| Z ||NEQ||   X    ||   Y    ||   Z    |
    6    1   0.00000   0.00000   0.76755
    6    1   0.00000   0.00000  -0.76755
    1    2   1.02017   0.00000   1.16263
    1    2  -0.51008   0.88349   1.16263
    1    2  -0.51008  -0.88349   1.16263
    1    2  -1.02017   0.00000  -1.16263
    1    2   0.51008   0.88349  -1.16263
    1    2   0.51008  -0.88349  -1.16263
---------------------------------------------
|NEQ||  CHG   ||U/D||   RD   ||   VD   |    1
---------------------------------------------
    0     Unit     (0:angstrom  1:atomic)
    0     Spin     (0:non-spin  1:spin  )
    0     M.P.     (0:No        1:Yes   )
20000     Sample Point ( <100000, =0 autoset )