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=-45.085623523342406 stress="-14.729373007849766 5.514923234801087 -1.6148592736059726 5.514923234801087 -15.148590604810478 -1.8762221445499065 -1.6148592736059726 -1.8762221445499065 -13.939849872765405" pbc="F F F" Fe -0.17842402 0.01361598 -0.14801295 -3.36450356 -3.66063701 -6.37408955 Fe 1.47567541 1.56329927 -0.06254558 2.05188863 2.99261610 -2.89116104 Fe 1.27846858 -0.00548572 1.34126820 7.86974953 -7.29144494 4.32367538 Fe -0.15859300 1.31668137 1.41986395 -6.55713460 7.95946584 4.94157522