P   LATTICE,NONEQUIV.ATOMS   7  100 P4bm                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.331013 16.331013 10.639158 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.67417000 Y=0.17417000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.82583000 Y=0.67417000 Z=0.00000000
      -1: X=0.32583000 Y=0.82583000 Z=0.00000000
      -1: X=0.17417000 Y=0.32583000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.53630000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.53630000
Ti         NPT=  781  R0=.000050000 RMT= 1.77        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12900000 Y=0.62900000 Z=0.50440000
          MULT= 4          ISPLIT= 8
      -3: X=0.37100000 Y=0.12900000 Z=0.50440000
      -3: X=0.87100000 Y=0.37100000 Z=0.50440000
      -3: X=0.62900000 Y=0.87100000 Z=0.50440000
Si         NPT=  781  R0=.000100000 RMT= 1.39        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.59200000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.59200000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12570000 Y=0.62570000 Z=0.22000000
          MULT= 4          ISPLIT= 8
      -5: X=0.37430000 Y=0.12570000 Z=0.22000000
      -5: X=0.87430000 Y=0.37430000 Z=0.22000000
      -5: X=0.62570000 Y=0.87430000 Z=0.22000000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.20190000 Y=0.08100000 Z=0.60600000
          MULT= 8          ISPLIT= 8
      -6: X=0.91900000 Y=0.20190000 Z=0.60600000
      -6: X=0.29810000 Y=0.58100000 Z=0.60600000
      -6: X=0.79810000 Y=0.91900000 Z=0.60600000
      -6: X=0.41900000 Y=0.29810000 Z=0.60600000
      -6: X=0.08100000 Y=0.79810000 Z=0.60600000
      -6: X=0.70190000 Y=0.41900000 Z=0.60600000
      -6: X=0.58100000 Y=0.70190000 Z=0.60600000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.00000000 Y=0.00000000 Z=0.21800000
          MULT= 2          ISPLIT=-2
      -7: X=0.50000000 Y=0.50000000 Z=0.21800000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000