864 Lattice="21.517507927183246 0.0 0.0 0.0 21.517507927183246 0.0 0.0 0.0 21.517507927183246" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2859.6135117736226 stress="-19.25431429170448 -0.8047111341857054 2.1970803181204275 -0.8047111341857054 -20.07514265364989 -0.98930404307157 2.1970803181204275 -0.98930404307157 -21.157420668514" pbc="F F F" Ni -0.01418204 0.03035803 0.01590265 -0.45701210 -0.52044262 -0.52547640 Ni 1.80851553 1.78332829 0.01964318 0.34602139 0.85448773 -1.25775622 Ni 1.82093317 0.02445989 1.76674679 0.33659927 -1.16008561 1.13285028 Ni 0.02110995 1.77583303 1.80811001 -1.15258525 0.86441166 0.76863233 Ni 3.56430931 0.01908036 0.01173292 0.37093552 -0.95370228 -0.76333516 Ni 5.35064333 1.76190349 0.01652789 0.37718459 1.00751060 -1.02095857 Ni 5.41198589 -0.01994866 1.80666297 -0.24129249 -0.96568303 0.57888261 Ni 3.62104292 1.80802392 1.79651787 -0.24048814 0.63319708 0.90109951 Ni 7.14883027 -0.02774379 -0.00587539 0.35499270 -0.50391795 -0.55317694 Ni 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