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=-39.835416776784044 stress="0.00022853106622948275 -3.725115058013654e-05 1.3935316071046846e-05 -3.725115058013654e-05 0.0002482116363896995 1.6853459286078922e-05 1.3935316071046846e-05 1.6853459286078922e-05 0.0002355724310912656" pbc="F F F" Fe 20.84126820 20.84140700 20.81668137 0.70434306 0.87719604 1.19649615 Fe 22.12164867 22.24396547 22.59073906 1.24825115 0.93777351 -0.96998298 Fe 24.27219963 20.93381326 21.13132919 -0.92990428 0.77714979 0.63500202 Fe 25.75978669 22.22592512 22.28504734 -0.77054773 1.27509139 1.09342875 Fe 21.18365717 24.20288723 21.08343331 -0.22467076 -1.51297945 -0.86641093 Fe 22.29585403 25.22100426 22.60184678 2.21292014 1.18622985 0.77176569 Fe 24.23171545 24.18190327 20.82183498 -0.63169745 -0.78576426 1.68194303 Fe 25.71219253 25.42485375 22.62990665 -0.55307103 -0.91464451 0.19951759 Fe 20.78220450 21.28278197 24.06210000 0.25345685 0.03554828 0.22267942 Fe 22.63362859 22.32702941 25.57034430 0.08792551 1.19329238 -1.35931852 Fe 23.90989132 21.05473499 23.97396603 -0.04887457 0.92067539 -0.70754677 Fe 25.63661615 22.40480033 25.37719504 -1.29056893 0.82338290 -1.28856716 Fe 20.79869006 24.11041876 23.76735611 0.21761628 -1.45352874 1.05087860 Fe 22.33533445 25.24148635 25.58611608 0.87430392 -1.02724734 -1.32247740 Fe 24.03369179 24.02598936 23.72329650 -0.24966409 -1.31187967 0.32682237 Fe 25.46375436 25.40583543 25.25559716 -0.89981806 -1.02029554 -0.66422987