CXY LATTICE,NONEQUIV.ATOMS   8   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 10.776541 31.111695 14.164631 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.71580000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.28420000 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=0.37950000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.62050000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.09740000 Z=0.04180000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.90260000 Z=0.95820000
      -3: X=0.00000000 Y=0.09740000 Z=0.45820000
      -3: X=0.00000000 Y=0.90260000 Z=0.54180000
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
ATOM  -4: X=0.27090000 Y=0.36160000 Z=0.03900000
          MULT= 8          ISPLIT=15
      -4: X=0.72910000 Y=0.63840000 Z=0.96100000
      -4: X=0.27090000 Y=0.36160000 Z=0.46100000
      -4: X=0.72910000 Y=0.63840000 Z=0.53900000
      -4: X=0.72910000 Y=0.36160000 Z=0.03900000
      -4: X=0.27090000 Y=0.63840000 Z=0.96100000
      -4: X=0.72910000 Y=0.36160000 Z=0.46100000
      -4: X=0.27090000 Y=0.63840000 Z=0.53900000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.49270000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -6: X=0.00000000 Y=0.50730000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.10650000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -7: X=0.00000000 Y=0.89350000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.26810000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -8: X=0.00000000 Y=0.73190000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000