P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 22.892709  7.475001 26.981699 90.000000 90.000000 90.000000
ATOM  -1: X=0.24128000 Y=0.25000000 Z=0.66285000
          MULT= 4          ISPLIT=15
      -1: X=0.75872000 Y=0.75000000 Z=0.33715000
      -1: X=0.74128000 Y=0.25000000 Z=0.83715000
      -1: X=0.25872000 Y=0.75000000 Z=0.16285000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.07937000 Y=0.25000000 Z=0.39920000
          MULT= 4          ISPLIT=15
      -2: X=0.92063000 Y=0.75000000 Z=0.60080000
      -2: X=0.57937000 Y=0.25000000 Z=0.10080000
      -2: X=0.42063000 Y=0.75000000 Z=0.89920000
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=0.56482000 Y=0.25000000 Z=0.60849000
          MULT= 4          ISPLIT=15
      -3: X=0.43518000 Y=0.75000000 Z=0.39151000
      -3: X=0.06482000 Y=0.25000000 Z=0.89151000
      -3: X=0.93518000 Y=0.75000000 Z=0.10849000
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=0.08220000 Y=0.25000000 Z=0.07590000
          MULT= 4          ISPLIT=15
      -4: X=0.91780000 Y=0.75000000 Z=0.92410000
      -4: X=0.58220000 Y=0.25000000 Z=0.42410000
      -4: X=0.41780000 Y=0.75000000 Z=0.57590000
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  -5: X=0.29290000 Y=0.25000000 Z=0.34120000
          MULT= 4          ISPLIT=15
      -5: X=0.70710000 Y=0.75000000 Z=0.65880000
      -5: X=0.79290000 Y=0.25000000 Z=0.15880000
      -5: X=0.20710000 Y=0.75000000 Z=0.84120000
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=0.37660000 Y=0.25000000 Z=0.02360000
          MULT= 4          ISPLIT=15
      -6: X=0.62340000 Y=0.75000000 Z=0.97640000
      -6: X=0.87660000 Y=0.25000000 Z=0.47640000
      -6: X=0.12340000 Y=0.75000000 Z=0.52360000
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=0.47720000 Y=0.25000000 Z=0.78290000
          MULT= 4          ISPLIT=15
      -7: X=0.52280000 Y=0.75000000 Z=0.21710000
      -7: X=0.97720000 Y=0.25000000 Z=0.71710000
      -7: X=0.02280000 Y=0.75000000 Z=0.28290000
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