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=-1.9301726915316986 stress="0.22701207450248173 0.019333890294942997 -0.004183347477269474 0.019333890294942997 0.22177963052947833 -0.0025206605766622055 -0.004183347477269474 -0.0025206605766622055 0.16242928694608239" pbc="T F F" H 0.14904689 0.10609294 0.01361598 1.41789919 2.25571936 1.13215259 H 1.35198705 1.47567541 0.06329927 -1.53266159 -2.34806213 1.41022489 H 1.43745442 0.09073906 1.77219963 -0.91007440 1.89085322 -1.30752807 H 0.11747042 1.63132919 1.75978669 1.02483680 -1.79851045 -1.23484941