CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  8.770975 28.128762 12.759242 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.72290000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.27710000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.00000000 Y=0.45065000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.54935000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.07617000 Z=0.06820000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.92383000 Z=0.93180000
      -3: X=0.00000000 Y=0.07617000 Z=0.43180000
      -3: X=0.00000000 Y=0.92383000 Z=0.56820000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  14.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000