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=0.11146321333088657 stress="-0.014044925407292916 -9.734369267466923e-05 0.0002669973806867761 -9.734369267466923e-05 -0.013742581484523165 0.000917250566764613 0.0002669973806867761 0.000917250566764613 -0.01566385533993248" free_energy=0.11146321333088657 pbc="F F T"
H       0.17379638       0.03320948       2.94057204      -0.13423940      -0.12126902       0.06812571 
H       1.70040666       1.55646809       0.03502127       0.12301822       0.11703434       0.04760465 
H       1.66980798       0.02184289       1.65019543       0.12488707      -0.11447420      -0.05503183 
H       0.13350600       1.64618898       1.73454065      -0.11366589       0.11870888      -0.06069853