P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.741419 31.186150 15.883148 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08881000 Y=0.10371000 Z=0.33936000
          MULT= 8          ISPLIT= 8
      -1: X=0.91119000 Y=0.89629000 Z=0.66064000
      -1: X=0.58881000 Y=0.10371000 Z=0.16064000
      -1: X=0.41119000 Y=0.89629000 Z=0.83936000
      -1: X=0.41119000 Y=0.60371000 Z=0.83936000
      -1: X=0.58881000 Y=0.39629000 Z=0.16064000
      -1: X=0.91119000 Y=0.60371000 Z=0.66064000
      -1: X=0.08881000 Y=0.39629000 Z=0.33936000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.07305000 Y=0.60223000 Z=0.16738000
          MULT= 8          ISPLIT= 8
      -2: X=0.92695000 Y=0.39777000 Z=0.83262000
      -2: X=0.57305000 Y=0.60223000 Z=0.33262000
      -2: X=0.42695000 Y=0.39777000 Z=0.66738000
      -2: X=0.42695000 Y=0.10223000 Z=0.66738000
      -2: X=0.57305000 Y=0.89777000 Z=0.33262000
      -2: X=0.92695000 Y=0.10223000 Z=0.83262000
      -2: X=0.07305000 Y=0.89777000 Z=0.16738000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.25436000 Y=0.25000000 Z=0.00215000
          MULT= 4          ISPLIT= 8
      -3: X=0.74564000 Y=0.75000000 Z=0.99785000
      -3: X=0.75436000 Y=0.25000000 Z=0.49785000
      -3: X=0.24564000 Y=0.75000000 Z=0.50215000
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  -4: X=0.25410000 Y=0.05270000 Z=0.00610000
          MULT= 8          ISPLIT= 8
      -4: X=0.74590000 Y=0.94730000 Z=0.99390000
      -4: X=0.75410000 Y=0.05270000 Z=0.49390000
      -4: X=0.24590000 Y=0.94730000 Z=0.50610000
      -4: X=0.24590000 Y=0.55270000 Z=0.50610000
      -4: X=0.75410000 Y=0.44730000 Z=0.49390000
      -4: X=0.74590000 Y=0.55270000 Z=0.99390000
      -4: X=0.25410000 Y=0.44730000 Z=0.00610000
P          NPT=  781  R0=.000100000 RMT= 2.16        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.15800000 Y=0.25000000 Z=0.59990000
          MULT= 4          ISPLIT= 8
      -5: X=0.84200000 Y=0.75000000 Z=0.40010000
      -5: X=0.65800000 Y=0.25000000 Z=0.90010000
      -5: X=0.34200000 Y=0.75000000 Z=0.09990000
P          NPT=  781  R0=.000100000 RMT= 2.16        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.35510000 Y=0.25000000 Z=0.40760000
          MULT= 4          ISPLIT= 8
      -6: X=0.64490000 Y=0.75000000 Z=0.59240000
      -6: X=0.85510000 Y=0.25000000 Z=0.09240000
      -6: X=0.14490000 Y=0.75000000 Z=0.90760000
P          NPT=  781  R0=.000100000 RMT= 2.16        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000