16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.83541677678402 stress="16.931409634809945 -2.759863244181146 1.032439697071713 -2.759863244181146 18.389503716840046 1.248639091587016 1.032439697071713 1.248639091587016 17.4530902746897" pbc="F F F" Fe -0.15873180 -0.15859300 -0.18331863 0.70434306 0.87719604 1.19649615 Fe 1.12164867 1.24396547 1.59073906 1.24825115 0.93777351 -0.96998298 Fe 3.27219963 -0.06618674 0.13132919 -0.92990428 0.77714979 0.63500202 Fe 4.75978669 1.22592512 1.28504734 -0.77054773 1.27509139 1.09342875 Fe 0.18365717 3.20288723 0.08343331 -0.22467076 -1.51297945 -0.86641093 Fe 1.29585403 4.22100426 1.60184678 2.21292014 1.18622985 0.77176569 Fe 3.23171545 3.18190327 -0.17816502 -0.63169745 -0.78576426 1.68194303 Fe 4.71219253 4.42485375 1.62990665 -0.55307103 -0.91464451 0.19951759 Fe -0.21779550 0.28278197 3.06210000 0.25345685 0.03554828 0.22267942 Fe 1.63362859 1.32702941 4.57034430 0.08792551 1.19329238 -1.35931852 Fe 2.90989132 0.05473499 2.97396603 -0.04887457 0.92067539 -0.70754677 Fe 4.63661615 1.40480033 4.37719504 -1.29056893 0.82338290 -1.28856716 Fe -0.20130994 3.11041876 2.76735611 0.21761628 -1.45352874 1.05087860 Fe 1.33533445 4.24148635 4.58611608 0.87430392 -1.02724734 -1.32247740 Fe 3.03369179 3.02598936 2.72329650 -0.24966409 -1.31187967 0.32682237 Fe 4.46375436 4.40583543 4.25559716 -0.89981806 -1.02029554 -0.66422987