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=-14.291801814213555 stress="0.2961141265333418 -0.07962256103929446 -0.019654032437038924 -0.07962256103929446 0.5991419770868583 0.0844906349699859 -0.019654032437038924 0.0844906349699859 0.3630053089324945" pbc="F T F" C 0.13362859 -0.08685450 0.07034430 2.66278933 0.21925314 4.00874203 C 1.54852473 1.55473499 0.13661615 -3.17007950 1.67803790 4.07401952 C 1.40480033 -0.08911316 1.29869006 -2.70242882 -0.20741642 -4.18829751 C 0.11041876 1.26735611 1.33533445 3.20971898 -1.68987461 -3.89446404