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=14.390294137902746 stress="-3.593994253793831 -0.7567402604071285 1.0214066152202528 -0.7567402604071285 -4.4695467526205475 -0.36807257475587624 1.0214066152202528 -0.36807257475587624 -3.171512153695485" free_energy=14.390294137902746 pbc="F T F" Fe 0.02031036 0.26073281 0.02015752 -18.56137754 -8.98457261 -14.05136516 Fe 1.37970777 1.65137387 0.13616082 49.18842512 4.87652070 -45.89461680 Fe 1.26429260 0.12968218 1.71980528 40.15532792 13.12035943 18.72251633 Fe 0.29977655 1.68543805 1.45460942 -70.78237550 -9.01230752 41.22346564