H  O 
 1.0000000000000000
     1.7321561417157190    0.0000000000000000    0.0000000000000000
     0.0000000000000000    1.7321561417156959    0.0000000000000000
    -0.0000000000000000    0.0000000000000001    4.9900303873278329
 H   O  
   8   8
Selective dynamics
Cartesian
  1.7782005216501859  1.9386853467512104 -0.2857636164251944   T   T   T
 -0.0460443799344646 -0.2065292050355144  2.2092515772387218   T   T   T
 -1.0726072758933756  0.9121224507923141  0.9617439804067643   T   T   T
  2.8047634176091001  0.8200336909233823  3.4567591740706782   T   T   T
  0.8200336909233958  2.8047634176090566  1.5332712132571540   T   T   T
  0.9121224507923273 -1.0726072758933620  4.0282864069210733   T   T   T
  1.9386853467512362  1.7782005216501580  5.2757940037530311   T   T   T
 -0.2065292050355156 -0.0460443799344657  2.7807788100891115   T   T   T
 -0.0462280210746900  0.8044155283151148  1.5875166874124187   T   T   T
  1.7783841627904147  0.9277406134005781  4.0825318810763349   T   T   T
  0.0616625425427342  0.8198500497831552  2.8350242842443723   T   T   T
  1.6704935991729859  0.9123060919325394  0.3400090905804599   T   T   T
  0.9123060919325511  1.6704935991729641  4.6500212967473713   T   T   T
  0.8198500497831703  0.0616625425427317  2.1550061030834597   T   T   T
  0.8044155283151256 -0.0462280210746921  3.4025136999154189   T   T   T
  0.9277406134005967  1.7783841627903889  0.9074985062514960   T   T   T