P   LATTICE,NONEQUIV.ATOMS   4   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.824875 12.073271  8.955412 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09890000 Y=0.62030000 Z=0.00190000
          MULT= 4          ISPLIT= 8
      -1: X=0.90110000 Y=0.37970000 Z=0.50190000
      -1: X=0.40110000 Y=0.62030000 Z=0.50190000
      -1: X=0.59890000 Y=0.37970000 Z=0.00190000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08170000 Y=0.11670000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.91830000 Y=0.88330000 Z=0.50000000
      -2: X=0.41830000 Y=0.11670000 Z=0.50000000
      -2: X=0.58170000 Y=0.88330000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 1.42        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=0.45970000 Y=0.65400000 Z=0.07270000
          MULT= 4          ISPLIT= 8
      -3: X=0.54030000 Y=0.34600000 Z=0.57270000
      -3: X=0.04030000 Y=0.65400000 Z=0.57270000
      -3: X=0.95970000 Y=0.34600000 Z=0.07270000
O          NPT=  781  R0=.000100000 RMT= 1.65        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  -4: X=0.39200000 Y=0.08440000 Z=0.12780000
          MULT= 4          ISPLIT= 8
      -4: X=0.60800000 Y=0.91560000 Z=0.62780000
      -4: X=0.10800000 Y=0.08440000 Z=0.62780000
      -4: X=0.89200000 Y=0.91560000 Z=0.12780000
N          NPT=  781  R0=.000100000 RMT= 1.71        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000