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=-0.4189863778848834 stress="0.13828530736663064 0.008397652912756704 -0.02312535878209835 0.008397652912756704 0.10934063152900185 0.02757701267906984 -0.02312535878209835 0.02757701267906984 0.13918711149153576" free_energy=-0.4189863778848834 pbc="F F T"
H        0.04376171       0.19273990      -0.19277068       1.70287333       0.90400943      -1.10175207
H        1.26172667       1.55332204      -0.11563527      -1.39271837      -1.61619290      -1.54492857
H        1.44432401       0.23019720       1.70071341      -1.54599680       1.28597363       1.72094417
H        0.14720807       1.58942344       1.45706424       1.23584184      -0.57379015       0.92573646