Ni1 O2                                  
   1.00000000000000     
     5.0293961765606729   -0.4144386470949770   -0.2454628430120069
     4.4967122500973655    2.2904523006208946   -0.2454628932650123
     4.4967122405071560    0.8855565107642724    2.1265495621941284
   Ni   O 
     1     2
Direct
  0.0007607300803494  0.0007607300733905  0.0007607300726163
  0.6016793198659200  0.6016793195359417  0.6016793194992308
  0.3998429500537290  0.3998429503906664  0.3998429504281515
 
  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
