B   LATTICE,NONEQUIV.ATOMS   6   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.671499 20.306997 29.194379 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: 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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: 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
ATOM  -3: X=0.00000000 Y=0.13788000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.86212000 Z=0.75000000
      -3: X=0.00000000 Y=0.13788000 Z=0.75000000
      -3: X=0.00000000 Y=0.86212000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.43        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  -4: X=0.20210000 Y=0.14000000 Z=0.14790000
          MULT= 8          ISPLIT= 8
      -4: X=0.79790000 Y=0.86000000 Z=0.85210000
      -4: X=0.20210000 Y=0.14000000 Z=0.85210000
      -4: X=0.79790000 Y=0.86000000 Z=0.14790000
      -4: X=0.79790000 Y=0.14000000 Z=0.64790000
      -4: X=0.20210000 Y=0.86000000 Z=0.35210000
      -4: X=0.79790000 Y=0.14000000 Z=0.35210000
      -4: X=0.20210000 Y=0.86000000 Z=0.64790000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05670000 Y=0.33710000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.94330000 Y=0.66290000 Z=0.00000000
      -5: X=0.94330000 Y=0.33710000 Z=0.50000000
      -5: X=0.05670000 Y=0.66290000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.20510000 Y=0.32370000 Z=0.10700000
          MULT= 8          ISPLIT= 8
      -6: X=0.79490000 Y=0.67630000 Z=0.89300000
      -6: X=0.20510000 Y=0.32370000 Z=0.89300000
      -6: X=0.79490000 Y=0.67630000 Z=0.10700000
      -6: X=0.79490000 Y=0.32370000 Z=0.60700000
      -6: X=0.20510000 Y=0.67630000 Z=0.39300000
      -6: X=0.79490000 Y=0.32370000 Z=0.39300000
      -6: X=0.20510000 Y=0.67630000 Z=0.60700000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000