Ni1 O2                                  
   1.00000000000000     
     5.4124207960848727   -0.3735403035267000   -0.2212395203461490
     4.8666438237799925    2.3978366533996183   -0.2212395474396755
     4.8666438186891288    0.9584088712777059    2.2090762788473080
   Ni   O 
     1     2
Direct
  0.0015144713285679  0.0015144712271004  0.0015144712255842
  0.6074507084194096  0.6074507073555826  0.6074507073396862
  0.3955668202520202  0.3955668214173146  0.3955668214347271
 
  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
