P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 16.426066 21.645301 13.253027 90.000000 90.000000 90.000000
ATOM  -1: X=0.17423000 Y=0.05033000 Z=0.15320000
          MULT= 8          ISPLIT=15
      -1: X=0.82577000 Y=0.94967000 Z=0.84680000
      -1: X=0.67423000 Y=0.05033000 Z=0.34680000
      -1: X=0.32577000 Y=0.94967000 Z=0.65320000
      -1: X=0.32577000 Y=0.55033000 Z=0.65320000
      -1: X=0.67423000 Y=0.44967000 Z=0.34680000
      -1: X=0.82577000 Y=0.55033000 Z=0.84680000
      -1: X=0.17423000 Y=0.44967000 Z=0.15320000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03410000 Y=0.25000000 Z=0.64070000
          MULT= 4          ISPLIT=15
      -2: X=0.96590000 Y=0.75000000 Z=0.35930000
      -2: X=0.53410000 Y=0.25000000 Z=0.85930000
      -2: X=0.46590000 Y=0.75000000 Z=0.14070000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00370000 Y=0.59900000 Z=0.07610000
          MULT= 8          ISPLIT=15
      -3: X=0.99630000 Y=0.40100000 Z=0.92390000
      -3: X=0.50370000 Y=0.59900000 Z=0.42390000
      -3: X=0.49630000 Y=0.40100000 Z=0.57610000
      -3: X=0.49630000 Y=0.09900000 Z=0.57610000
      -3: X=0.50370000 Y=0.90100000 Z=0.42390000
      -3: X=0.99630000 Y=0.09900000 Z=0.92390000
      -3: X=0.00370000 Y=0.90100000 Z=0.07610000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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  -4: X=0.20900000 Y=0.09600000 Z=0.47120000
          MULT= 8          ISPLIT=15
      -4: X=0.79100000 Y=0.90400000 Z=0.52880000
      -4: X=0.70900000 Y=0.09600000 Z=0.02880000
      -4: X=0.29100000 Y=0.90400000 Z=0.97120000
      -4: X=0.29100000 Y=0.59600000 Z=0.97120000
      -4: X=0.70900000 Y=0.40400000 Z=0.02880000
      -4: X=0.79100000 Y=0.59600000 Z=0.52880000
      -4: X=0.20900000 Y=0.40400000 Z=0.47120000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.21650000 Y=0.60700000 Z=0.35530000
          MULT= 8          ISPLIT=15
      -5: X=0.78350000 Y=0.39300000 Z=0.64470000
      -5: X=0.71650000 Y=0.60700000 Z=0.14470000
      -5: X=0.28350000 Y=0.39300000 Z=0.85530000
      -5: X=0.28350000 Y=0.10700000 Z=0.85530000
      -5: X=0.71650000 Y=0.89300000 Z=0.14470000
      -5: X=0.78350000 Y=0.10700000 Z=0.64470000
      -5: X=0.21650000 Y=0.89300000 Z=0.35530000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.43440000 Y=0.08010000 Z=0.19730000
          MULT= 8          ISPLIT=15
      -6: X=0.56560000 Y=0.91990000 Z=0.80270000
      -6: X=0.93440000 Y=0.08010000 Z=0.30270000
      -6: X=0.06560000 Y=0.91990000 Z=0.69730000
      -6: X=0.06560000 Y=0.58010000 Z=0.69730000
      -6: X=0.93440000 Y=0.41990000 Z=0.30270000
      -6: X=0.56560000 Y=0.58010000 Z=0.80270000
      -6: X=0.43440000 Y=0.41990000 Z=0.19730000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.17420000 Y=0.25000000 Z=0.16220000
          MULT= 4          ISPLIT=15
      -7: X=0.82580000 Y=0.75000000 Z=0.83780000
      -7: X=0.67420000 Y=0.25000000 Z=0.33780000
      -7: X=0.32580000 Y=0.75000000 Z=0.66220000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000