P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 32.493841  8.738850 26.970171 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.62878000 Y=0.25000000 Z=0.61642000
          MULT= 4          ISPLIT= 8
      -1: X=0.37122000 Y=0.75000000 Z=0.38358000
      -1: X=0.12878000 Y=0.25000000 Z=0.88358000
      -1: X=0.87122000 Y=0.75000000 Z=0.11642000
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=0.34066000 Y=0.25000000 Z=0.71243000
          MULT= 4          ISPLIT= 8
      -2: X=0.65934000 Y=0.75000000 Z=0.28757000
      -2: X=0.84066000 Y=0.25000000 Z=0.78757000
      -2: X=0.15934000 Y=0.75000000 Z=0.21243000
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=0.35540000 Y=0.25000000 Z=0.04181000
          MULT= 4          ISPLIT= 8
      -3: X=0.64460000 Y=0.75000000 Z=0.95819000
      -3: X=0.85540000 Y=0.25000000 Z=0.45819000
      -3: X=0.14460000 Y=0.75000000 Z=0.54181000
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=0.03037000 Y=0.25000000 Z=0.11355000
          MULT= 4          ISPLIT= 8
      -4: X=0.96963000 Y=0.75000000 Z=0.88645000
      -4: X=0.53037000 Y=0.25000000 Z=0.38645000
      -4: X=0.46963000 Y=0.75000000 Z=0.61355000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00887000 Y=0.25000000 Z=0.63528000
          MULT= 4          ISPLIT= 8
      -5: X=0.99113000 Y=0.75000000 Z=0.36472000
      -5: X=0.50887000 Y=0.25000000 Z=0.86472000
      -5: X=0.49113000 Y=0.75000000 Z=0.13528000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.27237000 Y=0.25000000 Z=0.50443000
          MULT= 4          ISPLIT= 8
      -6: X=0.72763000 Y=0.75000000 Z=0.49557000
      -6: X=0.77237000 Y=0.25000000 Z=0.99557000
      -6: X=0.22763000 Y=0.75000000 Z=0.00443000
P          NPT=  781  R0=.000100000 RMT= 1.99        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  -7: X=0.28969000 Y=0.25000000 Z=0.24952000
          MULT= 4          ISPLIT= 8
      -7: X=0.71031000 Y=0.75000000 Z=0.75048000
      -7: X=0.78969000 Y=0.25000000 Z=0.25048000
      -7: X=0.21031000 Y=0.75000000 Z=0.74952000
P          NPT=  781  R0=.000100000 RMT= 1.99        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  -8: X=0.21250000 Y=0.25000000 Z=0.37480000
          MULT= 4          ISPLIT= 8
      -8: X=0.78750000 Y=0.75000000 Z=0.62520000
      -8: X=0.71250000 Y=0.25000000 Z=0.12520000
      -8: X=0.28750000 Y=0.75000000 Z=0.87480000
P          NPT=  781  R0=.000100000 RMT= 1.99        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000