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=67.02418055498428 pbc="T T T" H -0.12280496 -0.20130994 0.11041876 1 -66.67353981 -117.57619889 -37.42439994 H 0.51735611 0.58533445 -0.25851365 1 56.55484948 64.78237748 -88.02138186 H 0.83611608 0.03369179 0.77598936 1 69.87312589 -25.66610997 62.35091753 H -0.27670350 0.71375436 0.65583543 1 -59.75443555 78.45993139 63.09486427