P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 32.662026 12.608820 12.337833 90.000000 90.000000 90.000000
ATOM  -1: X=0.28426000 Y=0.25000000 Z=0.48240000
          MULT= 4          ISPLIT=15
      -1: X=0.71574000 Y=0.75000000 Z=0.51760000
      -1: X=0.78426000 Y=0.25000000 Z=0.01760000
      -1: X=0.21574000 Y=0.75000000 Z=0.98240000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02397000 Y=0.25000000 Z=0.28907000
          MULT= 4          ISPLIT=15
      -2: X=0.97603000 Y=0.75000000 Z=0.71093000
      -2: X=0.52397000 Y=0.25000000 Z=0.21093000
      -2: X=0.47603000 Y=0.75000000 Z=0.78907000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09100000 Y=0.25000000 Z=0.78570000
          MULT= 4          ISPLIT=15
      -3: X=0.90900000 Y=0.75000000 Z=0.21430000
      -3: X=0.59100000 Y=0.25000000 Z=0.71430000
      -3: X=0.40900000 Y=0.75000000 Z=0.28570000
Si         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  14.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16411000 Y=0.25000000 Z=0.04210000
          MULT= 4          ISPLIT=15
      -4: X=0.83589000 Y=0.75000000 Z=0.95790000
      -4: X=0.66411000 Y=0.25000000 Z=0.45790000
      -4: X=0.33589000 Y=0.75000000 Z=0.54210000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.47183000 Y=0.25000000 Z=0.63700000
          MULT= 4          ISPLIT=15
      -5: X=0.52817000 Y=0.75000000 Z=0.36300000
      -5: X=0.97183000 Y=0.25000000 Z=0.86300000
      -5: X=0.02817000 Y=0.75000000 Z=0.13700000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.38991000 Y=0.00090000 Z=0.09100000
          MULT= 8          ISPLIT=15
      -6: X=0.61009000 Y=0.99910000 Z=0.90900000
      -6: X=0.88991000 Y=0.00090000 Z=0.40900000
      -6: X=0.11009000 Y=0.99910000 Z=0.59100000
      -6: X=0.11009000 Y=0.50090000 Z=0.59100000
      -6: X=0.88991000 Y=0.49910000 Z=0.40900000
      -6: X=0.61009000 Y=0.50090000 Z=0.90900000
      -6: X=0.38991000 Y=0.49910000 Z=0.09100000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000