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=19.389437102508197 stress="-2.994254010768493 -0.52848204600456 0.8871319919010032 -0.52848204600456 -2.8042201722901567 -1.2802447358491313 0.8871319919010032 -1.2802447358491313 -3.317001947135565" free_energy=19.389437102508197 pbc="T F T" Fe 2.88201197 0.22586561 0.29391194 14.66198679 -32.22664381 -35.65960984 Fe 1.44697821 1.52103145 2.56746321 -8.86540733 20.64998830 15.49124990 Fe 1.68220204 0.23573857 1.52724172 -32.47953849 -38.93331666 5.37991340 Fe 2.77538150 1.20296332 1.34887301 26.68295903 50.50997217 14.78844655