P   LATTICE,NONEQUIV.ATOMS   4  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.097572 19.097572 19.097572 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -1: X=0.75000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.75000000 Z=0.00000000
      -1: X=0.50000000 Y=0.25000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
Si         NPT=  781  R0=.000100000 RMT= 2.14        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  -2: X=0.18500000 Y=0.18500000 Z=0.18500000
          MULT=16          ISPLIT= 4
      -2: X=0.81500000 Y=0.81500000 Z=0.81500000
      -2: X=0.31500000 Y=0.68500000 Z=0.68500000
      -2: X=0.68500000 Y=0.31500000 Z=0.31500000
      -2: X=0.18500000 Y=0.81500000 Z=0.81500000
      -2: X=0.81500000 Y=0.18500000 Z=0.18500000
      -2: X=0.81500000 Y=0.81500000 Z=0.18500000
      -2: X=0.18500000 Y=0.18500000 Z=0.81500000
      -2: X=0.68500000 Y=0.68500000 Z=0.31500000
      -2: X=0.31500000 Y=0.31500000 Z=0.68500000
      -2: X=0.68500000 Y=0.31500000 Z=0.68500000
      -2: X=0.31500000 Y=0.68500000 Z=0.31500000
      -2: X=0.81500000 Y=0.18500000 Z=0.81500000
      -2: X=0.18500000 Y=0.81500000 Z=0.18500000
      -2: X=0.31500000 Y=0.31500000 Z=0.31500000
      -2: X=0.68500000 Y=0.68500000 Z=0.68500000
Si         NPT=  781  R0=.000100000 RMT= 2.14        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  -3: X=0.00000000 Y=0.31000000 Z=0.11600000
          MULT=24          ISPLIT= 8
      -3: X=0.00000000 Y=0.69000000 Z=0.88400000
      -3: X=0.19000000 Y=0.50000000 Z=0.61600000
      -3: X=0.81000000 Y=0.50000000 Z=0.38400000
      -3: X=0.11600000 Y=0.00000000 Z=0.31000000
      -3: X=0.88400000 Y=0.00000000 Z=0.69000000
      -3: X=0.00000000 Y=0.69000000 Z=0.11600000
      -3: X=0.00000000 Y=0.31000000 Z=0.88400000
      -3: X=0.50000000 Y=0.61600000 Z=0.81000000
      -3: X=0.50000000 Y=0.38400000 Z=0.19000000
      -3: X=0.81000000 Y=0.50000000 Z=0.61600000
      -3: X=0.19000000 Y=0.50000000 Z=0.38400000
      -3: X=0.88400000 Y=0.00000000 Z=0.31000000
      -3: X=0.11600000 Y=0.00000000 Z=0.69000000
      -3: X=0.50000000 Y=0.38400000 Z=0.81000000
      -3: X=0.50000000 Y=0.61600000 Z=0.19000000
      -3: X=0.61600000 Y=0.19000000 Z=0.50000000
      -3: X=0.38400000 Y=0.81000000 Z=0.50000000
      -3: X=0.31000000 Y=0.11600000 Z=0.00000000
      -3: X=0.69000000 Y=0.88400000 Z=0.00000000
      -3: X=0.61600000 Y=0.81000000 Z=0.50000000
      -3: X=0.38400000 Y=0.19000000 Z=0.50000000
      -3: X=0.69000000 Y=0.11600000 Z=0.00000000
      -3: X=0.31000000 Y=0.88400000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.14        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM   4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       4: 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