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=-10.518066581720086 stress="-0.5477637958695462 0.051304444617940474 -0.0690799830043838 0.051304444617940474 -0.5473747300338301 -0.07515857760148374 -0.0690799830043838 -0.07515857760148374 -0.4792538868002934" free_energy=-10.518066581720086 pbc="T T T" Fe -0.14459490 0.11115480 -0.01275680 4.05090675 -2.83114482 -4.21383099 Fe 1.70960170 1.31143450 0.04092907 -6.31874201 1.93379395 -5.87005846 Fe 1.28829595 -0.16490224 1.34907360 -2.33573412 -0.61832308 3.75980442 Fe -0.22187219 1.51878885 1.19384663 4.60356938 1.51567396 6.32408503