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=-11.3090637823 stress="1.6268685116990222 0.7366473543063282 -2.1503505171053146 0.7366473543063282 -0.9325344424637928 2.9680624020386768 -2.1503505171053146 2.9680624020386768 -3.92970989791383" pbc="F F F" Fe -0.13310671 -0.17070544 -0.21252151 -0.11433876 4.13628798 -4.57433577 C 1.39476746 1.37993804 0.28095696 -9.98945916 7.39342913 -10.56420066 Fe 1.32464588 0.26008946 1.37675974 5.16193272 -10.25984501 18.19471108 C -0.17769535 1.78460712 1.25346517 4.94186520 -1.26987210 -3.05617465