Nis(111)                                
   1.00000000000000     
    20.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   20.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   20.0000000000000000
   N    H 
     1     3
Selective dynamics
Direct
  0.3674331853850035  0.3915688724200024  0.4044936697249994   T   T   T
  0.4084497000149980  0.3674226411649997  0.4230418806250000   T   T   T
  0.3265184423649998  0.3674159054699970  0.4232725438150027   T   T   T
  0.3674873850250009  0.4383520733699982  0.4242791553199972   T   T   T
 
  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
