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=39.42048298466161 stress="-6.514019582327411 -1.3502225038606184 1.1379751827694113 -1.3502225038606184 -5.536992340827455 -1.8864580327431413 1.1379751827694113 -1.8864580327431413 -6.902013943418522" free_energy=39.42048298466161 pbc="T F T" Fe -0.11798803 0.22586561 0.29391194 31.47994059 -75.66978412 -79.27018392 Fe 1.44697821 1.52103145 -0.04131534 -14.23771327 26.36424287 -4.87256908 Fe 1.68220204 0.23573857 1.52724172 -74.17464058 -69.45272571 25.81668760 Fe -0.22461850 1.20296332 1.34887301 56.93241325 118.75826696 58.32606539