Ni1 O1                                  
    1.000000000000000     
     0.0000000000000003    2.1285234368765455    2.1285234368765455
     2.1285234368765455    0.0000000000000000    2.1285234368765455
     2.1285234368765455    2.1285234368765455    0.0000000000000003
  Ni              O             
     1     1
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
 
             NaN             NaN             NaN
             NaN             NaN             NaN
