H   LATTICE,NONEQUIV.ATOMS   9  174 P-6     
MODE OF CALC=RELA unit=bohr
 21.395857 21.395857  7.816285 90.000000 90.000000120.000000
ATOM  -1: X=0.11931000 Y=0.50269000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -1: X=0.38338000 Y=0.88069000 Z=0.50000000
      -1: X=0.49731000 Y=0.61662000 Z=0.50000000
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=0.22092000 Y=0.16059000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -2: X=0.93967000 Y=0.77908000 Z=0.00000000
      -2: X=0.83941000 Y=0.06033000 Z=0.00000000
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  -3: 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  -4: X=0.42110000 Y=0.07380000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -4: X=0.65270000 Y=0.57890000 Z=0.00000000
      -4: X=0.92620000 Y=0.34730000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.45073000 Y=0.32272000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -5: X=0.87199000 Y=0.54927000 Z=0.50000000
      -5: X=0.67728000 Y=0.12801000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.05952000 Y=0.21175000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -6: X=0.15223000 Y=0.94048000 Z=0.50000000
      -6: X=0.78825000 Y=0.84777000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28836000 Y=0.45088000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -7: X=0.16252000 Y=0.71164000 Z=0.00000000
      -7: X=0.54912000 Y=0.83748000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 1          ISPLIT=15
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000