H   LATTICE,NONEQUIV.ATOMS   4  186 P63mc   
MODE OF CALC=RELA unit=bohr
 14.181072 14.181072  9.223942 90.000000 90.000000120.000000
ATOM  -1: X=0.81300000 Y=0.18700000 Z=0.33000000
          MULT= 6          ISPLIT=15
      -1: X=0.62600000 Y=0.81300000 Z=0.83000000
      -1: X=0.18700000 Y=0.81300000 Z=0.83000000
      -1: X=0.81300000 Y=0.62600000 Z=0.33000000
      -1: X=0.37400000 Y=0.18700000 Z=0.33000000
      -1: X=0.18700000 Y=0.37400000 Z=0.83000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
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=0.06800000
          MULT= 2          ISPLIT=15
      -2: X=0.66666666 Y=0.33333333 Z=0.56800000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12200000 Y=0.87800000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.24400000 Y=0.12200000 Z=0.75000000
      -3: X=0.87800000 Y=0.12200000 Z=0.75000000
      -3: X=0.12200000 Y=0.24400000 Z=0.25000000
      -3: X=0.75600000 Y=0.87800000 Z=0.25000000
      -3: X=0.87800000 Y=0.75600000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.54400000 Y=0.45600000 Z=0.06800000
          MULT= 6          ISPLIT=15
      -4: X=0.08800000 Y=0.54400000 Z=0.56800000
      -4: X=0.45600000 Y=0.54400000 Z=0.56800000
      -4: X=0.54400000 Y=0.08800000 Z=0.06800000
      -4: X=0.91200000 Y=0.45600000 Z=0.06800000
      -4: X=0.45600000 Y=0.91200000 Z=0.56800000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000