B   LATTICE,NONEQUIV.ATOMS   6   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.298888 21.340677 31.038752 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.13060000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.86940000 Z=0.75000000
      -1: X=0.00000000 Y=0.13060000 Z=0.75000000
      -1: X=0.00000000 Y=0.86940000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.38        Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.20650000 Y=0.12860000 Z=0.15120000
          MULT= 8          ISPLIT= 8
      -2: X=0.79350000 Y=0.87140000 Z=0.84880000
      -2: X=0.20650000 Y=0.12860000 Z=0.84880000
      -2: X=0.79350000 Y=0.87140000 Z=0.15120000
      -2: X=0.79350000 Y=0.12860000 Z=0.65120000
      -2: X=0.20650000 Y=0.87140000 Z=0.34880000
      -2: X=0.79350000 Y=0.12860000 Z=0.34880000
      -2: X=0.20650000 Y=0.87140000 Z=0.65120000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.21630000 Y=0.32990000 Z=0.11250000
          MULT= 8          ISPLIT= 8
      -3: X=0.78370000 Y=0.67010000 Z=0.88750000
      -3: X=0.21630000 Y=0.32990000 Z=0.88750000
      -3: X=0.78370000 Y=0.67010000 Z=0.11250000
      -3: X=0.78370000 Y=0.32990000 Z=0.61250000
      -3: X=0.21630000 Y=0.67010000 Z=0.38750000
      -3: X=0.78370000 Y=0.32990000 Z=0.38750000
      -3: X=0.21630000 Y=0.67010000 Z=0.61250000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.05000000 Y=0.34180000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.95000000 Y=0.65820000 Z=0.00000000
      -4: X=0.95000000 Y=0.34180000 Z=0.50000000
      -4: X=0.05000000 Y=0.65820000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.75000000
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  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.00000000 Z=0.50000000
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