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=20.368065102635835 stress="-2.6944877461130736 -0.769703325570822 -0.2020797834952368 -0.769703325570822 -2.910220263284474 0.7220405155554941 -0.2020797834952368 0.7220405155554941 -2.582609039413115" free_energy=20.368065102635835 pbc="T T F" Fe -0.13449789 -0.21197381 0.22277084 21.69873520 29.12148614 -26.15715504 Fe 1.68584377 1.68362810 0.19581920 -27.59454727 -14.92741561 -25.52814692 Fe 1.64685009 0.42259636 1.67626233 -15.04481984 -10.21152809 18.66671385 Fe -0.14597521 1.70996341 1.49207130 20.94063191 -3.98254244 33.01858812