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=-8.62548284607 stress="0.25956924292419187 0.3603851755230569 0.7476098688459191 0.3603851755230569 0.6677538127335062 0.11505098238486262 0.7476098688459191 0.11505098238486262 1.4535054719968103" pbc="F F F" C -0.29059379 0.11893942 -0.27043062 2.09340795 1.86437568 3.45683946 C 1.33885520 1.53926819 0.23010044 0.64942032 -1.90242589 1.69329128 Fe 1.59566688 0.12528982 1.62033173 -0.88066626 0.72855989 -3.24246192 Fe 0.17828948 1.71182891 1.29301824 -1.86216201 -0.69050968 -1.90766882