P   LATTICE,NONEQUIV.ATOMS   8   51 Pmma    
MODE OF CALC=RELA unit=bohr
 20.635809 10.601364 20.225739 90.000000 90.000000 90.000000
ATOM  -1: X=0.00609000 Y=0.00000000 Z=0.25077000
          MULT= 4          ISPLIT=15
      -1: X=0.99391000 Y=0.00000000 Z=0.74923000
      -1: X=0.50609000 Y=0.00000000 Z=0.74923000
      -1: X=0.49391000 Y=0.00000000 Z=0.25077000
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  -2: X=0.25000000 Y=0.50000000 Z=0.57171000
          MULT= 2          ISPLIT=15
      -2: X=0.75000000 Y=0.50000000 Z=0.42829000
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=0.25000000 Y=0.50000000 Z=0.02688000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.50000000 Z=0.97312000
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=0.25000000 Y=0.00000000 Z=0.68054000
          MULT= 2          ISPLIT=15
      -4: X=0.75000000 Y=0.00000000 Z=0.31946000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.55502000 Y=0.50000000 Z=0.18873000
          MULT= 4          ISPLIT=15
      -5: X=0.44498000 Y=0.50000000 Z=0.81127000
      -5: X=0.05502000 Y=0.50000000 Z=0.81127000
      -5: X=0.94498000 Y=0.50000000 Z=0.18873000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12419000 Y=0.00000000 Z=0.00021000
          MULT= 4          ISPLIT=15
      -6: X=0.87581000 Y=0.00000000 Z=0.99979000
      -6: X=0.62419000 Y=0.00000000 Z=0.99979000
      -6: X=0.37581000 Y=0.00000000 Z=0.00021000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
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=0.24980000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -7: X=0.00000000 Y=0.75020000 Z=0.50000000
      -7: X=0.50000000 Y=0.24980000 Z=0.50000000
      -7: X=0.50000000 Y=0.75020000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.25000000 Y=0.24920000 Z=0.28919000
          MULT= 4          ISPLIT=15
      -8: X=0.75000000 Y=0.75080000 Z=0.71081000
      -8: X=0.75000000 Y=0.24920000 Z=0.71081000
      -8: X=0.25000000 Y=0.75080000 Z=0.28919000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000