B   LATTICE,NONEQUIV.ATOMS   7   79 I4      
MODE OF CALC=RELA unit=bohr
 14.416721 14.416721 20.503529 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.74880000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15930000 Y=0.34070000 Z=0.02250000
          MULT= 4          ISPLIT=15
      -3: X=0.65930000 Y=0.15930000 Z=0.02250000
      -3: X=0.84070000 Y=0.65930000 Z=0.02250000
      -3: X=0.34070000 Y=0.84070000 Z=0.02250000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=15
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  -6: X=0.35360000 Y=0.14800000 Z=0.20890000
          MULT= 4          ISPLIT=15
      -6: X=0.85200000 Y=0.35360000 Z=0.20890000
      -6: X=0.64640000 Y=0.85200000 Z=0.20890000
      -6: X=0.14800000 Y=0.64640000 Z=0.20890000
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=0.14100000 Y=0.36130000 Z=0.32950000
          MULT= 4          ISPLIT=15
      -7: X=0.63870000 Y=0.14100000 Z=0.32950000
      -7: X=0.85900000 Y=0.63870000 Z=0.32950000
      -7: X=0.36130000 Y=0.85900000 Z=0.32950000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000