P   LATTICE,NONEQUIV.ATOMS  10   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.457264  9.965660 22.536874 90.000000 90.000000107.043000                   
ATOM  -1: X=0.02665000 Y=0.25990000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.97335000 Y=0.74010000 Z=0.75000000
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=0.32470000 Y=0.34740000 Z=0.60197000
          MULT= 4          ISPLIT= 8
      -2: X=0.67530000 Y=0.65260000 Z=0.39803000
      -2: X=0.67530000 Y=0.65260000 Z=0.10197000
      -2: X=0.32470000 Y=0.34740000 Z=0.89803000
Sc         NPT=  781  R0=.000050000 RMT= 2.05        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.49070000 Y=0.07410000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50930000 Y=0.92590000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.35        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=0.20890000 Y=0.79960000 Z=0.05410000
          MULT= 4          ISPLIT= 8
      -4: X=0.79110000 Y=0.20040000 Z=0.94590000
      -4: X=0.79110000 Y=0.20040000 Z=0.55410000
      -4: X=0.20890000 Y=0.79960000 Z=0.44590000
Si         NPT=  781  R0=.000100000 RMT= 1.35        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  -5: X=0.60110000 Y=0.84120000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.39890000 Y=0.15880000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -6: X=0.62860000 Y=0.36800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.37140000 Y=0.63200000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -7: X=0.33100000 Y=0.04180000 Z=0.14290000
          MULT= 4          ISPLIT= 8
      -7: X=0.66900000 Y=0.95820000 Z=0.85710000
      -7: X=0.66900000 Y=0.95820000 Z=0.64290000
      -7: X=0.33100000 Y=0.04180000 Z=0.35710000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -8: X=0.79750000 Y=0.05000000 Z=0.05810000
          MULT= 4          ISPLIT= 8
      -8: X=0.20250000 Y=0.95000000 Z=0.94190000
      -8: X=0.20250000 Y=0.95000000 Z=0.55810000
      -8: X=0.79750000 Y=0.05000000 Z=0.44190000
O          NPT=  781  R0=.000100000 RMT= 1.56        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  -9: X=0.01010000 Y=0.35100000 Z=0.61190000
          MULT= 4          ISPLIT= 8
      -9: X=0.98990000 Y=0.64900000 Z=0.38810000
      -9: X=0.98990000 Y=0.64900000 Z=0.11190000
      -9: X=0.01010000 Y=0.35100000 Z=0.88810000
O          NPT=  781  R0=.000100000 RMT= 1.56        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 -10: X=0.34990000 Y=0.60440000 Z=0.04220000
          MULT= 4          ISPLIT= 8
     -10: X=0.65010000 Y=0.39560000 Z=0.95780000
     -10: X=0.65010000 Y=0.39560000 Z=0.54220000
     -10: X=0.34990000 Y=0.60440000 Z=0.45780000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000