P   LATTICE,NONEQUIV.ATOMS   5   54 Pcca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.699003  8.085382 16.143930 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11712000 Y=0.23173000 Z=0.11358000
          MULT= 8          ISPLIT= 8
      -1: X=0.88288000 Y=0.76827000 Z=0.88642000
      -1: X=0.61712000 Y=0.23173000 Z=0.88642000
      -1: X=0.38288000 Y=0.76827000 Z=0.11358000
      -1: X=0.38288000 Y=0.23173000 Z=0.61358000
      -1: X=0.61712000 Y=0.76827000 Z=0.38642000
      -1: X=0.88288000 Y=0.23173000 Z=0.38642000
      -1: X=0.11712000 Y=0.76827000 Z=0.61358000
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=0.25000000 Y=0.00000000 Z=0.20785000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.79215000
      -2: X=0.25000000 Y=0.00000000 Z=0.70785000
      -2: X=0.75000000 Y=0.00000000 Z=0.29215000
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=0.00000000 Y=0.40180000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.59820000 Z=0.75000000
      -3: X=0.50000000 Y=0.40180000 Z=0.75000000
      -3: X=0.50000000 Y=0.59820000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.00000000
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.00000000 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
ATOM  -5: X=0.25000000 Y=0.50000000 Z=0.02873000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.50000000 Z=0.97127000
      -5: X=0.25000000 Y=0.50000000 Z=0.52873000
      -5: X=0.75000000 Y=0.50000000 Z=0.47127000
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