4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.7311500506466113 stress="0.3159189784108824 -0.0005312335576564306 -0.0315492889406856 -0.0005312335576564306 0.2867419421189656 -0.019142376070649197 -0.0315492889406856 -0.019142376070649197 0.2308167899563624" pbc="T T F"
H      -0.04105180       0.20259391       0.06504129       0.88270051       1.40903406       1.79252171 
H       1.20865944       1.36550211       0.22277084      -1.56259214      -1.89941256       2.27240399 
H       1.68584377       0.39359151       1.69581920       0.14532187       1.34630273      -2.09567048 
H       0.14685009       1.76166535       1.67626233       0.53456977      -0.85592422      -1.96925522