P   LATTICE,NONEQUIV.ATOMS   6   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.862928 11.299050 15.962139 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00215000 Y=0.06378000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.99785000 Y=0.93622000 Z=0.50000000
      -1: X=0.49785000 Y=0.06378000 Z=0.50000000
      -1: X=0.50215000 Y=0.93622000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 1.78        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.28320000 Y=0.46900000 Z=0.21780000
          MULT= 4          ISPLIT= 8
      -2: X=0.71680000 Y=0.53100000 Z=0.71780000
      -2: X=0.21680000 Y=0.46900000 Z=0.71780000
      -2: X=0.78320000 Y=0.53100000 Z=0.21780000
K          NPT=  781  R0=.000050000 RMT= 2.43        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07560000 Y=0.63720000 Z=0.42190000
          MULT= 4          ISPLIT= 8
      -3: X=0.92440000 Y=0.36280000 Z=0.92190000
      -3: X=0.42440000 Y=0.63720000 Z=0.92190000
      -3: X=0.57560000 Y=0.36280000 Z=0.42190000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.57730000 Y=0.23310000 Z=0.07410000
          MULT= 4          ISPLIT= 8
      -4: X=0.42270000 Y=0.76690000 Z=0.57410000
      -4: X=0.92270000 Y=0.23310000 Z=0.57410000
      -4: X=0.07730000 Y=0.76690000 Z=0.07410000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.30090000 Y=0.15700000 Z=0.47130000
          MULT= 4          ISPLIT= 8
      -5: X=0.69910000 Y=0.84300000 Z=0.97130000
      -5: X=0.19910000 Y=0.15700000 Z=0.97130000
      -5: X=0.80090000 Y=0.84300000 Z=0.47130000
O          NPT=  781  R0=.000100000 RMT= 1.53        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  -6: X=0.53720000 Y=0.15300000 Z=0.69660000
          MULT= 4          ISPLIT= 8
      -6: X=0.46280000 Y=0.84700000 Z=0.19660000
      -6: X=0.96280000 Y=0.15300000 Z=0.19660000
      -6: X=0.03720000 Y=0.84700000 Z=0.69660000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000