P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.957063 15.155604 13.473747 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49870000 Y=0.25000000 Z=0.76350000
          MULT= 4          ISPLIT= 8
      -1: X=0.50130000 Y=0.75000000 Z=0.23650000
      -1: X=0.99870000 Y=0.25000000 Z=0.73650000
      -1: X=0.00130000 Y=0.75000000 Z=0.26350000
Se         NPT=  781  R0=.000050000 RMT= 1.58        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  -2: X=0.02070000 Y=0.25000000 Z=0.51440000
          MULT= 4          ISPLIT= 8
      -2: X=0.97930000 Y=0.75000000 Z=0.48560000
      -2: X=0.52070000 Y=0.25000000 Z=0.98560000
      -2: X=0.47930000 Y=0.75000000 Z=0.01440000
O          NPT=  781  R0=.000100000 RMT= 1.43        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  -3: X=0.15500000 Y=0.25000000 Z=0.30170000
          MULT= 4          ISPLIT= 8
      -3: X=0.84500000 Y=0.75000000 Z=0.69830000
      -3: X=0.65500000 Y=0.25000000 Z=0.19830000
      -3: X=0.34500000 Y=0.75000000 Z=0.80170000
Nb         NPT=  781  R0=.000010000 RMT= 1.73        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.02190000 Y=0.25000000 Z=0.13880000
          MULT= 4          ISPLIT= 8
      -4: X=0.97810000 Y=0.75000000 Z=0.86120000
      -4: X=0.52190000 Y=0.25000000 Z=0.36120000
      -4: X=0.47810000 Y=0.75000000 Z=0.63880000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.26650000 Y=0.25000000 Z=0.11840000
          MULT= 4          ISPLIT= 8
      -5: X=0.73350000 Y=0.75000000 Z=0.88160000
      -5: X=0.76650000 Y=0.25000000 Z=0.38160000
      -5: X=0.23350000 Y=0.75000000 Z=0.61840000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.26460000 Y=0.25000000 Z=0.50140000
          MULT= 4          ISPLIT= 8
      -6: X=0.73540000 Y=0.75000000 Z=0.49860000
      -6: X=0.76460000 Y=0.25000000 Z=0.99860000
      -6: X=0.23540000 Y=0.75000000 Z=0.00140000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.14330000 Y=0.01880000 Z=0.31260000
          MULT= 8          ISPLIT= 8
      -7: X=0.85670000 Y=0.98120000 Z=0.68740000
      -7: X=0.64330000 Y=0.01880000 Z=0.18740000
      -7: X=0.35670000 Y=0.98120000 Z=0.81260000
      -7: X=0.35670000 Y=0.51880000 Z=0.81260000
      -7: X=0.64330000 Y=0.48120000 Z=0.18740000
      -7: X=0.85670000 Y=0.51880000 Z=0.68740000
      -7: X=0.14330000 Y=0.48120000 Z=0.31260000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.40490000 Y=0.59880000 Z=0.29950000
          MULT= 8          ISPLIT= 8
      -8: X=0.59510000 Y=0.40120000 Z=0.70050000
      -8: X=0.90490000 Y=0.59880000 Z=0.20050000
      -8: X=0.09510000 Y=0.40120000 Z=0.79950000
      -8: X=0.09510000 Y=0.09880000 Z=0.79950000
      -8: X=0.90490000 Y=0.90120000 Z=0.20050000
      -8: X=0.59510000 Y=0.09880000 Z=0.70050000
      -8: X=0.40490000 Y=0.90120000 Z=0.29950000
F          NPT=  781  R0=.000100000 RMT= 1.54        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000