H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm   
MODE OF CALC=RELA unit=bohr
 13.588454 13.588454 13.895345 90.000000 90.000000120.000000
ATOM  -1: X=0.67420000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.67420000 Y=0.67420000 Z=0.75000000
      -1: X=0.00000000 Y=0.67420000 Z=0.25000000
      -1: X=0.32580000 Y=0.00000000 Z=0.75000000
      -1: X=0.32580000 Y=0.32580000 Z=0.25000000
      -1: X=0.00000000 Y=0.32580000 Z=0.75000000
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=0.28390000 Y=0.00000000 Z=0.41890000
          MULT= 6          ISPLIT=15
      -2: X=0.28390000 Y=0.28390000 Z=0.91890000
      -2: X=0.00000000 Y=0.28390000 Z=0.41890000
      -2: X=0.71610000 Y=0.00000000 Z=0.91890000
      -2: X=0.71610000 Y=0.71610000 Z=0.41890000
      -2: X=0.00000000 Y=0.71610000 Z=0.91890000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37460000 Y=0.00000000 Z=0.08130000
          MULT= 6          ISPLIT=15
      -3: X=0.37460000 Y=0.37460000 Z=0.58130000
      -3: X=0.00000000 Y=0.37460000 Z=0.08130000
      -3: X=0.62540000 Y=0.00000000 Z=0.58130000
      -3: X=0.62540000 Y=0.62540000 Z=0.08130000
      -3: X=0.00000000 Y=0.62540000 Z=0.58130000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.17840000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.67840000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
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=0.28330000
          MULT= 4          ISPLIT=15
      -5: X=0.66666666 Y=0.33333333 Z=0.78330000
      -5: X=0.66666667 Y=0.33333333 Z=0.28330000
      -5: X=0.33333334 Y=0.66666667 Z=0.78330000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000