H   LATTICE,NONEQUIV.ATOMS   8  187 P-6m2   
MODE OF CALC=RELA unit=bohr
 20.420570 20.420570  6.262174 90.000000 90.000000120.000000
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28440000 Y=0.00460000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.72020000 Y=0.71560000 Z=0.00000000
      -3: X=0.99540000 Y=0.71560000 Z=0.00000000
      -3: X=0.99540000 Y=0.27980000 Z=0.00000000
      -3: X=0.72020000 Y=0.00460000 Z=0.00000000
      -3: X=0.28440000 Y=0.27980000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24090000 Y=0.75910000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -4: X=0.51820000 Y=0.75910000 Z=0.50000000
      -4: X=0.24090000 Y=0.48180000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.52680000 Y=0.47320000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -5: X=0.94640000 Y=0.47320000 Z=0.50000000
      -5: X=0.52680000 Y=0.05360000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09790000 Y=0.90210000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -6: X=0.80420000 Y=0.90210000 Z=0.50000000
      -6: X=0.09790000 Y=0.19580000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.43560000 Y=0.56440000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -7: X=0.12880000 Y=0.56440000 Z=0.00000000
      -7: X=0.43560000 Y=0.87120000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.79420000 Y=0.20580000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -8: X=0.41160000 Y=0.20580000 Z=0.50000000
      -8: X=0.79420000 Y=0.58840000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000