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=-4.238352366927577 stress="-20.042810570918718 2.6029234104109102 -4.515157351742573 2.6029234104109102 -14.151828151205494 0.7822860503737168 -4.515157351742573 0.7822860503737168 -18.96916769715756" pbc="F F F" Fe 0.04852473 0.05473499 -0.08438932 -7.95069867 -3.58589329 -8.93700615 Fe 1.63661615 1.40480033 -0.12280496 3.06210570 5.44832966 -4.13079470 Fe 1.29869006 0.11041876 1.26735611 11.08555376 -7.96280972 9.47217820 Fe -0.16466555 1.24148635 1.58611608 -6.19696079 6.10037335 3.59562265