P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 37.758618 15.665830 17.160603 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.54320000 Y=0.25000000 Z=0.57914000
          MULT= 4          ISPLIT= 8
      -1: X=0.45680000 Y=0.75000000 Z=0.42086000
      -1: X=0.04320000 Y=0.25000000 Z=0.92086000
      -1: X=0.95680000 Y=0.75000000 Z=0.07914000
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  -2: X=0.18771000 Y=0.25000000 Z=0.50313000
          MULT= 4          ISPLIT= 8
      -2: X=0.81229000 Y=0.75000000 Z=0.49687000
      -2: X=0.68771000 Y=0.25000000 Z=0.99687000
      -2: X=0.31229000 Y=0.75000000 Z=0.00313000
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  -3: X=0.21667000 Y=0.25000000 Z=0.10238000
          MULT= 4          ISPLIT= 8
      -3: X=0.78333000 Y=0.75000000 Z=0.89762000
      -3: X=0.71667000 Y=0.25000000 Z=0.39762000
      -3: X=0.28333000 Y=0.75000000 Z=0.60238000
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  -4: X=0.44438000 Y=0.25000000 Z=0.07636000
          MULT= 4          ISPLIT= 8
      -4: X=0.55562000 Y=0.75000000 Z=0.92364000
      -4: X=0.94438000 Y=0.25000000 Z=0.42364000
      -4: X=0.05562000 Y=0.75000000 Z=0.57636000
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=0.34798000 Y=0.25000000 Z=0.68558000
          MULT= 4          ISPLIT= 8
      -5: X=0.65202000 Y=0.75000000 Z=0.31442000
      -5: X=0.84798000 Y=0.25000000 Z=0.81442000
      -5: X=0.15202000 Y=0.75000000 Z=0.18558000
As         NPT=  781  R0=.000050000 RMT= 2.32        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.38722000 Y=0.25000000 Z=0.42707000
          MULT= 4          ISPLIT= 8
      -6: X=0.61278000 Y=0.75000000 Z=0.57293000
      -6: X=0.88722000 Y=0.25000000 Z=0.07293000
      -6: X=0.11278000 Y=0.75000000 Z=0.92707000
As         NPT=  781  R0=.000050000 RMT= 2.32        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.08205000 Y=0.00115000 Z=0.26068000
          MULT= 8          ISPLIT= 8
      -7: X=0.91795000 Y=0.99885000 Z=0.73932000
      -7: X=0.58205000 Y=0.00115000 Z=0.23932000
      -7: X=0.41795000 Y=0.99885000 Z=0.76068000
      -7: X=0.41795000 Y=0.50115000 Z=0.76068000
      -7: X=0.58205000 Y=0.49885000 Z=0.23932000
      -7: X=0.91795000 Y=0.50115000 Z=0.73932000
      -7: X=0.08205000 Y=0.49885000 Z=0.26068000
Te         NPT=  781  R0=.000010000 RMT= 2.49        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.32078000 Y=0.00962000 Z=0.31896000
          MULT= 8          ISPLIT= 8
      -8: X=0.67922000 Y=0.99038000 Z=0.68104000
      -8: X=0.82078000 Y=0.00962000 Z=0.18104000
      -8: X=0.17922000 Y=0.99038000 Z=0.81896000
      -8: X=0.17922000 Y=0.50962000 Z=0.81896000
      -8: X=0.82078000 Y=0.49038000 Z=0.18104000
      -8: X=0.67922000 Y=0.50962000 Z=0.68104000
      -8: X=0.32078000 Y=0.49038000 Z=0.31896000
Te         NPT=  781  R0=.000010000 RMT= 2.49        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000