P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.696967 11.128786 19.483832 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49480000 Y=0.25000000 Z=0.69930000
          MULT= 4          ISPLIT= 8
      -1: X=0.50520000 Y=0.75000000 Z=0.30070000
      -1: X=0.99480000 Y=0.25000000 Z=0.80070000
      -1: X=0.00520000 Y=0.75000000 Z=0.19930000
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=0.16480000 Y=0.25000000 Z=0.41840000
          MULT= 4          ISPLIT= 8
      -2: X=0.83520000 Y=0.75000000 Z=0.58160000
      -2: X=0.66480000 Y=0.25000000 Z=0.08160000
      -2: X=0.33520000 Y=0.75000000 Z=0.91840000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22930000 Y=0.25000000 Z=0.08190000
          MULT= 4          ISPLIT= 8
      -3: X=0.77070000 Y=0.75000000 Z=0.91810000
      -3: X=0.72930000 Y=0.25000000 Z=0.41810000
      -3: X=0.27070000 Y=0.75000000 Z=0.58190000
As         NPT=  781  R0=.000050000 RMT= 1.66        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30840000 Y=0.25000000 Z=0.92900000
          MULT= 4          ISPLIT= 8
      -4: X=0.69160000 Y=0.75000000 Z=0.07100000
      -4: X=0.80840000 Y=0.25000000 Z=0.57100000
      -4: X=0.19160000 Y=0.75000000 Z=0.42900000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.29740000 Y=0.01560000 Z=0.15930000
          MULT= 8          ISPLIT= 8
      -5: X=0.70260000 Y=0.98440000 Z=0.84070000
      -5: X=0.79740000 Y=0.01560000 Z=0.34070000
      -5: X=0.20260000 Y=0.98440000 Z=0.65930000
      -5: X=0.20260000 Y=0.51560000 Z=0.65930000
      -5: X=0.79740000 Y=0.48440000 Z=0.34070000
      -5: X=0.70260000 Y=0.51560000 Z=0.84070000
      -5: X=0.29740000 Y=0.48440000 Z=0.15930000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.01350000 Y=0.25000000 Z=0.07680000
          MULT= 4          ISPLIT= 8
      -6: X=0.98650000 Y=0.75000000 Z=0.92320000
      -6: X=0.51350000 Y=0.25000000 Z=0.42320000
      -6: X=0.48650000 Y=0.75000000 Z=0.57680000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000