P   LATTICE,NONEQUIV.ATOMS   5  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.689246 19.689246 19.689246 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       1: X=0.50000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.75000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.75000000 Z=0.50000000
      -3: X=0.00000000 Y=0.25000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.18520000 Y=0.18520000 Z=0.18520000
          MULT=16          ISPLIT= 4
      -4: X=0.81480000 Y=0.81480000 Z=0.81480000
      -4: X=0.31480000 Y=0.68520000 Z=0.68520000
      -4: X=0.68520000 Y=0.31480000 Z=0.31480000
      -4: X=0.18520000 Y=0.81480000 Z=0.81480000
      -4: X=0.81480000 Y=0.18520000 Z=0.18520000
      -4: X=0.81480000 Y=0.81480000 Z=0.18520000
      -4: X=0.18520000 Y=0.18520000 Z=0.81480000
      -4: X=0.68520000 Y=0.68520000 Z=0.31480000
      -4: X=0.31480000 Y=0.31480000 Z=0.68520000
      -4: X=0.68520000 Y=0.31480000 Z=0.68520000
      -4: X=0.31480000 Y=0.68520000 Z=0.31480000
      -4: X=0.81480000 Y=0.18520000 Z=0.81480000
      -4: X=0.18520000 Y=0.81480000 Z=0.18520000
      -4: X=0.31480000 Y=0.31480000 Z=0.31480000
      -4: X=0.68520000 Y=0.68520000 Z=0.68520000
Si         NPT=  781  R0=.000100000 RMT= 1.90        Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.00000000 Y=0.11680000 Z=0.30630000
          MULT=24          ISPLIT= 8
      -5: X=0.00000000 Y=0.88320000 Z=0.69370000
      -5: X=0.38320000 Y=0.50000000 Z=0.80630000
      -5: X=0.61680000 Y=0.50000000 Z=0.19370000
      -5: X=0.30630000 Y=0.00000000 Z=0.11680000
      -5: X=0.69370000 Y=0.00000000 Z=0.88320000
      -5: X=0.00000000 Y=0.88320000 Z=0.30630000
      -5: X=0.00000000 Y=0.11680000 Z=0.69370000
      -5: X=0.50000000 Y=0.80630000 Z=0.61680000
      -5: X=0.50000000 Y=0.19370000 Z=0.38320000
      -5: X=0.61680000 Y=0.50000000 Z=0.80630000
      -5: X=0.38320000 Y=0.50000000 Z=0.19370000
      -5: X=0.69370000 Y=0.00000000 Z=0.11680000
      -5: X=0.30630000 Y=0.00000000 Z=0.88320000
      -5: X=0.50000000 Y=0.19370000 Z=0.61680000
      -5: X=0.50000000 Y=0.80630000 Z=0.38320000
      -5: X=0.80630000 Y=0.38320000 Z=0.50000000
      -5: X=0.19370000 Y=0.61680000 Z=0.50000000
      -5: X=0.11680000 Y=0.30630000 Z=0.00000000
      -5: X=0.88320000 Y=0.69370000 Z=0.00000000
      -5: X=0.80630000 Y=0.61680000 Z=0.50000000
      -5: X=0.19370000 Y=0.38320000 Z=0.50000000
      -5: X=0.88320000 Y=0.30630000 Z=0.00000000
      -5: X=0.11680000 Y=0.69370000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 1.90        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000