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=-11.9221370839 stress="0.059880623107118065 -1.836596981492964 -3.125462315475068 -1.836596981492964 -0.44840075914788896 0.07312936776025451 -3.125462315475068 0.07312936776025451 1.029318738202312" pbc="F F F" Fe 0.27143892 -0.09704662 0.10338854 -8.15045189 -4.82350941 -5.46505171 Fe 1.74759167 1.61018303 -0.07481803 -1.80303316 3.91170272 6.73161023 C 1.24663523 -0.01297511 1.44857885 3.00453145 3.55243795 5.72001494 C 0.18843096 1.67061300 1.79169807 6.94895360 -2.64063126 -6.98657347