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=15.572102080123104 stress="-2.4894683713605956 0.23448691532929047 -0.6980183298662452 0.23448691532929047 -3.6407534063910965 -0.28540007873789514 -0.6980183298662452 -0.28540007873789514 -5.147585994497141" free_energy=15.572102080123104 pbc="F T T" Fe 0.02031036 0.18745344 0.02015752 -27.90889988 -8.91468236 -2.92189430 Fe 1.37970777 1.77711528 -0.12128882 25.58336422 -27.04902182 -10.82604534 Fe 1.25213077 -0.26874888 1.21824351 28.82539299 23.54257995 28.64834105 Fe 0.13616082 1.26429260 1.62968218 -26.49985733 12.42112422 -14.90040140