B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.605057  8.605057 19.138579 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Ti         NPT=  781  R0=.000050000 RMT= 1.95        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=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
Si         NPT=  781  R0=.000100000 RMT= 1.44        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=0.26510000 Y=0.07190000 Z=0.04710000
          MULT= 8          ISPLIT= 8
      -3: X=0.73490000 Y=0.92810000 Z=0.95290000
      -3: X=0.17810000 Y=0.01510000 Z=0.79710000
      -3: X=0.32190000 Y=0.48490000 Z=0.70290000
      -3: X=0.73490000 Y=0.42810000 Z=0.04710000
      -3: X=0.26510000 Y=0.57190000 Z=0.95290000
      -3: X=0.32190000 Y=0.98490000 Z=0.29710000
      -3: X=0.17810000 Y=0.51510000 Z=0.20290000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000