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=-39.295965799126975 stress="0.00011905032593680391 9.74294411495222e-05 -4.427113233517757e-05 9.74294411495222e-05 0.0002034683675860909 7.67100030004546e-05 -4.427113233517757e-05 7.67100030004546e-05 8.148745403195383e-05" free_energy=-39.295965799126975 pbc="F F F" Fe 20.79585403 20.94809454 21.22094491 0.90244409 0.97379479 1.11376256 Fe 22.73171545 22.68190327 22.32183498 -0.96020205 -2.10228523 2.11801292 Fe 24.19672592 20.92485375 21.12990665 -0.51343025 1.03129336 0.84404590 Fe 25.28220450 22.78278197 22.56210000 2.69896764 -2.49117120 -0.80352532 Fe 21.23532979 23.70496306 21.07034430 -0.49500275 0.14019182 0.05777157 Fe 22.26756859 25.55473499 22.41561068 1.06718122 -1.50511534 0.99832197 Fe 24.13661615 23.90562635 21.12343602 -0.97458073 1.31338420 -1.90221647 Fe 25.29869006 25.61041876 22.26735611 -0.72577474 -0.52684958 1.18455016 Fe 20.83533445 20.74148635 24.08611608 1.44937109 1.52129650 -0.99653513 Fe 22.67671581 22.38097829 25.33372509 -0.79089920 0.63853810 -0.58110688 Fe 23.96375436 20.90583543 23.96506840 -0.52268433 0.46459607 -0.81428638 Fe 25.20178472 22.79874826 25.27290972 2.90324977 -2.05708691 3.83524790 Fe 20.88090187 23.71649510 24.05835534 1.34858694 -0.35162366 -0.69075683 Fe 22.24645637 25.48193431 25.42001865 1.05137925 -1.46725229 -1.41795703 Fe 24.20070203 23.70342959 23.95365880 -5.22398037 5.88010920 -1.71091087 Fe 25.49793547 25.78187239 25.51001192 -1.21462556 -1.46181983 -1.23441810