P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 19.327741  6.373479 22.481505 90.000000 90.000000 90.000000
ATOM  -1: X=0.24570000 Y=0.25000000 Z=0.64990000
          MULT= 4          ISPLIT=15
      -1: X=0.75430000 Y=0.75000000 Z=0.35010000
      -1: X=0.74570000 Y=0.25000000 Z=0.85010000
      -1: X=0.25430000 Y=0.75000000 Z=0.14990000
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=0.07850000 Y=0.25000000 Z=0.39044000
          MULT= 4          ISPLIT=15
      -2: X=0.92150000 Y=0.75000000 Z=0.60956000
      -2: X=0.57850000 Y=0.25000000 Z=0.10956000
      -2: X=0.42150000 Y=0.75000000 Z=0.89044000
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=0.57324000 Y=0.25000000 Z=0.61209000
          MULT= 4          ISPLIT=15
      -3: X=0.42676000 Y=0.75000000 Z=0.38791000
      -3: X=0.07324000 Y=0.25000000 Z=0.88791000
      -3: X=0.92676000 Y=0.75000000 Z=0.11209000
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=0.29100000 Y=0.25000000 Z=0.33500000
          MULT= 4          ISPLIT=15
      -4: X=0.70900000 Y=0.75000000 Z=0.66500000
      -4: X=0.79100000 Y=0.25000000 Z=0.16500000
      -4: X=0.20900000 Y=0.75000000 Z=0.83500000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.38800000 Y=0.25000000 Z=0.00900000
          MULT= 4          ISPLIT=15
      -5: X=0.61200000 Y=0.75000000 Z=0.99100000
      -5: X=0.88800000 Y=0.25000000 Z=0.49100000
      -5: X=0.11200000 Y=0.75000000 Z=0.50900000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.48300000 Y=0.25000000 Z=0.78300000
          MULT= 4          ISPLIT=15
      -6: X=0.51700000 Y=0.75000000 Z=0.21700000
      -6: X=0.98300000 Y=0.25000000 Z=0.71700000
      -6: X=0.01700000 Y=0.75000000 Z=0.28300000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.07600000 Y=0.25000000 Z=0.07600000
          MULT= 4          ISPLIT=15
      -7: X=0.92400000 Y=0.75000000 Z=0.92400000
      -7: X=0.57600000 Y=0.25000000 Z=0.42400000
      -7: X=0.42400000 Y=0.75000000 Z=0.57600000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000