CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m    
MODE OF CALC=RELA unit=bohr
 34.049085 19.987633  7.948188 90.000000 90.000000 82.070000
ATOM  -1: X=0.53530000 Y=0.16968000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.46470000 Y=0.83032000 Z=0.00000000
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  -2: X=0.61627000 Y=0.50903000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.38373000 Y=0.49097000 Z=0.00000000
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=0.31911000 Y=0.14846000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.68089000 Y=0.85154000 Z=0.00000000
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  -4: X=0.91100000 Y=0.27750000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.08900000 Y=0.72250000 Z=0.00000000
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=0.93543000 Y=0.04970000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.06457000 Y=0.95030000 Z=0.00000000
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  -6: X=0.98065000 Y=0.61180000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -6: X=0.01935000 Y=0.38820000 Z=0.00000000
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  -7: X=0.77367000 Y=0.60820000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -7: X=0.22633000 Y=0.39180000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.70270000 Y=0.12700000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -8: X=0.29730000 Y=0.87300000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000