B   LATTICE,NONEQUIV.ATOMS   7   46 Ima2    
MODE OF CALC=RELA unit=bohr
 13.231862 21.947279 12.481641 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25010000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.50000000 Z=0.75010000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02950000 Y=0.37640000 Z=0.12000000
          MULT= 4          ISPLIT=15
      -2: X=0.97050000 Y=0.62360000 Z=0.12000000
      -2: X=0.97050000 Y=0.87640000 Z=0.62000000
      -2: X=0.02950000 Y=0.12360000 Z=0.62000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.20040000 Z=0.29640000
          MULT= 2          ISPLIT=15
      -3: X=0.75000000 Y=0.79960000 Z=0.29640000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.77930000 Z=0.27070000
          MULT= 2          ISPLIT=15
      -4: X=0.75000000 Y=0.22070000 Z=0.27070000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.50210000 Z=0.41780000
          MULT= 2          ISPLIT=15
      -5: X=0.75000000 Y=0.49790000 Z=0.41780000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25000000 Y=0.52530000 Z=0.00550000
          MULT= 2          ISPLIT=15
      -6: X=0.75000000 Y=0.47470000 Z=0.00550000
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  -7: X=0.00600000 Y=0.33250000 Z=0.49530000
          MULT= 4          ISPLIT=15
      -7: X=0.99400000 Y=0.66750000 Z=0.49530000
      -7: X=0.99400000 Y=0.83250000 Z=0.99530000
      -7: X=0.00600000 Y=0.16750000 Z=0.99530000
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