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=35.675422284014374 stress="-3.0574856747402146 0.16577695650234017 0.9624463073715225 0.16577695650234017 -2.615901001607913 0.5678474687745292 0.9624463073715225 0.5678474687745292 -3.874907134662426" free_energy=35.675422284014374 pbc="F F T" Fe 0.29874826 0.05835534 -0.25354363 -31.24163181 -26.31950937 16.68040392 Fe 1.48193431 1.42001865 0.20070203 30.06612014 25.86542425 -15.85838782 Fe 1.20342959 0.28187239 1.51001192 42.85078909 -31.75928961 -6.70274370 Fe 0.10170120 1.37793365 1.21904386 -41.67527742 32.21337473 5.88072760