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=-1.261862557986793 stress="4.165346770444051 0.9012833494984727 0.5669922473151954 0.9012833494984727 3.164572870433131 -0.4194070439406661 0.5669922473151954 -0.4194070439406661 4.284817405549696" pbc="F F F"
H       0.27219963      -0.06618674       0.13132919       1.95683305       1.66468919       1.19401900 
H       1.75978669       1.22592512      -0.21495266      -1.21165787      -1.64108868       1.37743263 
H       1.68365717       0.20288723       1.58343331      -1.43969520       0.80979681      -2.03460986 
H      -0.20414597       1.44809454       1.72094491       0.69452002      -0.83339731      -0.53684178