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=-11.153024070319026 stress="-0.25684739219632813 0.023160937284852686 -0.09778965508022594 0.023160937284852686 -0.6236215032832897 0.01476433446839087 -0.09778965508022594 0.01476433446839087 -0.3685882495351253" free_energy=-11.153024070319026 pbc="T T T" Fe 2.85540510 0.11115480 0.31304306 2.95389873 -2.72080059 -4.20187599 Fe 1.70960170 1.31143450 2.54699460 -3.33140512 1.18288497 0.52171193 Fe 1.28829595 2.83509776 1.50591627 -2.45421922 -0.96633412 1.78522172 Fe 2.77812781 1.51878885 1.11637071 2.83172562 2.50424973 1.89494234