P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.750791 12.006942 13.037221 90.000000 90.000000 95.915000                   
ATOM  -1: X=0.04887000 Y=0.69765000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.95113000 Y=0.30235000 Z=0.75000000
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=0.63894000 Y=0.92569000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.36106000 Y=0.07431000 Z=0.75000000
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=0.91320000 Y=0.15651000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.08680000 Y=0.84349000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.44864000 Y=0.50044000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.55136000 Y=0.49956000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.02        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=0.22435000 Y=0.16230000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.77565000 Y=0.83770000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.02        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  -6: X=0.40608000 Y=0.16237000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.59392000 Y=0.83763000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.02        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  -7: X=0.19903000 Y=0.36747000 Z=0.00416000
          MULT= 4          ISPLIT= 8
      -7: X=0.80097000 Y=0.63253000 Z=0.99584000
      -7: X=0.80097000 Y=0.63253000 Z=0.50416000
      -7: X=0.19903000 Y=0.36747000 Z=0.49584000
P          NPT=  781  R0=.000100000 RMT= 2.02        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  -8: X=0.31487000 Y=0.63584000 Z=0.08040000
          MULT= 4          ISPLIT= 8
      -8: X=0.68513000 Y=0.36416000 Z=0.91960000
      -8: X=0.68513000 Y=0.36416000 Z=0.58040000
      -8: X=0.31487000 Y=0.63584000 Z=0.41960000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000