P   LATTICE,NONEQUIV.ATOMS   3   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.376254 18.580354  9.767616 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24300000 Y=0.38500000 Z=0.03600000
          MULT= 8          ISPLIT= 8
      -1: X=0.75700000 Y=0.61500000 Z=0.96400000
      -1: X=0.74300000 Y=0.38500000 Z=0.46400000
      -1: X=0.25700000 Y=0.61500000 Z=0.53600000
      -1: X=0.25700000 Y=0.88500000 Z=0.03600000
      -1: X=0.74300000 Y=0.11500000 Z=0.96400000
      -1: X=0.75700000 Y=0.88500000 Z=0.46400000
      -1: X=0.24300000 Y=0.11500000 Z=0.53600000
Hf         NPT=  781  R0=.000005000 RMT= 2.04        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36200000 Y=0.29400000 Z=0.38200000
          MULT= 8          ISPLIT= 8
      -2: X=0.63800000 Y=0.70600000 Z=0.61800000
      -2: X=0.86200000 Y=0.29400000 Z=0.11800000
      -2: X=0.13800000 Y=0.70600000 Z=0.88200000
      -2: X=0.13800000 Y=0.79400000 Z=0.38200000
      -2: X=0.86200000 Y=0.20600000 Z=0.61800000
      -2: X=0.63800000 Y=0.79400000 Z=0.11800000
      -2: X=0.36200000 Y=0.20600000 Z=0.88200000
O          NPT=  781  R0=.000100000 RMT= 1.75        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=0.00400000 Y=0.02500000 Z=0.23800000
          MULT= 8          ISPLIT= 8
      -3: X=0.99600000 Y=0.97500000 Z=0.76200000
      -3: X=0.50400000 Y=0.02500000 Z=0.26200000
      -3: X=0.49600000 Y=0.97500000 Z=0.73800000
      -3: X=0.49600000 Y=0.52500000 Z=0.23800000
      -3: X=0.50400000 Y=0.47500000 Z=0.76200000
      -3: X=0.99600000 Y=0.52500000 Z=0.26200000
      -3: X=0.00400000 Y=0.47500000 Z=0.73800000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000