P   LATTICE,NONEQUIV.ATOMS   9   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 43.633776  7.602368 21.505083 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09000000 Y=0.25000000 Z=0.35700000
          MULT= 4          ISPLIT= 8
      -1: X=0.91000000 Y=0.75000000 Z=0.64300000
      -1: X=0.59000000 Y=0.25000000 Z=0.14300000
      -1: X=0.41000000 Y=0.75000000 Z=0.85700000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.19700000 Y=0.25000000 Z=0.04500000
          MULT= 4          ISPLIT= 8
      -2: X=0.80300000 Y=0.75000000 Z=0.95500000
      -2: X=0.69700000 Y=0.25000000 Z=0.45500000
      -2: X=0.30300000 Y=0.75000000 Z=0.54500000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.17500000 Y=0.25000000 Z=0.70100000
          MULT= 4          ISPLIT= 8
      -3: X=0.82500000 Y=0.75000000 Z=0.29900000
      -3: X=0.67500000 Y=0.25000000 Z=0.79900000
      -3: X=0.32500000 Y=0.75000000 Z=0.20100000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.44600000 Y=0.25000000 Z=0.39000000
          MULT= 4          ISPLIT= 8
      -4: X=0.55400000 Y=0.75000000 Z=0.61000000
      -4: X=0.94600000 Y=0.25000000 Z=0.11000000
      -4: X=0.05400000 Y=0.75000000 Z=0.89000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.30200000 Y=0.25000000 Z=0.69800000
          MULT= 4          ISPLIT= 8
      -5: X=0.69800000 Y=0.75000000 Z=0.30200000
      -5: X=0.80200000 Y=0.25000000 Z=0.80200000
      -5: X=0.19800000 Y=0.75000000 Z=0.19800000
Se         NPT=  781  R0=.000050000 RMT= 2.44        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=0.31600000 Y=0.25000000 Z=0.37400000
          MULT= 4          ISPLIT= 8
      -6: X=0.68400000 Y=0.75000000 Z=0.62600000
      -6: X=0.81600000 Y=0.25000000 Z=0.12600000
      -6: X=0.18400000 Y=0.75000000 Z=0.87400000
Se         NPT=  781  R0=.000050000 RMT= 2.44        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=0.32400000 Y=0.25000000 Z=0.04700000
          MULT= 4          ISPLIT= 8
      -7: X=0.67600000 Y=0.75000000 Z=0.95300000
      -7: X=0.82400000 Y=0.25000000 Z=0.45300000
      -7: X=0.17600000 Y=0.75000000 Z=0.54700000
Se         NPT=  781  R0=.000050000 RMT= 2.44        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=0.04800000 Y=0.25000000 Z=0.73100000
          MULT= 4          ISPLIT= 8
      -8: X=0.95200000 Y=0.75000000 Z=0.26900000
      -8: X=0.54800000 Y=0.25000000 Z=0.76900000
      -8: X=0.45200000 Y=0.75000000 Z=0.23100000
Se         NPT=  781  R0=.000050000 RMT= 2.44        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=0.06900000 Y=0.25000000 Z=0.05300000
          MULT= 4          ISPLIT= 8
      -9: X=0.93100000 Y=0.75000000 Z=0.94700000
      -9: X=0.56900000 Y=0.25000000 Z=0.44700000
      -9: X=0.43100000 Y=0.75000000 Z=0.55300000
Se         NPT=  781  R0=.000050000 RMT= 2.44        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000