H   LATTICE,NONEQUIV.ATOMS   8  174 P-6     
MODE OF CALC=RELA unit=bohr
 14.804492 14.804492 15.949289 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.23301000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 Z=0.76699000
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=0.00092000 Y=0.49995000 Z=0.21929000
          MULT= 6          ISPLIT=15
      -2: X=0.49903000 Y=0.99908000 Z=0.78071000
      -2: X=0.50005000 Y=0.50097000 Z=0.21929000
      -2: X=0.00092000 Y=0.49995000 Z=0.78071000
      -2: X=0.49903000 Y=0.99908000 Z=0.21929000
      -2: X=0.50005000 Y=0.50097000 Z=0.78071000
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=0.16943000 Y=0.33900000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -3: X=0.16957000 Y=0.83057000 Z=0.50000000
      -3: X=0.66100000 Y=0.83043000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
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=0.50000000
          MULT= 1          ISPLIT=15
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26500000 Y=0.52700000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -5: X=0.26200000 Y=0.73500000 Z=0.00000000
      -5: X=0.47300000 Y=0.73800000 Z=0.00000000
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  -6: X=0.13300000 Y=0.27400000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -6: X=0.14100000 Y=0.86700000 Z=0.00000000
      -6: X=0.72600000 Y=0.85900000 Z=0.00000000
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  -7: X=0.52300000 Y=0.26200000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -7: X=0.73900000 Y=0.47700000 Z=0.00000000
      -7: X=0.73800000 Y=0.26100000 Z=0.00000000
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  -8: X=0.27800000 Y=0.13500000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -8: X=0.85700000 Y=0.72200000 Z=0.00000000
      -8: X=0.86500000 Y=0.14300000 Z=0.00000000
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