P   LATTICE,NONEQUIV.ATOMS  11   25 Pmm2                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.437146 10.490059 18.396484 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Bi         NPT=  781  R0=.000005000 RMT= 2.24        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.52450000
          MULT= 1          ISPLIT= 8
Bi         NPT=  781  R0=.000005000 RMT= 2.24        Z:  83.00000              
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=0.50000000 Z=0.76440000
          MULT= 1          ISPLIT= 8
Bi         NPT=  781  R0=.000005000 RMT= 2.24        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.79760000
          MULT= 1          ISPLIT= 8
Bi         NPT=  781  R0=.000005000 RMT= 2.24        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.00000000 Z=0.34600000
          MULT= 1          ISPLIT= 8
Te         NPT=  781  R0=.000010000 RMT= 1.96        Z:  52.00000              
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=0.50000000 Z=0.29100000
          MULT= 1          ISPLIT= 8
Te         NPT=  781  R0=.000010000 RMT= 1.96        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.50000000 Y=0.50000000 Z=0.04700000
          MULT= 1          ISPLIT= 8
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
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=0.00000000 Z=0.07900000
          MULT= 1          ISPLIT= 8
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.26000000 Y=0.26000000 Z=0.67000000
          MULT= 4          ISPLIT= 8
      -9: X=0.74000000 Y=0.74000000 Z=0.67000000
      -9: X=0.74000000 Y=0.26000000 Z=0.67000000
      -9: X=0.26000000 Y=0.74000000 Z=0.67000000
O          NPT=  781  R0=.000100000 RMT= 1.68        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 -10: X=0.24000000 Y=0.23000000 Z=0.32100000
          MULT= 4          ISPLIT= 8
     -10: X=0.76000000 Y=0.77000000 Z=0.32100000
     -10: X=0.76000000 Y=0.23000000 Z=0.32100000
     -10: X=0.24000000 Y=0.77000000 Z=0.32100000
O          NPT=  781  R0=.000100000 RMT= 1.68        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 -11: X=0.00000000 Y=0.50000000 Z=0.49500000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000