P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.035400 11.235556 22.965275 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25740000 Y=0.25000000 Z=0.36850000
          MULT= 4          ISPLIT= 8
      -1: X=0.74260000 Y=0.75000000 Z=0.63150000
      -1: X=0.75740000 Y=0.25000000 Z=0.13150000
      -1: X=0.24260000 Y=0.75000000 Z=0.86850000
Ta         NPT=  781  R0=.000005000 RMT= 1.95        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12810000 Y=0.25000000 Z=0.04940000
          MULT= 4          ISPLIT= 8
      -2: X=0.87190000 Y=0.75000000 Z=0.95060000
      -2: X=0.62810000 Y=0.25000000 Z=0.45060000
      -2: X=0.37190000 Y=0.75000000 Z=0.54940000
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=0.03620000 Y=0.25000000 Z=0.67180000
          MULT= 4          ISPLIT= 8
      -3: X=0.96380000 Y=0.75000000 Z=0.32820000
      -3: X=0.53620000 Y=0.25000000 Z=0.82820000
      -3: X=0.46380000 Y=0.75000000 Z=0.17180000
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  -4: X=0.14050000 Y=0.03360000 Z=0.44520000
          MULT= 8          ISPLIT= 8
      -4: X=0.85950000 Y=0.96640000 Z=0.55480000
      -4: X=0.64050000 Y=0.03360000 Z=0.05480000
      -4: X=0.35950000 Y=0.96640000 Z=0.94520000
      -4: X=0.35950000 Y=0.53360000 Z=0.94520000
      -4: X=0.64050000 Y=0.46640000 Z=0.05480000
      -4: X=0.85950000 Y=0.53360000 Z=0.55480000
      -4: X=0.14050000 Y=0.46640000 Z=0.44520000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.40730000 Y=0.03340000 Z=0.35410000
          MULT= 8          ISPLIT= 8
      -5: X=0.59270000 Y=0.96660000 Z=0.64590000
      -5: X=0.90730000 Y=0.03340000 Z=0.14590000
      -5: X=0.09270000 Y=0.96660000 Z=0.85410000
      -5: X=0.09270000 Y=0.53340000 Z=0.85410000
      -5: X=0.90730000 Y=0.46660000 Z=0.14590000
      -5: X=0.59270000 Y=0.53340000 Z=0.64590000
      -5: X=0.40730000 Y=0.46660000 Z=0.35410000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.20000000 Y=0.04770000 Z=0.24770000
          MULT= 8          ISPLIT= 8
      -6: X=0.80000000 Y=0.95230000 Z=0.75230000
      -6: X=0.70000000 Y=0.04770000 Z=0.25230000
      -6: X=0.30000000 Y=0.95230000 Z=0.74770000
      -6: X=0.30000000 Y=0.54770000 Z=0.74770000
      -6: X=0.70000000 Y=0.45230000 Z=0.25230000
      -6: X=0.80000000 Y=0.54770000 Z=0.75230000
      -6: X=0.20000000 Y=0.45230000 Z=0.24770000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33660000 Y=0.25000000 Z=0.52010000
          MULT= 4          ISPLIT= 8
      -7: X=0.66340000 Y=0.75000000 Z=0.47990000
      -7: X=0.83660000 Y=0.25000000 Z=0.97990000
      -7: X=0.16340000 Y=0.75000000 Z=0.02010000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000