64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=182.5386653146181 stress="-634.7593888123301 -207.12141083735332 159.1041767059155 -207.12141083735332 -692.5886816812379 -385.60821613760925 159.1041767059155 -385.60821613760925 -580.0070857003038" pbc="F F F" Fe 0.00523341 -0.17761297 -0.05990479 0.07306584 0.03102967 -0.19778394 Fe 1.08181971 1.21239388 1.32522024 0.44863183 -8.13663950 -1.32996753 Fe 2.28191432 2.20725206 0.28403801 2.19436411 2.56245636 -6.08816385 Fe 3.42782136 3.07056454 1.67608622 2.67219475 0.73765620 2.87516866 Fe 2.83549577 0.18639994 2.93755576 -168.99517137 -304.89434346 -226.61903026 Fe 3.25315921 0.94106352 3.49715314 169.76223917 305.81476847 226.30142411 Fe 0.16871058 2.20754167 2.58603634 -26.79517866 -38.48778797 -9.10073259 Fe 0.84429088 3.48134494 3.02499602 18.25647414 37.54004722 18.13896486 Fe 4.89559738 0.34139539 -0.10950700 0.12967408 0.52393303 0.24968044 Fe 5.80717428 1.40632809 1.70788262 -6.00467420 -69.76674115 -43.36119207 Fe 7.05081959 2.44040480 0.19800551 -0.12188110 0.28848546 -0.73438622 Fe 8.79327054 2.91993753 1.68221554 -0.07944515 -0.96997650 0.80671979 Fe 7.15967280 -0.35167399 1.52515556 0.34270251 0.55746567 -0.00146623 Fe 8.68279820 1.20021902 3.84981078 -0.76923546 0.23929251 -0.72802533 Fe 5.88006059 2.58703377 2.46655420 5.30549964 67.91337718 43.46357910 Fe 5.57096108 4.32695182 3.52426087 5.66205723 -5.10832184 -1.02462244 Fe 0.02520538 4.54192294 -0.23356874 1.38477485 -0.00710015 1.24666102 Fe 1.86277129 6.32145120 0.73092730 -11.95112954 -34.90856671 10.10714994 Fe 2.32232355 7.75245513 0.30851813 9.96955552 34.99306814 -11.06874061 Fe 3.77832112 8.64875082 1.63593424 -17.64481107 14.81494411 -10.11556537 Fe 1.98584201 4.77015703 2.33154811 4.46358659 5.42243748 -2.30154450 Fe 4.52427213 5.85469812 3.44879001 -5.17661551 6.96553461 -0.15191204 Fe -0.27975187 7.09369117 2.40285529 1.01537703 -0.70570022 -0.19934134 Fe 1.37225292 8.58070892 3.15595108 0.64856179 -0.58680449 -0.73600535 Fe 5.18459869 4.50340440 0.24145329 0.62005471 -0.38488874 1.49601308 Fe 6.30621153 7.09092126 0.91423803 -59.36233734 -13.29301667 64.65796741 Fe 7.23983773 7.27624276 -0.09401003 60.20750074 11.23931108 -66.20831962 Fe 8.82362937 8.66001167 0.52450077 0.32520703 0.39203504 0.55549280 Fe 7.80466372 4.83412345 2.27692205 -15.63955135 -13.97619351 -16.12314916 Fe 8.69295160 5.77372778 3.28580305 14.27243716 14.12393391 15.76739207 Fe 4.95091272 7.75116796 2.34887647 13.28556616 -17.21083556 10.98791901 Fe 6.17918031 9.03132498 3.02789770 4.14661454 3.83794201 2.17064019 Fe 0.50990627 0.12907988 5.40739773 -3.33542019 -16.58944905 -13.09003271 Fe 0.79564458 1.43465334 6.41439489 13.08502400 3.50139059 8.19139430 Fe 2.55284866 2.95061823 5.14686927 -3.31993588 -2.39603330 -2.51321416 Fe 3.76887606 3.94228831 6.31984167 -33.85076663 -20.67595313 35.76691952 Fe 2.49371028 -0.09186305 7.48689016 -1.66590918 -1.33899244 -1.82889207 Fe 3.68436667 1.16852401 8.53430766 -0.03767251 -1.04289817 2.91804173 Fe -0.10476138 2.81538490 6.90481017 -8.01298168 14.39141526 4.30941096 Fe 2.12284358 4.42638375 8.68611703 3.47910757 -5.45193054 20.24703657 Fe 5.64292692 -0.15340650 4.93202499 -0.18350296 0.98756921 -0.03629238 Fe 6.31254974 1.61866329 6.88527590 2.60041597 -2.15438940 -0.73467754 Fe 7.79702065 2.81303236 5.35805007 -109.94752913 -132.87272790 -76.61142095 Fe 8.50788121 3.67789977 5.85283250 112.95515377 117.63153934 56.74270129 Fe 8.25033003 -0.09650010 7.34910116 -0.42068089 0.35545683 -0.43607971 Fe 8.41823016 1.21560497 9.16033207 -0.95439349 0.81909535 -0.66683159 Fe 4.66859580 2.59794435 7.58127258 -1.37785430 1.84974256 -0.57962290 Fe 6.35141817 3.43491984 8.56493339 2.30177418 0.66157382 0.82680156 Fe -0.12698634 5.59257840 5.46722944 -2.40627294 -3.91537399 -3.96137074 Fe 1.04727277 6.70092724 6.62187231 187.71637583 -26.01778049 -122.03514576 Fe 2.80922846 7.79102237 4.98961244 0.59614552 -1.07839279 -0.84700743 Fe 3.09416630 8.91236119 6.90891655 -0.55526392 -0.46612313 1.31740211 Fe 1.83327444 4.78933424 7.07494832 -3.96761446 2.16027161 -20.47264344 Fe 3.26107814 6.40920182 8.20336545 -1.19453865 0.56331768 0.58588365 Fe 0.07580297 6.86642663 7.27412410 -185.02607761 32.69422944 126.24267839 Fe 1.03027025 8.74816812 9.00226294 0.67615792 -1.05745333 -1.44635075 Fe 4.73526220 4.61355590 5.40792579 35.16239544 24.51396705 -31.46765077 Fe 5.76259864 6.54039169 6.18971720 170.17848241 -78.14853564 -134.44760131 Fe 7.22597920 7.08904193 4.47613502 -0.60990168 0.40846208 -0.40677772 Fe 8.75493026 8.79595331 6.72595987 -1.17522234 -1.54687364 0.56254157 Fe 8.24898443 4.69720239 7.13451591 -4.59743025 15.06266121 18.72351311 Fe 8.62827945 6.31549816 8.63957126 -0.36764339 1.61299343 -0.37273623 Fe 4.89619724 6.93816087 6.87741829 -168.68807795 79.03492715 134.22011873 Fe 6.30060084 8.82039202 9.10534990 0.29754870 -1.05650734 -1.43491936