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=-14.0933339215 stress="1.6867303500359347 -0.48389792780928903 -0.04852508475463241 -0.48389792780928903 1.6948216767076076 -0.10704288347662169 -0.04852508475463241 -0.10704288347662169 0.3905453403079456" pbc="F F F" C 0.15710459 -0.00957146 -0.14312801 1.39247180 1.82754703 0.59500342 Fe 1.47664413 1.74122900 0.02201293 -2.47153503 -1.81578747 0.74860394 Fe 1.31634348 -0.07465759 1.48566276 -3.10954300 3.17827992 -0.80524861 C -0.18556893 1.54376171 1.22051529 4.18860623 -3.19003949 -0.53835875