        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  -3: X=0.20140000 Y=0.79860000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.79860000 Y=0.20140000 Z=0.75000000
      -3: X=0.20140000 Y=0.40280000 Z=0.25000000
      -3: X=0.79860000 Y=0.59720000 Z=0.75000000
      -3: X=0.59720000 Y=0.79860000 Z=0.25000000
      -3: X=0.40280000 Y=0.20140000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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  -4: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.00000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000