P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.013609  9.292728  8.833714 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.79684000 Z=0.09050000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.20316000 Z=0.59050000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.24892000 Y=0.16930000 Z=0.08490000
          MULT= 4          ISPLIT= 8
      -2: X=0.25108000 Y=0.83070000 Z=0.58490000
      -2: X=0.75108000 Y=0.16930000 Z=0.08490000
      -2: X=0.74892000 Y=0.83070000 Z=0.58490000
Be         NPT=  781  R0=.000100000 RMT= 1.38        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12826000 Y=0.32472000 Z=0.56920000
          MULT= 4          ISPLIT= 8
      -3: X=0.37174000 Y=0.67528000 Z=0.06920000
      -3: X=0.87174000 Y=0.32472000 Z=0.56920000
      -3: X=0.62826000 Y=0.67528000 Z=0.06920000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36105000 Y=0.35600000 Z=0.13670000
          MULT= 4          ISPLIT= 8
      -4: X=0.13895000 Y=0.64400000 Z=0.63670000
      -4: X=0.63895000 Y=0.35600000 Z=0.13670000
      -4: X=0.86105000 Y=0.64400000 Z=0.63670000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -5: X=0.22301000 Y=0.13400000 Z=0.72980000
          MULT= 4          ISPLIT= 8
      -5: X=0.27699000 Y=0.86600000 Z=0.22980000
      -5: X=0.77699000 Y=0.13400000 Z=0.72980000
      -5: X=0.72301000 Y=0.86600000 Z=0.22980000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.00000000 Y=0.22360000 Z=0.67930000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.77640000 Z=0.17930000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.13272000 Y=0.27050000 Z=0.22840000
          MULT= 4          ISPLIT= 8
      -7: X=0.36728000 Y=0.72950000 Z=0.72840000
      -7: X=0.86728000 Y=0.27050000 Z=0.22840000
      -7: X=0.63272000 Y=0.72950000 Z=0.72840000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000