H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.602076  9.602076 18.421050 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.56        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.33333333 Y=0.66666667 Z=0.75000000
Ga         NPT=  781  R0=.000050000 RMT= 1.92        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.10        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01470000 Y=0.36860000 Z=0.14100000
          MULT=12          ISPLIT= 8
      -4: X=0.98530000 Y=0.63140000 Z=0.85900000
      -4: X=0.63140000 Y=0.64610000 Z=0.14100000
      -4: X=0.36860000 Y=0.35390000 Z=0.85900000
      -4: X=0.36860000 Y=0.01470000 Z=0.64100000
      -4: X=0.63140000 Y=0.98530000 Z=0.35900000
      -4: X=0.35390000 Y=0.98530000 Z=0.14100000
      -4: X=0.64610000 Y=0.01470000 Z=0.85900000
      -4: X=0.98530000 Y=0.35390000 Z=0.64100000
      -4: X=0.01470000 Y=0.64610000 Z=0.35900000
      -4: X=0.64610000 Y=0.63140000 Z=0.64100000
      -4: X=0.35390000 Y=0.36860000 Z=0.35900000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000