P   LATTICE,NONEQUIV.ATOMS   5  218 P-43n                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.209315 16.209315 16.209315 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.50000000
      -1: X=0.75000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.75000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
Ga         NPT=  781  R0=.000050000 RMT= 1.61        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.59        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       3: X=0.50000000 Y=0.50000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12820000 Y=0.14660000 Z=0.40510000
          MULT=24          ISPLIT= 8
      -4: X=0.64660000 Y=0.37180000 Z=0.09490000
      -4: X=0.12820000 Y=0.85340000 Z=0.59490000
      -4: X=0.40510000 Y=0.12820000 Z=0.14660000
      -4: X=0.87180000 Y=0.85340000 Z=0.40510000
      -4: X=0.35340000 Y=0.37180000 Z=0.90510000
      -4: X=0.62820000 Y=0.09490000 Z=0.35340000
      -4: X=0.35340000 Y=0.62820000 Z=0.09490000
      -4: X=0.87180000 Y=0.14660000 Z=0.59490000
      -4: X=0.59490000 Y=0.87180000 Z=0.14660000
      -4: X=0.64660000 Y=0.62820000 Z=0.90510000
      -4: X=0.37180000 Y=0.90510000 Z=0.35340000
      -4: X=0.40510000 Y=0.87180000 Z=0.85340000
      -4: X=0.37180000 Y=0.09490000 Z=0.64660000
      -4: X=0.59490000 Y=0.12820000 Z=0.85340000
      -4: X=0.62820000 Y=0.90510000 Z=0.64660000
      -4: X=0.09490000 Y=0.64660000 Z=0.37180000
      -4: X=0.14660000 Y=0.40510000 Z=0.12820000
      -4: X=0.90510000 Y=0.35340000 Z=0.37180000
      -4: X=0.85340000 Y=0.59490000 Z=0.12820000
      -4: X=0.09490000 Y=0.35340000 Z=0.62820000
      -4: X=0.85340000 Y=0.40510000 Z=0.87180000
      -4: X=0.90510000 Y=0.64660000 Z=0.62820000
      -4: X=0.14660000 Y=0.59490000 Z=0.87180000
O          NPT=  781  R0=.000100000 RMT= 1.45        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.18180000 Y=0.18180000 Z=0.18180000
          MULT= 8          ISPLIT= 4
      -5: X=0.68180000 Y=0.31820000 Z=0.31820000
      -5: X=0.18180000 Y=0.81820000 Z=0.81820000
      -5: X=0.81820000 Y=0.81820000 Z=0.18180000
      -5: X=0.31820000 Y=0.31820000 Z=0.68180000
      -5: X=0.31820000 Y=0.68180000 Z=0.31820000
      -5: X=0.81820000 Y=0.18180000 Z=0.81820000
      -5: X=0.68180000 Y=0.68180000 Z=0.68180000
Li         NPT=  781  R0=.000100000 RMT= 1.68        Z:   3.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503