H   LATTICE,NONEQUIV.ATOMS   5  188 P-6c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.549671 12.549671 18.443160 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333334 Y=0.66666667 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
Ti         NPT=  781  R0=.000050000 RMT= 1.92        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37726000 Y=0.11505000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.73779000 Y=0.62274000 Z=0.25000000
      -3: X=0.88495000 Y=0.62274000 Z=0.75000000
      -3: X=0.88495000 Y=0.26221000 Z=0.25000000
      -3: X=0.73779000 Y=0.11505000 Z=0.75000000
      -3: X=0.37726000 Y=0.26221000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.39        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=0.60592000 Y=0.07985000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.47393000 Y=0.39408000 Z=0.25000000
      -4: X=0.92015000 Y=0.39408000 Z=0.75000000
      -4: X=0.92015000 Y=0.52607000 Z=0.25000000
      -4: X=0.47393000 Y=0.07985000 Z=0.75000000
      -4: X=0.60592000 Y=0.52607000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.00886000 Y=0.24533000 Z=0.11275000
          MULT=12          ISPLIT= 8
      -5: X=0.23647000 Y=0.99114000 Z=0.38725000
      -5: X=0.75467000 Y=0.99114000 Z=0.88725000
      -5: X=0.75467000 Y=0.76353000 Z=0.11275000
      -5: X=0.23647000 Y=0.24533000 Z=0.61275000
      -5: X=0.00886000 Y=0.24533000 Z=0.38725000
      -5: X=0.00886000 Y=0.76353000 Z=0.88725000
      -5: X=0.23647000 Y=0.99114000 Z=0.11275000
      -5: X=0.75467000 Y=0.99114000 Z=0.61275000
      -5: X=0.75467000 Y=0.76353000 Z=0.38725000
      -5: X=0.23647000 Y=0.24533000 Z=0.88725000
      -5: X=0.00886000 Y=0.76353000 Z=0.61275000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000