16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-41.04209248234015 stress="0.00024354512099121524 1.601972519834108e-05 -1.9693908584929003e-05 1.601972519834108e-05 0.00030076898754638785 1.8983465164344375e-05 -1.9693908584929003e-05 1.8983465164344375e-05 0.00024328702846734116" free_energy=-41.04209248234015 pbc="F F F" Fe 20.91986395 20.74396547 21.09073906 1.13703919 1.36720931 1.37802739 Fe 22.77219963 22.43381326 22.63132919 -1.92850749 -1.77520286 -2.23280974 Fe 24.25978669 20.72592512 20.78504734 -0.61524264 1.64908389 1.80253451 Fe 25.68365717 22.70288723 22.46433518 -1.00137518 -0.21680726 0.59728279 Fe 20.79585403 23.94809454 21.22094491 1.14158543 -0.85082988 1.18121455 Fe 22.59308205 25.68190327 22.32183498 -0.02347435 -1.49397502 0.73270831 Fe 24.21219253 23.92485375 21.12990665 -0.64897042 -0.17166930 0.26030439 Fe 25.28220450 25.78278197 22.56210000 -0.72676639 -1.17543554 0.58159784 Fe 21.13362859 20.82702941 24.07034430 0.98564630 1.18389180 -1.01133677 Fe 22.54852473 22.55473499 25.41561068 0.21498202 0.06334227 -0.57915443 Fe 24.13661615 20.90480033 23.87719504 -0.45865185 0.81903547 -0.60145432 Fe 25.29869006 22.61041876 25.26735611 -0.60146736 0.77046364 -0.69975016 Fe 20.83533445 23.79984170 24.08611608 1.33317578 -0.21035267 -1.00925599 Fe 22.53369179 25.52598936 25.22329650 0.45082684 -0.81342384 -0.75265021 Fe 23.71021073 23.90583543 23.75559716 1.60824278 2.02188494 1.31882480 Fe 25.20178472 25.79874826 25.27290972 -0.86704265 -1.16721496 -0.96608296