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=-1.327491592795829 stress="2.0777615217065692 0.39667862306879786 0.05730617540446903 0.39667862306879786 1.8232693896414212 -0.015566575110319225 0.05730617540446903 -0.015566575110319225 2.64273708095188" pbc="F F F" He 0.03369179 0.02598936 -0.27670350 0.88962569 0.77712709 0.85474076 He 1.46375436 1.40583543 -0.24440284 -0.75089097 -0.91069880 0.76322532 He 1.20178472 0.29874826 1.27290972 -0.77610041 0.70111142 -1.05685001 He -0.11909813 1.36136659 1.55835534 0.63736569 -0.56753971 -0.56111608