P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.836336  7.727657 31.571655 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.54283000 Y=0.25000000 Z=0.61052000
          MULT= 4          ISPLIT= 8
      -1: X=0.45717000 Y=0.75000000 Z=0.38948000
      -1: X=0.04283000 Y=0.25000000 Z=0.88948000
      -1: X=0.95717000 Y=0.75000000 Z=0.11052000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.06245000 Y=0.25000000 Z=0.27815000
          MULT= 4          ISPLIT= 8
      -2: X=0.93755000 Y=0.75000000 Z=0.72185000
      -2: X=0.56245000 Y=0.25000000 Z=0.22185000
      -2: X=0.43755000 Y=0.75000000 Z=0.77815000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.24027000 Y=0.25000000 Z=0.50210000
          MULT= 4          ISPLIT= 8
      -3: X=0.75973000 Y=0.75000000 Z=0.49790000
      -3: X=0.74027000 Y=0.25000000 Z=0.99790000
      -3: X=0.25973000 Y=0.75000000 Z=0.00210000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.39286000 Y=0.25000000 Z=0.13975000
          MULT= 4          ISPLIT= 8
      -4: X=0.60714000 Y=0.75000000 Z=0.86025000
      -4: X=0.89286000 Y=0.25000000 Z=0.36025000
      -4: X=0.10714000 Y=0.75000000 Z=0.63975000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.10806000 Y=0.25000000 Z=0.04080000
          MULT= 4          ISPLIT= 8
      -5: X=0.89194000 Y=0.75000000 Z=0.95920000
      -5: X=0.60806000 Y=0.25000000 Z=0.45920000
      -5: X=0.39194000 Y=0.75000000 Z=0.54080000
Se         NPT=  781  R0=.000050000 RMT= 2.38        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=0.22002000 Y=0.25000000 Z=0.66588000
          MULT= 4          ISPLIT= 8
      -6: X=0.77998000 Y=0.75000000 Z=0.33412000
      -6: X=0.72002000 Y=0.25000000 Z=0.83412000
      -6: X=0.27998000 Y=0.75000000 Z=0.16588000
Se         NPT=  781  R0=.000050000 RMT= 2.38        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=0.32093000 Y=0.25000000 Z=0.35705000
          MULT= 4          ISPLIT= 8
      -7: X=0.67907000 Y=0.75000000 Z=0.64295000
      -7: X=0.82093000 Y=0.25000000 Z=0.14295000
      -7: X=0.17907000 Y=0.75000000 Z=0.85705000
Se         NPT=  781  R0=.000050000 RMT= 2.38        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=0.88775000 Y=0.25000000 Z=0.51611000
          MULT= 4          ISPLIT= 8
      -8: X=0.11225000 Y=0.75000000 Z=0.48389000
      -8: X=0.38775000 Y=0.25000000 Z=0.98389000
      -8: X=0.61225000 Y=0.75000000 Z=0.01611000
Se         NPT=  781  R0=.000050000 RMT= 2.38        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000