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=83.29185384858759 stress="-10.730452633462104 1.2713590195121236 -2.008373721856021 1.2713590195121236 -10.65801968426289 -0.6843116540054673 -2.008373721856021 -0.6843116540054673 -9.928972463820385" free_energy=83.29185384858759 pbc="F T T" Fe 0.28095696 2.61766412 0.26008946 -175.88290253 49.25416076 -158.82652574 Fe 1.37675974 1.39485842 0.28460712 118.56718415 -70.73360013 -85.71560236 Fe 1.25346517 2.77901681 1.27715687 149.03332465 41.13033612 165.50845485 Fe 0.11893942 1.22956938 1.33885520 -91.71760626 -19.65089675 79.03367325