H   LATTICE,NONEQUIV.ATOMS   5  188 P-6c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.274338 12.274338 17.662325 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12023000 Y=0.36587000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.24564000 Y=0.87977000 Z=0.25000000
      -3: X=0.63413000 Y=0.87977000 Z=0.75000000
      -3: X=0.63413000 Y=0.75436000 Z=0.25000000
      -3: X=0.24564000 Y=0.36587000 Z=0.75000000
      -3: X=0.12023000 Y=0.75436000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07103000 Y=0.58797000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.51694000 Y=0.92897000 Z=0.25000000
      -4: X=0.41203000 Y=0.92897000 Z=0.75000000
      -4: X=0.41203000 Y=0.48306000 Z=0.25000000
      -4: X=0.51694000 Y=0.58797000 Z=0.75000000
      -4: X=0.07103000 Y=0.48306000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22923000 Y=0.00127000 Z=0.10320000
          MULT=12          ISPLIT= 8
      -5: X=0.77204000 Y=0.77077000 Z=0.39680000
      -5: X=0.99873000 Y=0.77077000 Z=0.89680000
      -5: X=0.99873000 Y=0.22796000 Z=0.10320000
      -5: X=0.77204000 Y=0.00127000 Z=0.60320000
      -5: X=0.22923000 Y=0.00127000 Z=0.39680000
      -5: X=0.22923000 Y=0.22796000 Z=0.89680000
      -5: X=0.77204000 Y=0.77077000 Z=0.10320000
      -5: X=0.99873000 Y=0.77077000 Z=0.60320000
      -5: X=0.99873000 Y=0.22796000 Z=0.39680000
      -5: X=0.77204000 Y=0.00127000 Z=0.89680000
      -5: X=0.22923000 Y=0.22796000 Z=0.60320000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000