H   LATTICE,NONEQUIV.ATOMS   8  189 P-62m   
MODE OF CALC=RELA unit=bohr
 17.321230 17.321230 21.210286 90.000000 90.000000120.000000
ATOM  -1: X=0.26053000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -1: X=0.73947000 Y=0.73947000 Z=0.00000000
      -1: X=0.00000000 Y=0.26053000 Z=0.00000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.76951000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -2: X=0.23049000 Y=0.23049000 Z=0.50000000
      -2: X=0.00000000 Y=0.76951000 Z=0.50000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.33803000
          MULT= 4          ISPLIT=15
      -3: X=0.33333334 Y=0.66666667 Z=0.66197000
      -3: X=0.66666667 Y=0.33333333 Z=0.33803000
      -3: X=0.66666666 Y=0.33333333 Z=0.66197000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.61428000 Y=0.00000000 Z=0.16376000
          MULT= 6          ISPLIT=15
      -4: X=0.38572000 Y=0.38572000 Z=0.83624000
      -4: X=0.00000000 Y=0.61428000 Z=0.16376000
      -4: X=0.61428000 Y=0.00000000 Z=0.83624000
      -4: X=0.38572000 Y=0.38572000 Z=0.16376000
      -4: X=0.00000000 Y=0.61428000 Z=0.83624000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.66666667 Y=0.33333333 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.23615000
          MULT= 2          ISPLIT=15
      -6: X=0.00000000 Y=0.00000000 Z=0.76385000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.42080000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -7: X=0.57920000 Y=0.57920000 Z=0.50000000
      -7: X=0.00000000 Y=0.42080000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.28562000 Y=0.00000000 Z=0.29005000
          MULT= 6          ISPLIT=15
      -8: X=0.71438000 Y=0.71438000 Z=0.70995000
      -8: X=0.00000000 Y=0.28562000 Z=0.29005000
      -8: X=0.28562000 Y=0.00000000 Z=0.70995000
      -8: X=0.71438000 Y=0.71438000 Z=0.29005000
      -8: X=0.00000000 Y=0.28562000 Z=0.70995000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000