H   LATTICE,NONEQUIV.ATOMS   7  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.250441 10.250441 20.080230 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.08720000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.58720000
      -2: X=0.66666667 Y=0.33333333 Z=0.08720000
      -2: X=0.33333334 Y=0.66666667 Z=0.58720000
Li         NPT=  781  R0=.000100000 RMT= 1.62        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=0.60270000 Y=0.00000000 Z=0.37160000
          MULT= 6          ISPLIT= 8
      -3: X=0.60270000 Y=0.60270000 Z=0.87160000
      -3: X=0.00000000 Y=0.60270000 Z=0.37160000
      -3: X=0.39730000 Y=0.00000000 Z=0.87160000
      -3: X=0.39730000 Y=0.39730000 Z=0.37160000
      -3: X=0.00000000 Y=0.39730000 Z=0.87160000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30820000 Y=0.00000000 Z=0.23000000
          MULT= 6          ISPLIT= 8
      -4: X=0.30820000 Y=0.30820000 Z=0.73000000
      -4: X=0.00000000 Y=0.30820000 Z=0.23000000
      -4: X=0.69180000 Y=0.00000000 Z=0.73000000
      -4: X=0.69180000 Y=0.69180000 Z=0.23000000
      -4: X=0.00000000 Y=0.69180000 Z=0.73000000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.34340000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.84340000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333333 Y=0.66666667 Z=0.28080000
          MULT= 4          ISPLIT= 4
      -6: X=0.66666666 Y=0.33333333 Z=0.78080000
      -6: X=0.66666667 Y=0.33333333 Z=0.28080000
      -6: X=0.33333334 Y=0.66666667 Z=0.78080000
O          NPT=  781  R0=.000100000 RMT= 1.65        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  -7: X=0.28690000 Y=0.00000000 Z=0.04650000
          MULT= 6          ISPLIT= 8
      -7: X=0.28690000 Y=0.28690000 Z=0.54650000
      -7: X=0.00000000 Y=0.28690000 Z=0.04650000
      -7: X=0.71310000 Y=0.00000000 Z=0.54650000
      -7: X=0.71310000 Y=0.71310000 Z=0.04650000
      -7: X=0.00000000 Y=0.71310000 Z=0.54650000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000