P   LATTICE,NONEQUIV.ATOMS  12   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.430138 20.465356 14.468499 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.70926000 Y=0.24801000 Z=0.17347000
          MULT= 4          ISPLIT= 8
      -1: X=0.29074000 Y=0.75199000 Z=0.67347000
      -1: X=0.79074000 Y=0.24801000 Z=0.67347000
      -1: X=0.20926000 Y=0.75199000 Z=0.17347000
Te         NPT=  781  R0=.000010000 RMT= 1.90        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23519000 Y=0.28479000 Z=0.26663000
          MULT= 4          ISPLIT= 8
      -2: X=0.76481000 Y=0.71521000 Z=0.76663000
      -2: X=0.26481000 Y=0.28479000 Z=0.76663000
      -2: X=0.73519000 Y=0.71521000 Z=0.26663000
Te         NPT=  781  R0=.000010000 RMT= 1.90        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00402000 Y=0.48738000 Z=0.02499000
          MULT= 4          ISPLIT= 8
      -3: X=0.99598000 Y=0.51262000 Z=0.52499000
      -3: X=0.49598000 Y=0.48738000 Z=0.52499000
      -3: X=0.50402000 Y=0.51262000 Z=0.02499000
In         NPT=  781  R0=.000010000 RMT= 2.16        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53033000 Y=0.00024000 Z=0.51964000
          MULT= 4          ISPLIT= 8
      -4: X=0.46967000 Y=0.99976000 Z=0.01964000
      -4: X=0.96967000 Y=0.00024000 Z=0.01964000
      -4: X=0.03033000 Y=0.99976000 Z=0.51964000
Nb         NPT=  781  R0=.000010000 RMT= 1.79        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.58220000 Y=0.17260000 Z=0.59230000
          MULT= 4          ISPLIT= 8
      -5: X=0.41780000 Y=0.82740000 Z=0.09230000
      -5: X=0.91780000 Y=0.17260000 Z=0.09230000
      -5: X=0.08220000 Y=0.82740000 Z=0.59230000
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  -6: X=0.52000000 Y=0.03700000 Z=0.28360000
          MULT= 4          ISPLIT= 8
      -6: X=0.48000000 Y=0.96300000 Z=0.78360000
      -6: X=0.98000000 Y=0.03700000 Z=0.78360000
      -6: X=0.02000000 Y=0.96300000 Z=0.28360000
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  -7: X=0.24460000 Y=0.05190000 Z=0.03350000
          MULT= 4          ISPLIT= 8
      -7: X=0.75540000 Y=0.94810000 Z=0.53350000
      -7: X=0.25540000 Y=0.05190000 Z=0.53350000
      -7: X=0.74460000 Y=0.94810000 Z=0.03350000
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  -8: X=0.43220000 Y=0.82310000 Z=0.49830000
          MULT= 4          ISPLIT= 8
      -8: X=0.56780000 Y=0.17690000 Z=0.99830000
      -8: X=0.06780000 Y=0.82310000 Z=0.99830000
      -8: X=0.93220000 Y=0.17690000 Z=0.49830000
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  -9: X=0.25180000 Y=0.60350000 Z=0.04340000
          MULT= 4          ISPLIT= 8
      -9: X=0.74820000 Y=0.39650000 Z=0.54340000
      -9: X=0.24820000 Y=0.60350000 Z=0.54340000
      -9: X=0.75180000 Y=0.39650000 Z=0.04340000
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 -10: X=0.44560000 Y=0.37460000 Z=0.22600000
          MULT= 4          ISPLIT= 8
     -10: X=0.55440000 Y=0.62540000 Z=0.72600000
     -10: X=0.05440000 Y=0.37460000 Z=0.72600000
     -10: X=0.94560000 Y=0.62540000 Z=0.22600000
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 -11: X=0.18730000 Y=0.33740000 Z=0.01470000
          MULT= 4          ISPLIT= 8
     -11: X=0.81270000 Y=0.66260000 Z=0.51470000
     -11: X=0.31270000 Y=0.33740000 Z=0.51470000
     -11: X=0.68730000 Y=0.66260000 Z=0.01470000
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 -12: X=0.06340000 Y=0.40840000 Z=0.29700000
          MULT= 4          ISPLIT= 8
     -12: X=0.93660000 Y=0.59160000 Z=0.79700000
     -12: X=0.43660000 Y=0.40840000 Z=0.79700000
     -12: X=0.56340000 Y=0.59160000 Z=0.29700000
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