B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.091946 20.091946 20.091946 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20753000 Y=0.20753000 Z=0.20753000
          MULT= 8          ISPLIT= 4
      -1: X=0.45753000 Y=0.54247000 Z=0.04247000
      -1: X=0.20753000 Y=0.79247000 Z=0.29247000
      -1: X=0.79247000 Y=0.29247000 Z=0.20753000
      -1: X=0.04247000 Y=0.54247000 Z=0.95753000
      -1: X=0.04247000 Y=0.45753000 Z=0.54247000
      -1: X=0.79247000 Y=0.70753000 Z=0.29247000
      -1: X=0.45753000 Y=0.45753000 Z=0.45753000
Si         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  14.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.03791000 Y=0.37476000 Z=0.15006000
          MULT=24          ISPLIT= 8
      -2: X=0.62476000 Y=0.71209000 Z=0.09994000
      -2: X=0.03791000 Y=0.62524000 Z=0.34994000
      -2: X=0.15006000 Y=0.03791000 Z=0.37476000
      -2: X=0.96209000 Y=0.12524000 Z=0.15006000
      -2: X=0.87524000 Y=0.71209000 Z=0.90006000
      -2: X=0.28791000 Y=0.59994000 Z=0.87524000
      -2: X=0.87524000 Y=0.28791000 Z=0.59994000
      -2: X=0.96209000 Y=0.87476000 Z=0.34994000
      -2: X=0.84994000 Y=0.46209000 Z=0.37476000
      -2: X=0.62476000 Y=0.28791000 Z=0.40006000
      -2: X=0.21209000 Y=0.40006000 Z=0.37524000
      -2: X=0.15006000 Y=0.96209000 Z=0.12524000
      -2: X=0.21209000 Y=0.59994000 Z=0.12476000
      -2: X=0.84994000 Y=0.53791000 Z=0.12524000
      -2: X=0.28791000 Y=0.40006000 Z=0.62476000
      -2: X=0.09994000 Y=0.62476000 Z=0.71209000
      -2: X=0.37476000 Y=0.15006000 Z=0.03791000
      -2: X=0.40006000 Y=0.37524000 Z=0.21209000
      -2: X=0.62524000 Y=0.34994000 Z=0.03791000
      -2: X=0.09994000 Y=0.37524000 Z=0.78791000
      -2: X=0.62524000 Y=0.65006000 Z=0.46209000
      -2: X=0.40006000 Y=0.62476000 Z=0.28791000
      -2: X=0.37476000 Y=0.84994000 Z=0.46209000
Li         NPT=  781  R0=.000100000 RMT= 2.39        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=-2
      -3: X=0.25000000 Y=0.37500000 Z=0.00000000
      -3: X=0.62500000 Y=0.50000000 Z=0.25000000
      -3: X=0.25000000 Y=0.62500000 Z=0.50000000
      -3: X=0.00000000 Y=0.25000000 Z=0.37500000
      -3: X=0.00000000 Y=0.75000000 Z=0.12500000
Li         NPT=  781  R0=.000100000 RMT= 2.39        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000