P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.942349 11.416591 16.312116 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36511000 Y=0.25000000 Z=0.00651000
          MULT= 4          ISPLIT= 8
      -1: X=0.63489000 Y=0.75000000 Z=0.99349000
      -1: X=0.86511000 Y=0.25000000 Z=0.49349000
      -1: X=0.13489000 Y=0.75000000 Z=0.50651000
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=0.30477000 Y=0.25000000 Z=0.50483000
          MULT= 4          ISPLIT= 8
      -2: X=0.69523000 Y=0.75000000 Z=0.49517000
      -2: X=0.80477000 Y=0.25000000 Z=0.99517000
      -2: X=0.19523000 Y=0.75000000 Z=0.00483000
Te         NPT=  781  R0=.000010000 RMT= 1.87        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.07759000 Y=0.25000000 Z=0.21768000
          MULT= 4          ISPLIT= 8
      -3: X=0.92241000 Y=0.75000000 Z=0.78232000
      -3: X=0.57759000 Y=0.25000000 Z=0.28232000
      -3: X=0.42241000 Y=0.75000000 Z=0.71768000
Te         NPT=  781  R0=.000010000 RMT= 1.87        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.09215000 Y=0.25000000 Z=0.78759000
          MULT= 4          ISPLIT= 8
      -4: X=0.90785000 Y=0.75000000 Z=0.21241000
      -4: X=0.59215000 Y=0.25000000 Z=0.71241000
      -4: X=0.40785000 Y=0.75000000 Z=0.28759000
Y          NPT=  781  R0=.000010000 RMT= 2.21        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  -5: X=0.30189000 Y=0.01380000 Z=0.36820000
          MULT= 8          ISPLIT= 8
      -5: X=0.69811000 Y=0.98620000 Z=0.63180000
      -5: X=0.80189000 Y=0.01380000 Z=0.13180000
      -5: X=0.19811000 Y=0.98620000 Z=0.86820000
      -5: X=0.19811000 Y=0.51380000 Z=0.86820000
      -5: X=0.80189000 Y=0.48620000 Z=0.13180000
      -5: X=0.69811000 Y=0.51380000 Z=0.63180000
      -5: X=0.30189000 Y=0.48620000 Z=0.36820000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.17250000 Y=0.25000000 Z=0.55740000
          MULT= 4          ISPLIT= 8
      -6: X=0.82750000 Y=0.75000000 Z=0.44260000
      -6: X=0.67250000 Y=0.25000000 Z=0.94260000
      -6: X=0.32750000 Y=0.75000000 Z=0.05740000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.00919000 Y=0.01410000 Z=0.30130000
          MULT= 8          ISPLIT= 8
      -7: X=0.99081000 Y=0.98590000 Z=0.69870000
      -7: X=0.50919000 Y=0.01410000 Z=0.19870000
      -7: X=0.49081000 Y=0.98590000 Z=0.80130000
      -7: X=0.49081000 Y=0.51410000 Z=0.80130000
      -7: X=0.50919000 Y=0.48590000 Z=0.19870000
      -7: X=0.99081000 Y=0.51410000 Z=0.69870000
      -7: X=0.00919000 Y=0.48590000 Z=0.30130000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.02210000 Y=0.25000000 Z=0.02150000
          MULT= 4          ISPLIT= 8
      -8: X=0.97790000 Y=0.75000000 Z=0.97850000
      -8: X=0.52210000 Y=0.25000000 Z=0.47850000
      -8: X=0.47790000 Y=0.75000000 Z=0.52150000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000