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:Z:I:1:forces:R:3 energy=-2.6795467704291025 pbc="F T T" H -0.06699407 -0.27997518 -0.22303573 1 -0.79120636 5.12039842 2.06392121 H 1.41661558 1.46512192 0.22586561 1 1.41847532 -3.21349960 -2.27040667 H 1.79391194 -0.27385471 1.52103145 1 1.16594225 2.38897238 1.74417017 H -0.22238644 1.68220204 1.39362841 1 -1.79321121 -4.29587120 -1.53768472