P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma    
MODE OF CALC=RELA unit=bohr
 30.883794  8.219742 26.959589 90.000000 90.000000 90.000000
ATOM  -1: X=0.12591000 Y=0.25000000 Z=0.41009000
          MULT= 4          ISPLIT=15
      -1: X=0.87409000 Y=0.75000000 Z=0.58991000
      -1: X=0.62591000 Y=0.25000000 Z=0.08991000
      -1: X=0.37409000 Y=0.75000000 Z=0.91009000
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=0.38134000 Y=0.25000000 Z=0.24976000
          MULT= 4          ISPLIT=15
      -2: X=0.61866000 Y=0.75000000 Z=0.75024000
      -2: X=0.88134000 Y=0.25000000 Z=0.25024000
      -2: X=0.11866000 Y=0.75000000 Z=0.74976000
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=0.36612000 Y=0.25000000 Z=0.57343000
          MULT= 4          ISPLIT=15
      -3: X=0.63388000 Y=0.75000000 Z=0.42657000
      -3: X=0.86612000 Y=0.25000000 Z=0.92657000
      -3: X=0.13388000 Y=0.75000000 Z=0.07343000
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=0.57223000 Y=0.25000000 Z=0.58082000
          MULT= 4          ISPLIT=15
      -4: X=0.42777000 Y=0.75000000 Z=0.41918000
      -4: X=0.07223000 Y=0.25000000 Z=0.91918000
      -4: X=0.92777000 Y=0.75000000 Z=0.08082000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   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  -5: X=0.28265000 Y=0.25000000 Z=0.04813000
          MULT= 4          ISPLIT=15
      -5: X=0.71735000 Y=0.75000000 Z=0.95187000
      -5: X=0.78265000 Y=0.25000000 Z=0.45187000
      -5: X=0.21735000 Y=0.75000000 Z=0.54813000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.26696000 Y=0.25000000 Z=0.77724000
          MULT= 4          ISPLIT=15
      -6: X=0.73304000 Y=0.75000000 Z=0.22276000
      -6: X=0.76696000 Y=0.25000000 Z=0.72276000
      -6: X=0.23304000 Y=0.75000000 Z=0.27724000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   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=0.02428000 Y=0.25000000 Z=0.61270000
          MULT= 4          ISPLIT=15
      -7: X=0.97572000 Y=0.75000000 Z=0.38730000
      -7: X=0.52428000 Y=0.25000000 Z=0.88730000
      -7: X=0.47572000 Y=0.75000000 Z=0.11270000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   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  -8: X=0.06812000 Y=0.25000000 Z=0.20255000
          MULT= 4          ISPLIT=15
      -8: X=0.93188000 Y=0.75000000 Z=0.79745000
      -8: X=0.56812000 Y=0.25000000 Z=0.29745000
      -8: X=0.43188000 Y=0.75000000 Z=0.70255000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000