P   LATTICE,NONEQUIV.ATOMS   6   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.928167 26.076331 18.158378 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.33        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20346000 Y=0.11619000 Z=0.01911000
          MULT= 8          ISPLIT= 8
      -2: X=0.79654000 Y=0.88381000 Z=0.98089000
      -2: X=0.70346000 Y=0.11619000 Z=0.48089000
      -2: X=0.29654000 Y=0.88381000 Z=0.51911000
      -2: X=0.29654000 Y=0.61619000 Z=0.01911000
      -2: X=0.70346000 Y=0.38381000 Z=0.98089000
      -2: X=0.79654000 Y=0.61619000 Z=0.48089000
      -2: X=0.20346000 Y=0.38381000 Z=0.51911000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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  -3: X=0.37717000 Y=0.02947000 Z=0.15569000
          MULT= 8          ISPLIT= 8
      -3: X=0.62283000 Y=0.97053000 Z=0.84431000
      -3: X=0.87717000 Y=0.02947000 Z=0.34431000
      -3: X=0.12283000 Y=0.97053000 Z=0.65569000
      -3: X=0.12283000 Y=0.52947000 Z=0.15569000
      -3: X=0.87717000 Y=0.47053000 Z=0.84431000
      -3: X=0.62283000 Y=0.52947000 Z=0.34431000
      -3: X=0.37717000 Y=0.47053000 Z=0.65569000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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=0.08807000 Y=0.12665000 Z=0.38064000
          MULT= 8          ISPLIT= 8
      -4: X=0.91193000 Y=0.87335000 Z=0.61936000
      -4: X=0.58807000 Y=0.12665000 Z=0.11936000
      -4: X=0.41193000 Y=0.87335000 Z=0.88064000
      -4: X=0.41193000 Y=0.62665000 Z=0.38064000
      -4: X=0.58807000 Y=0.37335000 Z=0.61936000
      -4: X=0.91193000 Y=0.62665000 Z=0.11936000
      -4: X=0.08807000 Y=0.37335000 Z=0.88064000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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=0.08927000 Y=0.22526000 Z=0.18578000
          MULT= 8          ISPLIT= 8
      -5: X=0.91073000 Y=0.77474000 Z=0.81422000
      -5: X=0.58927000 Y=0.22526000 Z=0.31422000
      -5: X=0.41073000 Y=0.77474000 Z=0.68578000
      -5: X=0.41073000 Y=0.72526000 Z=0.18578000
      -5: X=0.58927000 Y=0.27474000 Z=0.81422000
      -5: X=0.91073000 Y=0.72526000 Z=0.31422000
      -5: X=0.08927000 Y=0.27474000 Z=0.68578000
Se         NPT=  781  R0=.000050000 RMT= 2.17        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=0.39864000 Y=0.39094000 Z=0.15520000
          MULT= 8          ISPLIT= 8
      -6: X=0.60136000 Y=0.60906000 Z=0.84480000
      -6: X=0.89864000 Y=0.39094000 Z=0.34480000
      -6: X=0.10136000 Y=0.60906000 Z=0.65520000
      -6: X=0.10136000 Y=0.89094000 Z=0.15520000
      -6: X=0.89864000 Y=0.10906000 Z=0.84480000
      -6: X=0.60136000 Y=0.89094000 Z=0.34480000
      -6: X=0.39864000 Y=0.10906000 Z=0.65520000
Cl         NPT=  781  R0=.000100000 RMT= 2.00        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000