P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.291717 10.776541 16.395075 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09738000 Y=0.25000000 Z=0.80878000
          MULT= 4          ISPLIT= 8
      -1: X=0.90262000 Y=0.75000000 Z=0.19122000
      -1: X=0.59738000 Y=0.25000000 Z=0.69122000
      -1: X=0.40262000 Y=0.75000000 Z=0.30878000
Y          NPT=  781  R0=.000010000 RMT= 2.17        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.29489000 Y=0.25000000 Z=0.51252000
          MULT= 4          ISPLIT= 8
      -2: X=0.70511000 Y=0.75000000 Z=0.48748000
      -2: X=0.79489000 Y=0.25000000 Z=0.98748000
      -2: X=0.20511000 Y=0.75000000 Z=0.01252000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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  -3: X=0.06839000 Y=0.25000000 Z=0.22084000
          MULT= 4          ISPLIT= 8
      -3: X=0.93161000 Y=0.75000000 Z=0.77916000
      -3: X=0.56839000 Y=0.25000000 Z=0.27916000
      -3: X=0.43161000 Y=0.75000000 Z=0.72084000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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  -4: X=0.87469000 Y=0.25000000 Z=0.50420000
          MULT= 4          ISPLIT= 8
      -4: X=0.12531000 Y=0.75000000 Z=0.49580000
      -4: X=0.37469000 Y=0.25000000 Z=0.99580000
      -4: X=0.62531000 Y=0.75000000 Z=0.00420000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.29170000 Y=0.01950000 Z=0.39090000
          MULT= 8          ISPLIT= 8
      -5: X=0.70830000 Y=0.98050000 Z=0.60910000
      -5: X=0.79170000 Y=0.01950000 Z=0.10910000
      -5: X=0.20830000 Y=0.98050000 Z=0.89090000
      -5: X=0.20830000 Y=0.51950000 Z=0.89090000
      -5: X=0.79170000 Y=0.48050000 Z=0.10910000
      -5: X=0.70830000 Y=0.51950000 Z=0.60910000
      -5: X=0.29170000 Y=0.48050000 Z=0.39090000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.17630000 Y=0.25000000 Z=0.57880000
          MULT= 4          ISPLIT= 8
      -6: X=0.82370000 Y=0.75000000 Z=0.42120000
      -6: X=0.67630000 Y=0.25000000 Z=0.92120000
      -6: X=0.32370000 Y=0.75000000 Z=0.07880000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00550000 Y=0.02120000 Z=0.29700000
          MULT= 8          ISPLIT= 8
      -7: X=0.99450000 Y=0.97880000 Z=0.70300000
      -7: X=0.50550000 Y=0.02120000 Z=0.20300000
      -7: X=0.49450000 Y=0.97880000 Z=0.79700000
      -7: X=0.49450000 Y=0.52120000 Z=0.79700000
      -7: X=0.50550000 Y=0.47880000 Z=0.20300000
      -7: X=0.99450000 Y=0.52120000 Z=0.70300000
      -7: X=0.00550000 Y=0.47880000 Z=0.29700000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -8: X=0.02550000 Y=0.25000000 Z=0.03710000
          MULT= 4          ISPLIT= 8
      -8: X=0.97450000 Y=0.75000000 Z=0.96290000
      -8: X=0.52550000 Y=0.25000000 Z=0.46290000
      -8: X=0.47450000 Y=0.75000000 Z=0.53710000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000