P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma    
MODE OF CALC=RELA unit=bohr
 14.133451 19.513312 13.553494 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.43615000 Y=0.25000000 Z=0.01749000
          MULT= 4          ISPLIT=15
      -2: X=0.56385000 Y=0.75000000 Z=0.98251000
      -2: X=0.93615000 Y=0.25000000 Z=0.48251000
      -2: X=0.06385000 Y=0.75000000 Z=0.51749000
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  -3: X=0.20106000 Y=0.04723000 Z=0.30126000
          MULT= 8          ISPLIT=15
      -3: X=0.79894000 Y=0.95277000 Z=0.69874000
      -3: X=0.70106000 Y=0.04723000 Z=0.19874000
      -3: X=0.29894000 Y=0.95277000 Z=0.80126000
      -3: X=0.29894000 Y=0.54723000 Z=0.80126000
      -3: X=0.70106000 Y=0.45277000 Z=0.19874000
      -3: X=0.79894000 Y=0.54723000 Z=0.69874000
      -3: X=0.20106000 Y=0.45277000 Z=0.30126000
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  -4: X=0.52300000 Y=0.25000000 Z=0.59100000
          MULT= 4          ISPLIT=15
      -4: X=0.47700000 Y=0.75000000 Z=0.40900000
      -4: X=0.02300000 Y=0.25000000 Z=0.90900000
      -4: X=0.97700000 Y=0.75000000 Z=0.09100000
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