P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 23.835494  7.764696 28.114212 90.000000 90.000000 90.000000
ATOM  -1: X=0.23994000 Y=0.25000000 Z=0.66557000
          MULT= 4          ISPLIT=15
      -1: X=0.76006000 Y=0.75000000 Z=0.33443000
      -1: X=0.73994000 Y=0.25000000 Z=0.83443000
      -1: X=0.26006000 Y=0.75000000 Z=0.16557000
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=0.07980000 Y=0.25000000 Z=0.40077000
          MULT= 4          ISPLIT=15
      -2: X=0.92020000 Y=0.75000000 Z=0.59923000
      -2: X=0.57980000 Y=0.25000000 Z=0.09923000
      -2: X=0.42020000 Y=0.75000000 Z=0.90077000
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=0.56246000 Y=0.25000000 Z=0.60870000
          MULT= 4          ISPLIT=15
      -3: X=0.43754000 Y=0.75000000 Z=0.39130000
      -3: X=0.06246000 Y=0.25000000 Z=0.89130000
      -3: X=0.93754000 Y=0.75000000 Z=0.10870000
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=0.08590000 Y=0.25000000 Z=0.07604000
          MULT= 4          ISPLIT=15
      -4: X=0.91410000 Y=0.75000000 Z=0.92396000
      -4: X=0.58590000 Y=0.25000000 Z=0.42396000
      -4: X=0.41410000 Y=0.75000000 Z=0.57604000
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=0.29430000 Y=0.25000000 Z=0.34133000
          MULT= 4          ISPLIT=15
      -5: X=0.70570000 Y=0.75000000 Z=0.65867000
      -5: X=0.79430000 Y=0.25000000 Z=0.15867000
      -5: X=0.20570000 Y=0.75000000 Z=0.84133000
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=0.37538000 Y=0.25000000 Z=0.02521000
          MULT= 4          ISPLIT=15
      -6: X=0.62462000 Y=0.75000000 Z=0.97479000
      -6: X=0.87538000 Y=0.25000000 Z=0.47479000
      -6: X=0.12462000 Y=0.75000000 Z=0.52521000
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=0.47488000 Y=0.25000000 Z=0.78338000
          MULT= 4          ISPLIT=15
      -7: X=0.52512000 Y=0.75000000 Z=0.21662000
      -7: X=0.97488000 Y=0.25000000 Z=0.71662000
      -7: X=0.02512000 Y=0.75000000 Z=0.28338000
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