P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 24.967062 17.317828 15.801701 90.000000 90.000000 90.000000
ATOM  -1: X=0.32700000 Y=0.50370000 Z=0.44650000
          MULT= 8          ISPLIT=15
      -1: X=0.67300000 Y=0.49630000 Z=0.55350000
      -1: X=0.82700000 Y=0.50370000 Z=0.05350000
      -1: X=0.17300000 Y=0.49630000 Z=0.94650000
      -1: X=0.17300000 Y=0.00370000 Z=0.94650000
      -1: X=0.82700000 Y=0.99630000 Z=0.05350000
      -1: X=0.67300000 Y=0.00370000 Z=0.55350000
      -1: X=0.32700000 Y=0.99630000 Z=0.44650000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00620000 Y=0.25000000 Z=0.41880000
          MULT= 4          ISPLIT=15
      -2: X=0.99380000 Y=0.75000000 Z=0.58120000
      -2: X=0.50620000 Y=0.25000000 Z=0.08120000
      -2: X=0.49380000 Y=0.75000000 Z=0.91880000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00530000 Y=0.25000000 Z=0.06250000
          MULT= 4          ISPLIT=15
      -3: X=0.99470000 Y=0.75000000 Z=0.93750000
      -3: X=0.50530000 Y=0.25000000 Z=0.43750000
      -3: X=0.49470000 Y=0.75000000 Z=0.56250000
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  -4: X=0.28890000 Y=0.25000000 Z=0.17100000
          MULT= 4          ISPLIT=15
      -4: X=0.71110000 Y=0.75000000 Z=0.82900000
      -4: X=0.78890000 Y=0.25000000 Z=0.32900000
      -4: X=0.21110000 Y=0.75000000 Z=0.67100000
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=0.18430000 Y=0.25000000 Z=0.63120000
          MULT= 4          ISPLIT=15
      -5: X=0.81570000 Y=0.75000000 Z=0.36880000
      -5: X=0.68430000 Y=0.25000000 Z=0.86880000
      -5: X=0.31570000 Y=0.75000000 Z=0.13120000
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  -6: X=0.07910000 Y=0.54660000 Z=0.32900000
          MULT= 8          ISPLIT=15
      -6: X=0.92090000 Y=0.45340000 Z=0.67100000
      -6: X=0.57910000 Y=0.54660000 Z=0.17100000
      -6: X=0.42090000 Y=0.45340000 Z=0.82900000
      -6: X=0.42090000 Y=0.04660000 Z=0.82900000
      -6: X=0.57910000 Y=0.95340000 Z=0.17100000
      -6: X=0.92090000 Y=0.04660000 Z=0.67100000
      -6: X=0.07910000 Y=0.95340000 Z=0.32900000
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