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=-0.1755284205845223 stress="-1.9543011167654432 0.2567943951570304 -0.39838798445911106 0.2567943951570304 -1.9660523272588448 -0.14767753892277902 -0.39838798445911106 -0.14767753892277902 -1.6586113738728685" pbc="T T F" Fe 0.18584377 0.18362810 0.19581920 -10.32196886 -4.65523610 -22.37783300 Fe 1.64685009 1.68811563 0.17626233 2.24765557 1.26340796 -12.39018485 Fe 1.35402479 0.20996341 1.49207130 17.80745373 -7.81474813 19.38778337 Fe 0.15300231 1.53848316 1.45774659 -9.73314044 11.20657627 15.38023449