CXY LATTICE,NONEQUIV.ATOMS   8   65 Cmmm    
MODE OF CALC=RELA unit=bohr
 16.044153 22.088631 14.386863 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.21776000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.78224000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  55.00000
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.25000000 Z=0.00000000
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  -4: X=0.30987000 Y=0.00000000 Z=0.29498000
          MULT= 4          ISPLIT=15
      -4: X=0.69013000 Y=0.00000000 Z=0.70502000
      -4: X=0.30987000 Y=0.00000000 Z=0.70502000
      -4: X=0.69013000 Y=0.00000000 Z=0.29498000
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  -5: X=0.25200000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -5: X=0.74800000 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=0.24230000 Y=0.11410000 Z=0.20620000
          MULT= 8          ISPLIT=15
      -6: X=0.75770000 Y=0.88590000 Z=0.79380000
      -6: X=0.24230000 Y=0.11410000 Z=0.79380000
      -6: X=0.75770000 Y=0.88590000 Z=0.20620000
      -6: X=0.75770000 Y=0.11410000 Z=0.20620000
      -6: X=0.24230000 Y=0.88590000 Z=0.79380000
      -6: X=0.75770000 Y=0.11410000 Z=0.79380000
      -6: X=0.24230000 Y=0.88590000 Z=0.20620000
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=0.50000000 Z=0.29700000
          MULT= 2          ISPLIT=15
      -7: X=0.00000000 Y=0.50000000 Z=0.70300000
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=0.24550000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -8: X=0.00000000 Y=0.75450000 Z=0.00000000
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