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=187.46500714458804 stress="-1248.0485472227167 -51.19055431926397 -760.8506068314119 -51.19055431926397 -484.53994041163656 96.62595656870616 -760.8506068314119 96.62595656870616 -965.264405118969" pbc="F F F" Fe 0.02459374 0.05361021 0.11676155 -812.06075116 -129.74498451 -681.63000159 Fe 1.35042246 1.69291415 0.10945423 109.43471641 227.71032229 -170.19622453 Fe 1.38360995 0.07416381 1.22518920 791.71934088 -168.70840832 748.85400706 Fe -0.27843057 1.67526838 1.41779444 -89.09330613 70.74307054 102.97221906