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=-12.128834676397892 stress="-1.0419153702268207 0.361813129115907 0.13475540680507408 0.361813129115907 -0.241982356680299 0.05345880651086909 0.13475540680507408 0.05345880651086909 -1.586101199145869" free_energy=-12.128834676397892 pbc="F T F" Fe 0.04737131 0.03238783 0.24404962 -4.26249683 -0.17082341 -12.85139928 C 1.13003101 1.59428644 0.21382745 11.48570366 -0.95390406 -19.37271774 Fe 1.29640878 0.21456242 1.77913633 15.01614055 -7.99914145 11.60890522 C 0.18492541 1.33178173 1.42854261 -22.23934738 9.12386891 20.61521180