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=-2.20976136461 pbc="T T F" H -0.22003563 0.13562864 -0.15523567 1 -0.01721216 0.11056549 0.26573995 H 1.21297981 1.10036875 0.04171347 1 -0.00707885 -0.09482313 0.25214263 H 1.07632303 -0.10579224 1.69229592 1 -0.07923511 -0.00340774 -0.26318920 H 0.01764742 1.23950772 1.49937929 1 0.10352612 -0.01233462 -0.25469339