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=-0.2881285175643199 stress="0.10130788418153516 0.07581382490512603 -0.011179093022216155 0.07581382490512603 0.09238468664942079 0.010664474812509626 -0.011179093022216155 0.010664474812509626 0.021688603781705545" free_energy=-0.2881285175643199 pbc="F T F"
H        0.17337370       0.06699849       0.15720406       2.00202278       2.12488939       0.17109883
H        1.26564846       1.19230533       0.29768454      -2.41173806      -2.13891360       0.22441206
H        1.48273691      -0.08602129       1.67089611      -0.11266038       0.23604054       0.07531103
H        0.26235339       1.23274570       1.71005355       0.52237566      -0.22201633      -0.47082193