P   LATTICE,NONEQUIV.ATOMS  12   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.505299  8.001100 37.992944 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20642000 Y=0.25000000 Z=0.46444000
          MULT= 4          ISPLIT= 8
      -1: X=0.79358000 Y=0.75000000 Z=0.53556000
      -1: X=0.70642000 Y=0.25000000 Z=0.03556000
      -1: X=0.29358000 Y=0.75000000 Z=0.96444000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.31710000 Y=0.25000000 Z=0.78309000
          MULT= 4          ISPLIT= 8
      -2: X=0.68290000 Y=0.75000000 Z=0.21691000
      -2: X=0.81710000 Y=0.25000000 Z=0.71691000
      -2: X=0.18290000 Y=0.75000000 Z=0.28309000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.57590000 Y=0.25000000 Z=0.62972000
          MULT= 4          ISPLIT= 8
      -3: X=0.42410000 Y=0.75000000 Z=0.37028000
      -3: X=0.07590000 Y=0.25000000 Z=0.87028000
      -3: X=0.92410000 Y=0.75000000 Z=0.12972000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.11620000 Y=0.25000000 Z=0.34826000
          MULT= 4          ISPLIT= 8
      -4: X=0.88380000 Y=0.75000000 Z=0.65174000
      -4: X=0.61620000 Y=0.25000000 Z=0.15174000
      -4: X=0.38380000 Y=0.75000000 Z=0.84826000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.13860000 Y=0.25000000 Z=0.74739000
          MULT= 4          ISPLIT= 8
      -5: X=0.86140000 Y=0.75000000 Z=0.25261000
      -5: X=0.63860000 Y=0.25000000 Z=0.75261000
      -5: X=0.36140000 Y=0.75000000 Z=0.24739000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.35307000 Y=0.25000000 Z=0.03119000
          MULT= 4          ISPLIT= 8
      -6: X=0.64693000 Y=0.75000000 Z=0.96881000
      -6: X=0.85307000 Y=0.25000000 Z=0.46881000
      -6: X=0.14693000 Y=0.75000000 Z=0.53119000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.38615000 Y=0.25000000 Z=0.65675000
          MULT= 4          ISPLIT= 8
      -7: X=0.61385000 Y=0.75000000 Z=0.34325000
      -7: X=0.88615000 Y=0.25000000 Z=0.84325000
      -7: X=0.11385000 Y=0.75000000 Z=0.15675000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.39281000 Y=0.25000000 Z=0.44534000
          MULT= 4          ISPLIT= 8
      -8: X=0.60719000 Y=0.75000000 Z=0.55466000
      -8: X=0.89281000 Y=0.25000000 Z=0.05466000
      -8: X=0.10719000 Y=0.75000000 Z=0.94534000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.00098000 Y=0.25000000 Z=0.23326000
          MULT= 4          ISPLIT= 8
      -9: X=0.99902000 Y=0.75000000 Z=0.76674000
      -9: X=0.50098000 Y=0.25000000 Z=0.26674000
      -9: X=0.49902000 Y=0.75000000 Z=0.73326000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.00809000 Y=0.25000000 Z=0.58250000
          MULT= 4          ISPLIT= 8
     -10: X=0.99191000 Y=0.75000000 Z=0.41750000
     -10: X=0.50809000 Y=0.25000000 Z=0.91750000
     -10: X=0.49191000 Y=0.75000000 Z=0.08250000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -11: X=0.11215000 Y=0.25000000 Z=0.05172000
          MULT= 4          ISPLIT= 8
     -11: X=0.88785000 Y=0.75000000 Z=0.94828000
     -11: X=0.61215000 Y=0.25000000 Z=0.44828000
     -11: X=0.38785000 Y=0.75000000 Z=0.55172000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -12: X=0.27593000 Y=0.25000000 Z=0.16594000
          MULT= 4          ISPLIT= 8
     -12: X=0.72407000 Y=0.75000000 Z=0.83406000
     -12: X=0.77593000 Y=0.25000000 Z=0.33406000
     -12: X=0.22407000 Y=0.75000000 Z=0.66594000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000