P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.080916 10.866492 18.971906 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17280000 Y=0.25000000 Z=0.41059000
          MULT= 4          ISPLIT= 8
      -1: X=0.82720000 Y=0.75000000 Z=0.58941000
      -1: X=0.67280000 Y=0.25000000 Z=0.08941000
      -1: X=0.32720000 Y=0.75000000 Z=0.91059000
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  -2: X=0.48904000 Y=0.25000000 Z=0.70373000
          MULT= 4          ISPLIT= 8
      -2: X=0.51096000 Y=0.75000000 Z=0.29627000
      -2: X=0.98904000 Y=0.25000000 Z=0.79627000
      -2: X=0.01096000 Y=0.75000000 Z=0.20373000
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  -3: X=0.23271000 Y=0.25000000 Z=0.08007000
          MULT= 4          ISPLIT= 8
      -3: X=0.76729000 Y=0.75000000 Z=0.91993000
      -3: X=0.73271000 Y=0.25000000 Z=0.41993000
      -3: X=0.26729000 Y=0.75000000 Z=0.58007000
S          NPT=  781  R0=.000100000 RMT= 1.34        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.03600000 Y=0.25000000 Z=0.08290000
          MULT= 4          ISPLIT= 8
      -4: X=0.96400000 Y=0.75000000 Z=0.91710000
      -4: X=0.53600000 Y=0.25000000 Z=0.41710000
      -4: X=0.46400000 Y=0.75000000 Z=0.58290000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -5: X=0.79810000 Y=0.25000000 Z=0.55910000
          MULT= 4          ISPLIT= 8
      -5: X=0.20190000 Y=0.75000000 Z=0.44090000
      -5: X=0.29810000 Y=0.25000000 Z=0.94090000
      -5: X=0.70190000 Y=0.75000000 Z=0.05910000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -6: X=0.30150000 Y=0.04060000 Z=0.14800000
          MULT= 8          ISPLIT= 8
      -6: X=0.69850000 Y=0.95940000 Z=0.85200000
      -6: X=0.80150000 Y=0.04060000 Z=0.35200000
      -6: X=0.19850000 Y=0.95940000 Z=0.64800000
      -6: X=0.19850000 Y=0.54060000 Z=0.64800000
      -6: X=0.80150000 Y=0.45940000 Z=0.35200000
      -6: X=0.69850000 Y=0.54060000 Z=0.85200000
      -6: X=0.30150000 Y=0.45940000 Z=0.14800000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000