H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c   
MODE OF CALC=RELA unit=bohr
 13.970178 13.970178 26.127354 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.33500000 Z=0.12400000
          MULT=12          ISPLIT=15
      -1: X=0.00000000 Y=0.66500000 Z=0.87600000
      -1: X=0.66500000 Y=0.66500000 Z=0.12400000
      -1: X=0.33500000 Y=0.33500000 Z=0.87600000
      -1: X=0.33500000 Y=0.00000000 Z=0.62400000
      -1: X=0.66500000 Y=0.00000000 Z=0.37600000
      -1: X=0.33500000 Y=0.00000000 Z=0.12400000
      -1: X=0.66500000 Y=0.00000000 Z=0.87600000
      -1: X=0.00000000 Y=0.33500000 Z=0.62400000
      -1: X=0.00000000 Y=0.66500000 Z=0.37600000
      -1: X=0.66500000 Y=0.66500000 Z=0.62400000
      -1: X=0.33500000 Y=0.33500000 Z=0.37600000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   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  -4: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.33333333 Y=0.66666667 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT=   2.00000   Z:   3.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000