P   LATTICE,NONEQUIV.ATOMS   4  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.120249 19.120249 19.120249 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.75000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.75000000 Z=0.50000000
      -1: X=0.00000000 Y=0.25000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
Si         NPT=  781  R0=.000100000 RMT= 2.17        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=0.18400000 Y=0.18400000 Z=0.18400000
          MULT=16          ISPLIT= 4
      -2: X=0.81600000 Y=0.81600000 Z=0.81600000
      -2: X=0.31600000 Y=0.68400000 Z=0.68400000
      -2: X=0.68400000 Y=0.31600000 Z=0.31600000
      -2: X=0.18400000 Y=0.81600000 Z=0.81600000
      -2: X=0.81600000 Y=0.18400000 Z=0.18400000
      -2: X=0.81600000 Y=0.81600000 Z=0.18400000
      -2: X=0.18400000 Y=0.18400000 Z=0.81600000
      -2: X=0.68400000 Y=0.68400000 Z=0.31600000
      -2: X=0.31600000 Y=0.31600000 Z=0.68400000
      -2: X=0.68400000 Y=0.31600000 Z=0.68400000
      -2: X=0.31600000 Y=0.68400000 Z=0.31600000
      -2: X=0.81600000 Y=0.18400000 Z=0.81600000
      -2: X=0.18400000 Y=0.81600000 Z=0.18400000
      -2: X=0.31600000 Y=0.31600000 Z=0.31600000
      -2: X=0.68400000 Y=0.68400000 Z=0.68400000
Si         NPT=  781  R0=.000100000 RMT= 2.17        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=0.12000000 Z=0.30500000
          MULT=24          ISPLIT= 8
      -3: X=0.00000000 Y=0.88000000 Z=0.69500000
      -3: X=0.38000000 Y=0.50000000 Z=0.80500000
      -3: X=0.62000000 Y=0.50000000 Z=0.19500000
      -3: X=0.30500000 Y=0.00000000 Z=0.12000000
      -3: X=0.69500000 Y=0.00000000 Z=0.88000000
      -3: X=0.00000000 Y=0.88000000 Z=0.30500000
      -3: X=0.00000000 Y=0.12000000 Z=0.69500000
      -3: X=0.50000000 Y=0.80500000 Z=0.62000000
      -3: X=0.50000000 Y=0.19500000 Z=0.38000000
      -3: X=0.62000000 Y=0.50000000 Z=0.80500000
      -3: X=0.38000000 Y=0.50000000 Z=0.19500000
      -3: X=0.69500000 Y=0.00000000 Z=0.12000000
      -3: X=0.30500000 Y=0.00000000 Z=0.88000000
      -3: X=0.50000000 Y=0.19500000 Z=0.62000000
      -3: X=0.50000000 Y=0.80500000 Z=0.38000000
      -3: X=0.80500000 Y=0.38000000 Z=0.50000000
      -3: X=0.19500000 Y=0.62000000 Z=0.50000000
      -3: X=0.12000000 Y=0.30500000 Z=0.00000000
      -3: X=0.88000000 Y=0.69500000 Z=0.00000000
      -3: X=0.80500000 Y=0.62000000 Z=0.50000000
      -3: X=0.19500000 Y=0.38000000 Z=0.50000000
      -3: X=0.88000000 Y=0.30500000 Z=0.00000000
      -3: X=0.12000000 Y=0.69500000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.17        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=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -4: X=0.75000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.75000000 Z=0.00000000
      -4: X=0.50000000 Y=0.25000000 Z=0.00000000
      -4: X=0.00000000 Y=0.50000000 Z=0.75000000
      -4: 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