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=1.5683672169690974 stress="-4.107983155561621 -3.489415726487193 1.2142556888089857 -3.489415726487193 -5.4470662300128625 1.5778313806662267 1.2142556888089857 1.5778313806662267 -2.9106105557331157" pbc="F F F" H 0.13250256 0.10031152 0.28022658 -2.96089803 -3.20135437 0.24036637 W 1.35431870 1.28011711 0.13572127 3.47845843 3.98511161 -2.17198669 He 1.48657851 -0.26612504 1.58501927 -0.06391368 -1.04225180 0.97681359 H 0.25486545 1.50649231 1.66501753 -0.45364673 0.25849456 0.95480673