P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.140539 11.023906 15.592130 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.30259000 Y=0.25000000 Z=0.51092000
          MULT= 4          ISPLIT= 8
      -1: X=0.69741000 Y=0.75000000 Z=0.48908000
      -1: X=0.80259000 Y=0.25000000 Z=0.98908000
      -1: X=0.19741000 Y=0.75000000 Z=0.01092000
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  -2: X=0.07518000 Y=0.25000000 Z=0.21401000
          MULT= 4          ISPLIT= 8
      -2: X=0.92482000 Y=0.75000000 Z=0.78599000
      -2: X=0.57518000 Y=0.25000000 Z=0.28599000
      -2: X=0.42482000 Y=0.75000000 Z=0.71401000
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=0.09259000 Y=0.25000000 Z=0.78778000
          MULT= 4          ISPLIT= 8
      -3: X=0.90741000 Y=0.75000000 Z=0.21222000
      -3: X=0.59259000 Y=0.25000000 Z=0.71222000
      -3: X=0.40741000 Y=0.75000000 Z=0.28778000
In         NPT=  781  R0=.000010000 RMT= 2.16        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=0.36940000 Y=0.25000000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -4: X=0.63060000 Y=0.75000000 Z=0.99500000
      -4: X=0.86940000 Y=0.25000000 Z=0.49500000
      -4: X=0.13060000 Y=0.75000000 Z=0.50500000
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  -5: X=0.29865000 Y=0.00560000 Z=0.36620000
          MULT= 8          ISPLIT= 8
      -5: X=0.70135000 Y=0.99440000 Z=0.63380000
      -5: X=0.79865000 Y=0.00560000 Z=0.13380000
      -5: X=0.20135000 Y=0.99440000 Z=0.86620000
      -5: X=0.20135000 Y=0.50560000 Z=0.86620000
      -5: X=0.79865000 Y=0.49440000 Z=0.13380000
      -5: X=0.70135000 Y=0.50560000 Z=0.63380000
      -5: X=0.29865000 Y=0.49440000 Z=0.36620000
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=0.16390000 Y=0.25000000 Z=0.55180000
          MULT= 4          ISPLIT= 8
      -6: X=0.83610000 Y=0.75000000 Z=0.44820000
      -6: X=0.66390000 Y=0.25000000 Z=0.94820000
      -6: X=0.33610000 Y=0.75000000 Z=0.05180000
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=0.00599000 Y=0.00720000 Z=0.30630000
          MULT= 8          ISPLIT= 8
      -7: X=0.99401000 Y=0.99280000 Z=0.69370000
      -7: X=0.50599000 Y=0.00720000 Z=0.19370000
      -7: X=0.49401000 Y=0.99280000 Z=0.80630000
      -7: X=0.49401000 Y=0.50720000 Z=0.80630000
      -7: X=0.50599000 Y=0.49280000 Z=0.19370000
      -7: X=0.99401000 Y=0.50720000 Z=0.69370000
      -7: X=0.00599000 Y=0.49280000 Z=0.30630000
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=0.01230000 Y=0.25000000 Z=0.01180000
          MULT= 4          ISPLIT= 8
      -8: X=0.98770000 Y=0.75000000 Z=0.98820000
      -8: X=0.51230000 Y=0.25000000 Z=0.48820000
      -8: X=0.48770000 Y=0.75000000 Z=0.51180000
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