P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.428059 10.276331 19.141036 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49631000 Y=0.25000000 Z=0.82260000
          MULT= 4          ISPLIT= 8
      -1: X=0.50369000 Y=0.75000000 Z=0.17740000
      -1: X=0.99631000 Y=0.25000000 Z=0.67740000
      -1: X=0.00369000 Y=0.75000000 Z=0.32260000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14350000 Y=0.25000000 Z=0.09560000
          MULT= 4          ISPLIT= 8
      -2: X=0.85650000 Y=0.75000000 Z=0.90440000
      -2: X=0.64350000 Y=0.25000000 Z=0.40440000
      -2: X=0.35650000 Y=0.75000000 Z=0.59560000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.12570000 Y=0.25000000 Z=0.41040000
          MULT= 4          ISPLIT= 8
      -3: X=0.87430000 Y=0.75000000 Z=0.58960000
      -3: X=0.62570000 Y=0.25000000 Z=0.08960000
      -3: X=0.37430000 Y=0.75000000 Z=0.91040000
C          NPT=  781  R0=.000100000 RMT= 1.44        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28700000 Y=0.25000000 Z=0.50080000
          MULT= 4          ISPLIT= 8
      -4: X=0.71300000 Y=0.75000000 Z=0.49920000
      -4: X=0.78700000 Y=0.25000000 Z=0.99920000
      -4: X=0.21300000 Y=0.75000000 Z=0.00080000
C          NPT=  781  R0=.000100000 RMT= 1.44        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.29130000 Y=0.10550000 Z=0.36910000
          MULT= 8          ISPLIT= 8
      -5: X=0.70870000 Y=0.89450000 Z=0.63090000
      -5: X=0.79130000 Y=0.10550000 Z=0.13090000
      -5: X=0.20870000 Y=0.89450000 Z=0.86910000
      -5: X=0.20870000 Y=0.60550000 Z=0.86910000
      -5: X=0.79130000 Y=0.39450000 Z=0.13090000
      -5: X=0.70870000 Y=0.60550000 Z=0.63090000
      -5: X=0.29130000 Y=0.39450000 Z=0.36910000
C          NPT=  781  R0=.000100000 RMT= 1.44        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000