P   LATTICE,NONEQUIV.ATOMS   8   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.714843 12.833130 21.333118 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.66880000 Y=0.22960000 Z=0.34150000
          MULT= 4          ISPLIT= 8
      -1: X=0.33120000 Y=0.77040000 Z=0.84150000
      -1: X=0.83120000 Y=0.22960000 Z=0.84150000
      -1: X=0.16880000 Y=0.77040000 Z=0.34150000
P          NPT=  781  R0=.000100000 RMT= 1.81        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36780000 Y=0.18240000 Z=0.14780000
          MULT= 4          ISPLIT= 8
      -2: X=0.63220000 Y=0.81760000 Z=0.64780000
      -2: X=0.13220000 Y=0.18240000 Z=0.64780000
      -2: X=0.86780000 Y=0.81760000 Z=0.14780000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.13184000 Y=0.07707000 Z=0.31343000
          MULT= 4          ISPLIT= 8
      -3: X=0.86816000 Y=0.92293000 Z=0.81343000
      -3: X=0.36816000 Y=0.07707000 Z=0.81343000
      -3: X=0.63184000 Y=0.92293000 Z=0.31343000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.62664000 Y=0.06683000 Z=0.03757000
          MULT= 4          ISPLIT= 8
      -4: X=0.37336000 Y=0.93317000 Z=0.53757000
      -4: X=0.87336000 Y=0.06683000 Z=0.53757000
      -4: X=0.12664000 Y=0.93317000 Z=0.03757000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13332000 Y=0.56231000 Z=0.20358000
          MULT= 4          ISPLIT= 8
      -5: X=0.86668000 Y=0.43769000 Z=0.70358000
      -5: X=0.36668000 Y=0.56231000 Z=0.70358000
      -5: X=0.63332000 Y=0.43769000 Z=0.20358000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.35997000 Y=0.73152000 Z=0.36916000
          MULT= 4          ISPLIT= 8
      -6: X=0.64003000 Y=0.26848000 Z=0.86916000
      -6: X=0.14003000 Y=0.73152000 Z=0.86916000
      -6: X=0.85997000 Y=0.26848000 Z=0.36916000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.39499000 Y=0.25308000 Z=0.45569000
          MULT= 4          ISPLIT= 8
      -7: X=0.60501000 Y=0.74692000 Z=0.95569000
      -7: X=0.10501000 Y=0.25308000 Z=0.95569000
      -7: X=0.89499000 Y=0.74692000 Z=0.45569000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.41496000 Y=0.67390000 Z=0.01556000
          MULT= 4          ISPLIT= 8
      -8: X=0.58504000 Y=0.32610000 Z=0.51556000
      -8: X=0.08504000 Y=0.67390000 Z=0.51556000
      -8: X=0.91496000 Y=0.32610000 Z=0.01556000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000