P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca    
MODE OF CALC=RELA unit=bohr
 11.307554 49.563548 11.499928 90.000000 90.000000 90.000000
ATOM  -1: X=0.00410000 Y=0.09220000 Z=0.00070000
          MULT= 8          ISPLIT=15
      -1: X=0.99590000 Y=0.90780000 Z=0.99930000
      -1: X=0.50410000 Y=0.09220000 Z=0.49930000
      -1: X=0.49590000 Y=0.90780000 Z=0.50070000
      -1: X=0.49590000 Y=0.59220000 Z=0.00070000
      -1: X=0.50410000 Y=0.40780000 Z=0.99930000
      -1: X=0.99590000 Y=0.59220000 Z=0.49930000
      -1: X=0.00410000 Y=0.40780000 Z=0.50070000
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  -2: X=0.00210000 Y=0.12390000 Z=0.49840000
          MULT= 8          ISPLIT=15
      -2: X=0.99790000 Y=0.87610000 Z=0.50160000
      -2: X=0.50210000 Y=0.12390000 Z=0.00160000
      -2: X=0.49790000 Y=0.87610000 Z=0.99840000
      -2: X=0.49790000 Y=0.62390000 Z=0.49840000
      -2: X=0.50210000 Y=0.37610000 Z=0.50160000
      -2: X=0.99790000 Y=0.62390000 Z=0.00160000
      -2: X=0.00210000 Y=0.37610000 Z=0.99840000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00970000 Y=0.21160000 Z=0.03850000
          MULT= 8          ISPLIT=15
      -3: X=0.99030000 Y=0.78840000 Z=0.96150000
      -3: X=0.50970000 Y=0.21160000 Z=0.46150000
      -3: X=0.49030000 Y=0.78840000 Z=0.53850000
      -3: X=0.49030000 Y=0.71160000 Z=0.03850000
      -3: X=0.50970000 Y=0.28840000 Z=0.96150000
      -3: X=0.99030000 Y=0.71160000 Z=0.46150000
      -3: X=0.00970000 Y=0.28840000 Z=0.53850000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23330000 Y=0.49930000 Z=0.22500000
          MULT= 8          ISPLIT=15
      -4: X=0.76670000 Y=0.50070000 Z=0.77500000
      -4: X=0.73330000 Y=0.49930000 Z=0.27500000
      -4: X=0.26670000 Y=0.50070000 Z=0.72500000
      -4: X=0.26670000 Y=0.99930000 Z=0.22500000
      -4: X=0.73330000 Y=0.00070000 Z=0.77500000
      -4: X=0.76670000 Y=0.99930000 Z=0.27500000
      -4: X=0.23330000 Y=0.00070000 Z=0.72500000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.42710000 Y=0.20570000 Z=0.07000000
          MULT= 8          ISPLIT=15
      -5: X=0.57290000 Y=0.79430000 Z=0.93000000
      -5: X=0.92710000 Y=0.20570000 Z=0.43000000
      -5: X=0.07290000 Y=0.79430000 Z=0.57000000
      -5: X=0.07290000 Y=0.70570000 Z=0.07000000
      -5: X=0.92710000 Y=0.29430000 Z=0.93000000
      -5: X=0.57290000 Y=0.70570000 Z=0.43000000
      -5: X=0.42710000 Y=0.29430000 Z=0.57000000
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