P   LATTICE,NONEQUIV.ATOMS   6   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.613587 26.507188 10.414281 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.09        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.48        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=0.39940000 Y=0.26160000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.60060000 Y=0.73840000 Z=0.00000000
      -3: X=0.10060000 Y=0.76160000 Z=0.00000000
      -3: X=0.89940000 Y=0.23840000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.48        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  -4: X=0.17010000 Y=0.10130000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.82990000 Y=0.89870000 Z=0.50000000
      -4: X=0.32990000 Y=0.60130000 Z=0.50000000
      -4: X=0.67010000 Y=0.39870000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.48        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  -5: X=0.15050000 Y=0.35470000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -5: X=0.84950000 Y=0.64530000 Z=0.50000000
      -5: X=0.34950000 Y=0.85470000 Z=0.50000000
      -5: X=0.65050000 Y=0.14530000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -6: X=0.18110000 Y=0.11030000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.81890000 Y=0.88970000 Z=0.00000000
      -6: X=0.31890000 Y=0.61030000 Z=0.00000000
      -6: X=0.68110000 Y=0.38970000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000