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=2.307266085498457 stress="-1.4390148433146897 -0.041919511464375385 -0.2187522399665676 -0.041919511464375385 -1.8882178966861873 -0.42680220897755344 -0.2187522399665676 -0.42680220897755344 -1.7483666242744798" pbc="F T F" Fe 0.07034430 0.04852473 0.05473499 -18.36017235 3.48113245 -17.39998653 Fe 1.41561068 1.63661615 0.11041876 10.78917263 -15.45712059 -20.96345619 Fe 1.26735611 -0.16466555 1.24148635 20.50360709 18.40175445 28.36229962 Fe 0.08611608 1.53369179 1.52598936 -12.93260737 -6.42576631 10.00114310