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=-0.8759723915589501 stress="1.9483861577743593 0.019088690452859713 -0.10854553716008553 0.019088690452859713 1.7799094802714701 -0.08777161191916583 -0.10854553716008553 -0.08777161191916583 1.5900599460931968" pbc="F F F" He -0.28095614 0.00082602 0.24624097 0.50781620 0.65079846 0.54684049 He 1.64302402 1.35498893 0.11042859 -0.60333461 -0.56411292 0.69359426 He 1.70947124 -0.14487149 1.55280714 -0.44882052 0.60301564 -0.54834812 He -0.08666117 1.34655491 1.37241235 0.54433894 -0.68970119 -0.69208663