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=-4.95341717334 stress="-4.212102047430358 0.45160127667814387 -0.9399765419483022 0.45160127667814387 -2.978995306256612 0.028200598205326735 -0.9399765419483022 0.028200598205326735 -3.9848364681563386" pbc="F F F" Fe 0.04852473 0.05473499 -0.08438932 -7.07185346 -3.50905276 -7.99111202 Fe 1.63661615 1.40480033 -0.12280496 2.85367575 4.72867447 -3.38218961 Fe 1.29869006 0.11041876 1.26735611 9.49322455 -6.59339429 7.99990543 Fe -0.16466555 1.24148635 1.58611608 -5.27504684 5.37377258 3.37339620