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=0.417369572877667 stress="-0.7728219131255488 0.04070099333062053 0.1480630011991913 0.04070099333062053 -0.7574408021198369 0.1288800221564346 0.1480630011991913 0.1288800221564346 -0.7117260947595665" free_energy=0.417369572877667 pbc="F F T" Fe 0.29874826 0.05835534 -0.25354363 -6.98204059 -7.10639574 0.45181904 Fe 1.48193431 1.42001865 0.20070203 8.34874588 8.03641000 -4.91037982 Fe 1.20342959 0.28187239 1.36500085 9.72904850 -9.79438477 2.44228776 Fe 0.10170120 1.37793365 1.21904386 -11.09575378 8.86437050 2.01627302