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=25.636030843218503 stress="-3.2419359835005115 -0.2842583127701888 1.401770332518825 -0.2842583127701888 -4.9130670983972795 -0.2884175840758132 1.401770332518825 -0.2884175840758132 -5.879941627017272" pbc="F T T" Fe 0.27711528 -0.12128882 -0.24786923 -56.24227029 -13.10489191 48.88967109 Fe 1.23125112 1.21824351 0.20944019 29.48684066 22.89602981 -0.69410312 Fe 1.26429260 0.32957941 1.71980528 60.95441095 -14.46224625 -37.42120979 Fe 0.29977655 1.68543805 1.58422142 -34.19898133 4.67110835 -10.77435818