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=11.347341213145269 stress="-3.126972627356178 0.6797824505367498 -0.8233389259358774 0.6797824505367498 -3.8023210641976775 -1.6755107594209007 -0.8233389259358774 -1.6755107594209007 -4.659048528165181" free_energy=11.347341213145269 pbc="F T T" Fe 0.18107110 2.82825321 0.13102478 -38.92802305 50.12785074 11.73059014 Fe 1.59995250 1.76120756 0.01193751 37.07791218 -48.95387730 -19.91515723 Fe 1.75226748 2.96431997 1.31318681 19.06072792 30.34574208 30.58334131 Fe 0.07236142 1.70379337 1.73854596 -17.21061705 -31.51971552 -22.39877423