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=-8.60184783559 stress="1.7982916073768498 0.6837596405490464 -0.17539827654509416 0.6837596405490464 2.9609051886088444 -0.6827950244141171 -0.17539827654509416 -0.6827950244141171 1.7832157493560927" pbc="F F F" Fe -0.17070544 -0.21252151 -0.10523254 3.43815073 5.13206105 2.10365877 C 1.37993804 1.78095696 -0.17535412 -4.08364500 -7.44512674 5.03801275 Fe 1.76008946 -0.12324026 1.32230465 -2.94029770 4.43655034 -2.40488355 C 0.28460712 1.03062204 1.26772449 3.58579198 -2.12348465 -4.73678798