P   LATTICE,NONEQUIV.ATOMS  11   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 53.187287 12.818957 12.120514 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18967000 Y=0.50000000 Z=0.28678000
          MULT= 4          ISPLIT= 8
      -1: X=0.81033000 Y=0.50000000 Z=0.71322000
      -1: X=0.68967000 Y=0.50000000 Z=0.71322000
      -1: X=0.31033000 Y=0.50000000 Z=0.28678000
Nb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.10571000 Y=0.28582000 Z=0.15885000
          MULT= 8          ISPLIT= 8
      -2: X=0.89429000 Y=0.71418000 Z=0.84115000
      -2: X=0.60571000 Y=0.28582000 Z=0.84115000
      -2: X=0.39429000 Y=0.71418000 Z=0.15885000
      -2: X=0.39429000 Y=0.28582000 Z=0.15885000
      -2: X=0.60571000 Y=0.71418000 Z=0.84115000
      -2: X=0.89429000 Y=0.28582000 Z=0.84115000
      -2: X=0.10571000 Y=0.71418000 Z=0.15885000
Nb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.65449000 Y=0.50000000 Z=0.06030000
          MULT= 4          ISPLIT= 8
      -3: X=0.34551000 Y=0.50000000 Z=0.93970000
      -3: X=0.15449000 Y=0.50000000 Z=0.93970000
      -3: X=0.84551000 Y=0.50000000 Z=0.06030000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.15087000 Y=0.24600000 Z=0.48106000
          MULT= 8          ISPLIT= 8
      -4: X=0.84913000 Y=0.75400000 Z=0.51894000
      -4: X=0.65087000 Y=0.24600000 Z=0.51894000
      -4: X=0.34913000 Y=0.75400000 Z=0.48106000
      -4: X=0.34913000 Y=0.24600000 Z=0.48106000
      -4: X=0.65087000 Y=0.75400000 Z=0.51894000
      -4: X=0.84913000 Y=0.24600000 Z=0.51894000
      -4: X=0.15087000 Y=0.75400000 Z=0.48106000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05109000 Y=0.50000000 Z=0.33890000
          MULT= 4          ISPLIT= 8
      -5: X=0.94891000 Y=0.50000000 Z=0.66110000
      -5: X=0.55109000 Y=0.50000000 Z=0.66110000
      -5: X=0.44891000 Y=0.50000000 Z=0.33890000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.50000000 Z=0.58330000
          MULT= 2          ISPLIT= 8
      -6: X=0.75000000 Y=0.50000000 Z=0.41670000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.25000000 Y=0.26130000 Z=0.13950000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.73870000 Z=0.86050000
      -7: X=0.75000000 Y=0.26130000 Z=0.86050000
      -7: X=0.25000000 Y=0.73870000 Z=0.13950000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.15365000 Y=0.00000000 Z=0.01520000
          MULT= 4          ISPLIT= 8
      -8: X=0.84635000 Y=0.00000000 Z=0.98480000
      -8: X=0.65365000 Y=0.00000000 Z=0.98480000
      -8: X=0.34635000 Y=0.00000000 Z=0.01520000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.05608000 Y=0.00000000 Z=0.31290000
          MULT= 4          ISPLIT= 8
      -9: X=0.94392000 Y=0.00000000 Z=0.68710000
      -9: X=0.55608000 Y=0.00000000 Z=0.68710000
      -9: X=0.44392000 Y=0.00000000 Z=0.31290000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.55566000 Y=0.25412000 Z=0.14021000
          MULT= 8          ISPLIT= 8
     -10: X=0.44434000 Y=0.74588000 Z=0.85979000
     -10: X=0.05566000 Y=0.25412000 Z=0.85979000
     -10: X=0.94434000 Y=0.74588000 Z=0.14021000
     -10: X=0.94434000 Y=0.25412000 Z=0.14021000
     -10: X=0.05566000 Y=0.74588000 Z=0.85979000
     -10: X=0.44434000 Y=0.25412000 Z=0.85979000
     -10: X=0.55566000 Y=0.74588000 Z=0.14021000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -11: X=0.50000000 Y=0.00000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 2.11        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000