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=-3.2360345392029695 stress="-0.8008089495367401 -0.014748981717283335 0.07518607421428959 -0.014748981717283335 -1.2325553065237655 0.02653609834675663 0.07518607421428959 0.02653609834675663 -1.395812752806897" free_energy=-3.2360345392029695 pbc="F F T" Fe 0.17089611 0.26235339 -0.10785733 -5.73963194 -14.72502772 -6.32658427 Fe 1.71005355 1.71211731 -0.05031310 7.97236319 9.57745690 -7.33887717 Fe 1.79594673 0.15710459 1.21094383 6.11567868 -9.45833114 5.34150464 Fe 0.24122900 1.52201293 1.31634348 -8.34840993 14.60590196 8.32395680