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=3.258558738403958 stress="-1.5729418482479134 -0.2857624457018852 0.10684405127458098 -0.2857624457018852 -2.0973968237154 0.2889496331401072 0.10684405127458098 0.2889496331401072 -1.7097972740758212" pbc="F T F" Fe 0.29768454 -0.01726309 0.17089611 -18.67883071 -9.53944020 -13.68172463 Fe 1.47011124 1.20220318 0.26235339 24.72870613 14.92333531 -19.46156416 Fe 1.34838096 0.21005355 1.71211731 12.79540379 -9.30251655 18.99412256 Fe 0.29594673 1.65710459 1.49042854 -18.84527920 3.91862144 14.14916623