Ni1 O1                                  
    1.000000000000000     
     0.0000000000000003    2.1182899930503125    2.1182899930503125
     2.1182899930503125    0.0000000000000000    2.1182899930503125
     2.1182899930503130    2.1182899930503125    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
