Ni1 O2                                  
   1.00000000000000     
     5.0003317491890629   -0.4201300056448545   -0.2488341427659526
     4.4676602151934732    2.2846988477840573   -0.2488341666403041
     4.4676602067662357    0.8798344561242265    2.1231242465620621
   Ni   O 
     1     2
Direct
  0.0017968859466915  0.0017968859463769  0.0017968859463907
  0.6022889024291457  0.6022889021723041  0.6022889021835967
  0.4013102116241603  0.4013102118813165  0.4013102118700101
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
