CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.905653 26.434623 12.315345 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.10313000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.89687000 Z=0.75000000
Te         NPT=  781  R0=.000010000 RMT= 1.76        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.74790000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.25210000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.42300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.57700000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.36        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.22810000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.77190000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.23370000 Y=0.10780000 Z=0.04240000
          MULT= 8          ISPLIT= 8
      -5: X=0.76630000 Y=0.89220000 Z=0.95760000
      -5: X=0.23370000 Y=0.10780000 Z=0.45760000
      -5: X=0.76630000 Y=0.89220000 Z=0.54240000
      -5: X=0.76630000 Y=0.10780000 Z=0.04240000
      -5: X=0.23370000 Y=0.89220000 Z=0.95760000
      -5: X=0.76630000 Y=0.10780000 Z=0.45760000
      -5: X=0.23370000 Y=0.89220000 Z=0.54240000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000