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=-22.783046099219582 stress="-0.2479065553132693 0.02723489510351182 0.03921434959940825 0.02723489510351182 -0.3120281063360413 0.014696268082564955 0.03921434959940825 0.014696268082564955 -0.4046216428708433" pbc="F F T" Mn 0.01324301 0.20071341 -0.17141964 -0.46547500 -4.65671934 -1.73026200 Mn 1.64720807 1.58942344 -0.04293576 2.54885931 1.73792322 -2.51900269 Mn 1.77559981 0.21736445 1.28604778 1.86149428 -2.62849899 1.42978218 Mn 0.20384132 1.29224623 1.23214964 -3.94487859 5.54729511 2.81948250