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=-5.949337503997439 stress="-12.371206431747428 -0.4581888830484049 -1.2848304274975486 -0.4581888830484049 -14.798623770195537 1.275875062286973 -1.2848304274975486 1.275875062286973 -8.879532120196368" pbc="F F F" Fe -0.21770305 0.02031036 0.18745344 -4.87343667 -3.62928777 -4.74635411 Fe 1.52015752 1.37970777 0.27711528 3.90056684 5.43485297 -3.99453775 Fe 1.37871118 -0.24786923 1.23125112 3.40559524 -5.48187757 5.29168043 Fe -0.28175649 1.63616082 1.26429260 -2.43272542 3.67631237 3.44921143