P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma    
MODE OF CALC=RELA unit=bohr
 16.440617 11.395049 23.734960 90.000000 90.000000 90.000000
ATOM  -1: X=0.21700000 Y=0.25000000 Z=0.37800000
          MULT= 4          ISPLIT=15
      -1: X=0.78300000 Y=0.75000000 Z=0.62200000
      -1: X=0.71700000 Y=0.25000000 Z=0.12200000
      -1: X=0.28300000 Y=0.75000000 Z=0.87800000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16700000 Y=0.25000000 Z=0.05600000
          MULT= 4          ISPLIT=15
      -2: X=0.83300000 Y=0.75000000 Z=0.94400000
      -2: X=0.66700000 Y=0.25000000 Z=0.44400000
      -2: X=0.33300000 Y=0.75000000 Z=0.55600000
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  -3: X=0.04300000 Y=0.25000000 Z=0.71600000
          MULT= 4          ISPLIT=15
      -3: X=0.95700000 Y=0.75000000 Z=0.28400000
      -3: X=0.54300000 Y=0.25000000 Z=0.78400000
      -3: X=0.45700000 Y=0.75000000 Z=0.21600000
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  -4: X=0.39000000 Y=0.06000000 Z=0.38000000
          MULT= 8          ISPLIT=15
      -4: X=0.61000000 Y=0.94000000 Z=0.62000000
      -4: X=0.89000000 Y=0.06000000 Z=0.12000000
      -4: X=0.11000000 Y=0.94000000 Z=0.88000000
      -4: X=0.11000000 Y=0.56000000 Z=0.88000000
      -4: X=0.89000000 Y=0.44000000 Z=0.12000000
      -4: X=0.61000000 Y=0.56000000 Z=0.62000000
      -4: X=0.39000000 Y=0.44000000 Z=0.38000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21500000 Y=0.06000000 Z=0.26000000
          MULT= 8          ISPLIT=15
      -5: X=0.78500000 Y=0.94000000 Z=0.74000000
      -5: X=0.71500000 Y=0.06000000 Z=0.24000000
      -5: X=0.28500000 Y=0.94000000 Z=0.76000000
      -5: X=0.28500000 Y=0.56000000 Z=0.76000000
      -5: X=0.71500000 Y=0.44000000 Z=0.24000000
      -5: X=0.78500000 Y=0.56000000 Z=0.74000000
      -5: X=0.21500000 Y=0.44000000 Z=0.26000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.13000000 Y=0.52000000 Z=0.43000000
          MULT= 8          ISPLIT=15
      -6: X=0.87000000 Y=0.48000000 Z=0.57000000
      -6: X=0.63000000 Y=0.52000000 Z=0.07000000
      -6: X=0.37000000 Y=0.48000000 Z=0.93000000
      -6: X=0.37000000 Y=0.02000000 Z=0.93000000
      -6: X=0.63000000 Y=0.98000000 Z=0.07000000
      -6: X=0.87000000 Y=0.02000000 Z=0.57000000
      -6: X=0.13000000 Y=0.98000000 Z=0.43000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.35000000
          MULT= 4          ISPLIT=15
      -7: X=0.00000000 Y=0.75000000 Z=0.65000000
      -7: X=0.50000000 Y=0.25000000 Z=0.15000000
      -7: X=0.50000000 Y=0.75000000 Z=0.85000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.28000000 Y=0.25000000 Z=0.52000000
          MULT= 4          ISPLIT=15
      -8: X=0.72000000 Y=0.75000000 Z=0.48000000
      -8: X=0.78000000 Y=0.25000000 Z=0.98000000
      -8: X=0.22000000 Y=0.75000000 Z=0.02000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000