P   LATTICE,NONEQUIV.ATOMS   5  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.474951 19.474951 19.474951 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
Si         NPT=  781  R0=.000100000 RMT= 2.18        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.18510000 Y=0.18510000 Z=0.18510000
          MULT=16          ISPLIT= 4
      -4: X=0.81490000 Y=0.81490000 Z=0.81490000
      -4: X=0.31490000 Y=0.68510000 Z=0.68510000
      -4: X=0.68510000 Y=0.31490000 Z=0.31490000
      -4: X=0.18510000 Y=0.81490000 Z=0.81490000
      -4: X=0.81490000 Y=0.18510000 Z=0.18510000
      -4: X=0.81490000 Y=0.81490000 Z=0.18510000
      -4: X=0.18510000 Y=0.18510000 Z=0.81490000
      -4: X=0.68510000 Y=0.68510000 Z=0.31490000
      -4: X=0.31490000 Y=0.31490000 Z=0.68510000
      -4: X=0.68510000 Y=0.31490000 Z=0.68510000
      -4: X=0.31490000 Y=0.68510000 Z=0.31490000
      -4: X=0.81490000 Y=0.18510000 Z=0.81490000
      -4: X=0.18510000 Y=0.81490000 Z=0.18510000
      -4: X=0.31490000 Y=0.31490000 Z=0.31490000
      -4: X=0.68510000 Y=0.68510000 Z=0.68510000
Si         NPT=  781  R0=.000100000 RMT= 2.18        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=0.12100000 Z=0.30520000
          MULT=24          ISPLIT= 8
      -5: X=0.00000000 Y=0.87900000 Z=0.69480000
      -5: X=0.37900000 Y=0.50000000 Z=0.80520000
      -5: X=0.62100000 Y=0.50000000 Z=0.19480000
      -5: X=0.30520000 Y=0.00000000 Z=0.12100000
      -5: X=0.69480000 Y=0.00000000 Z=0.87900000
      -5: X=0.00000000 Y=0.87900000 Z=0.30520000
      -5: X=0.00000000 Y=0.12100000 Z=0.69480000
      -5: X=0.50000000 Y=0.80520000 Z=0.62100000
      -5: X=0.50000000 Y=0.19480000 Z=0.37900000
      -5: X=0.62100000 Y=0.50000000 Z=0.80520000
      -5: X=0.37900000 Y=0.50000000 Z=0.19480000
      -5: X=0.69480000 Y=0.00000000 Z=0.12100000
      -5: X=0.30520000 Y=0.00000000 Z=0.87900000
      -5: X=0.50000000 Y=0.19480000 Z=0.62100000
      -5: X=0.50000000 Y=0.80520000 Z=0.37900000
      -5: X=0.80520000 Y=0.37900000 Z=0.50000000
      -5: X=0.19480000 Y=0.62100000 Z=0.50000000
      -5: X=0.12100000 Y=0.30520000 Z=0.00000000
      -5: X=0.87900000 Y=0.69480000 Z=0.00000000
      -5: X=0.80520000 Y=0.62100000 Z=0.50000000
      -5: X=0.19480000 Y=0.37900000 Z=0.50000000
      -5: X=0.87900000 Y=0.30520000 Z=0.00000000
      -5: X=0.12100000 Y=0.69480000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.18        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000