P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma    
MODE OF CALC=RELA unit=bohr
 16.828011 10.442627 33.793972 90.000000 90.000000 90.000000
ATOM  -1: X=0.27380000 Y=0.25000000 Z=0.47081000
          MULT= 4          ISPLIT=15
      -1: X=0.72620000 Y=0.75000000 Z=0.52919000
      -1: X=0.77380000 Y=0.25000000 Z=0.02919000
      -1: X=0.22620000 Y=0.75000000 Z=0.97081000
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=0.34500000 Y=0.25000000 Z=0.19962000
          MULT= 4          ISPLIT=15
      -2: X=0.65500000 Y=0.75000000 Z=0.80038000
      -2: X=0.84500000 Y=0.25000000 Z=0.30038000
      -2: X=0.15500000 Y=0.75000000 Z=0.69962000
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=0.48670000 Y=0.25000000 Z=0.66897000
          MULT= 4          ISPLIT=15
      -3: X=0.51330000 Y=0.75000000 Z=0.33103000
      -3: X=0.98670000 Y=0.25000000 Z=0.83103000
      -3: X=0.01330000 Y=0.75000000 Z=0.16897000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.40400000 Y=0.25000000 Z=0.02791000
          MULT= 4          ISPLIT=15
      -4: X=0.59600000 Y=0.75000000 Z=0.97209000
      -4: X=0.90400000 Y=0.25000000 Z=0.47209000
      -4: X=0.09600000 Y=0.75000000 Z=0.52791000
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
ATOM  -5: X=0.57350000 Y=0.25000000 Z=0.54310000
          MULT= 4          ISPLIT=15
      -5: X=0.42650000 Y=0.75000000 Z=0.45690000
      -5: X=0.07350000 Y=0.25000000 Z=0.95690000
      -5: X=0.92650000 Y=0.75000000 Z=0.04310000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.02060000 Y=0.25000000 Z=0.15340000
          MULT= 4          ISPLIT=15
      -6: X=0.97940000 Y=0.75000000 Z=0.84660000
      -6: X=0.52060000 Y=0.25000000 Z=0.34660000
      -6: X=0.47940000 Y=0.75000000 Z=0.65340000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.15490000 Y=0.05500000 Z=0.32670000
          MULT= 8          ISPLIT=15
      -7: X=0.84510000 Y=0.94500000 Z=0.67330000
      -7: X=0.65490000 Y=0.05500000 Z=0.17330000
      -7: X=0.34510000 Y=0.94500000 Z=0.82670000
      -7: X=0.34510000 Y=0.55500000 Z=0.82670000
      -7: X=0.65490000 Y=0.44500000 Z=0.17330000
      -7: X=0.84510000 Y=0.55500000 Z=0.67330000
      -7: X=0.15490000 Y=0.44500000 Z=0.32670000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.21830000 Y=0.25000000 Z=0.64230000
          MULT= 4          ISPLIT=15
      -8: X=0.78170000 Y=0.75000000 Z=0.35770000
      -8: X=0.71830000 Y=0.25000000 Z=0.85770000
      -8: X=0.28170000 Y=0.75000000 Z=0.14230000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000