P   LATTICE,NONEQUIV.ATOMS   9   62 Pnma    
MODE OF CALC=RELA unit=bohr
 39.822388  7.564574 21.291544 90.000000 90.000000 90.000000
ATOM  -1: X=0.42410000 Y=0.25000000 Z=0.63237000
          MULT= 4          ISPLIT=15
      -1: X=0.57590000 Y=0.75000000 Z=0.36763000
      -1: X=0.92410000 Y=0.25000000 Z=0.86763000
      -1: X=0.07590000 Y=0.75000000 Z=0.13237000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10868000 Y=0.25000000 Z=0.31371000
          MULT= 4          ISPLIT=15
      -2: X=0.89132000 Y=0.75000000 Z=0.68629000
      -2: X=0.60868000 Y=0.25000000 Z=0.18629000
      -2: X=0.39132000 Y=0.75000000 Z=0.81371000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15787000 Y=0.25000000 Z=0.02941000
          MULT= 4          ISPLIT=15
      -3: X=0.84213000 Y=0.75000000 Z=0.97059000
      -3: X=0.65787000 Y=0.25000000 Z=0.47059000
      -3: X=0.34213000 Y=0.75000000 Z=0.52941000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26765000 Y=0.25000000 Z=0.73968000
          MULT= 4          ISPLIT=15
      -4: X=0.73235000 Y=0.75000000 Z=0.26032000
      -4: X=0.76765000 Y=0.25000000 Z=0.76032000
      -4: X=0.23235000 Y=0.75000000 Z=0.23968000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.47411000 Y=0.25000000 Z=0.37815000
          MULT= 4          ISPLIT=15
      -5: X=0.52589000 Y=0.75000000 Z=0.62185000
      -5: X=0.97411000 Y=0.25000000 Z=0.12185000
      -5: X=0.02589000 Y=0.75000000 Z=0.87815000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.35986000 Y=0.25000000 Z=0.06222000
          MULT= 4          ISPLIT=15
      -6: X=0.64014000 Y=0.75000000 Z=0.93778000
      -6: X=0.85986000 Y=0.25000000 Z=0.43778000
      -6: X=0.14014000 Y=0.75000000 Z=0.56222000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00670000 Y=0.25000000 Z=0.61140000
          MULT= 4          ISPLIT=15
      -7: X=0.99330000 Y=0.75000000 Z=0.38860000
      -7: X=0.50670000 Y=0.25000000 Z=0.88860000
      -7: X=0.49330000 Y=0.75000000 Z=0.11140000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.23678000 Y=0.25000000 Z=0.45650000
          MULT= 4          ISPLIT=15
      -8: X=0.76322000 Y=0.75000000 Z=0.54350000
      -8: X=0.73678000 Y=0.25000000 Z=0.04350000
      -8: X=0.26322000 Y=0.75000000 Z=0.95650000
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  -9: X=0.12595000 Y=0.25000000 Z=0.76810000
          MULT= 4          ISPLIT=15
      -9: X=0.87405000 Y=0.75000000 Z=0.23190000
      -9: X=0.62595000 Y=0.25000000 Z=0.73190000
      -9: X=0.37405000 Y=0.75000000 Z=0.26810000
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