864 Lattice="21.227784103842247 0.0 0.0 0.0 21.227784103842247 0.0 0.0 0.0 21.227784103842247" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3238.9396942029643 stress="-96.5281462213649 5.764758383773966 -1.6599214215730385 5.764758383773966 -97.6161393182044 0.1982647172555403 -1.6599214215730385 0.1982647172555403 -79.9133661073459" pbc="F F F" Cr -0.00479451 0.03428268 0.02403999 -0.17970725 -0.70657261 -0.73050480 Cr 1.82395661 1.77154258 -0.00986333 -0.18148344 0.46442002 -0.76229089 Cr 1.75456779 0.00497971 1.75888003 0.55281752 -1.03307847 0.40967387 Fe 0.03435505 1.73673094 1.73581148 -0.21929200 1.75380191 1.25181817 Cr 3.53590757 0.02158060 -0.02556481 0.36424670 -0.52598937 -0.07370978 Cr 5.33680259 1.73821469 -0.01767515 0.01985102 0.64723751 -0.34317705 Fe 5.29770848 -0.01251769 1.77490118 -0.20663168 0.19563668 0.03723764 Ni 3.50909318 1.77443980 1.78328424 0.77930542 0.64574524 0.37046523 Cr 7.10302064 -0.01258390 -0.00743233 -0.25943896 -0.36011040 -0.11251287 Cr 8.90600653 1.76424946 -0.00128657 -0.63993441 0.07563311 -0.62739478 Cr 8.82887218 0.03025678 1.75541007 0.04911633 -0.81212839 0.54079193 Cr 7.08756483 1.74563788 1.80830952 -0.50812154 0.17469676 0.00192654 Fe 10.64765560 0.00827430 -0.01709145 -0.04566614 0.15613566 0.41321045 Ni 12.41561500 1.73900150 0.01375406 -1.10911681 0.96635744 -0.35953644 Cr 12.40336608 0.00361452 1.75474024 -0.55825217 -0.45906899 0.42168119 Fe 10.61549799 1.73658578 1.79628704 0.13811854 0.36954735 -0.00154874 Ni 14.14884094 -0.00854914 0.00954623 0.16562410 -0.01260500 -0.45733960 Ni 15.95512279 1.78796689 0.03154957 -0.17498899 -0.03942110 -1.00551159 Cr 15.89566172 -0.01881348 1.77612834 0.84490297 -0.35881864 0.38942903 Cr 14.13456216 1.78598588 1.75870501 -0.00703289 0.56135281 0.52620181 Cr 17.73108387 -0.01975734 0.00008666 -0.33491223 -0.18671217 0.26617129 Cr 19.44753730 1.73560195 0.00520175 0.23159160 0.26485252 0.18756087 Fe 19.48561840 -0.02575339 1.76524217 -0.26025818 0.26664253 0.36020559 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19.44424278 -0.32035777 -0.18868167 0.22288922 Ni 14.15893461 12.37984192 19.48795461 -0.39234000 -0.23878361 -0.39094605 Ni 17.71669548 10.59279980 17.71177167 -0.93576891 -0.48135170 -0.33995853 Ni 19.42671947 12.43549363 17.70774634 0.89469093 -0.36278605 -0.86308052 Cr 19.42948160 10.59471945 19.44059335 0.84206608 -0.17677064 0.50922980 Ni 17.68335324 12.35126936 19.42387231 -0.56934828 0.74511474 0.69878643 Fe 0.03694450 14.17874250 17.70559446 -1.00332547 -0.37133470 -1.16100904 Fe 1.76332867 15.89872660 17.68654498 0.50005261 0.50217060 -0.28587282 Cr 1.73409813 14.13946875 19.43592960 1.18612888 0.37343914 1.37307888 Fe 0.02724235 15.90022469 19.46600243 -0.10235682 0.47605307 -0.21850891 Ni 3.54114434 14.18679608 17.70744692 -0.39721758 -0.66015057 -0.82771652 Cr 5.29819703 15.91403098 17.70830378 0.18608851 -0.17088871 -0.90920636 Fe 5.29785247 14.18694627 19.46413442 0.10214579 -0.32605720 0.28211540 Cr 3.51637226 15.92289387 19.43203562 0.18669228 -0.03198884 0.81601168 Cr 7.09855367 14.15689999 17.71860261 -0.65201774 0.02023531 -0.54586973 Cr 8.85797190 15.90448270 17.66664196 -0.36294552 0.30220382 0.65614992 Cr 8.87667706 14.13720280 19.48259873 -0.20784046 0.65420502 0.49895338 Cr 7.08475044 15.91762977 19.47153383 0.29982125 -0.04502830 0.54524655 Cr 10.62121368 14.13063278 17.69062754 -0.14229880 0.35903387 -0.19545846 Cr 12.39543528 15.93503128 17.71497319 -0.17136173 -0.48169501 -0.42140471 Fe 12.39732789 14.14950556 19.48147994 0.04845780 -0.17784790 -0.42255891 Fe 10.62618253 15.93993272 19.43190699 -0.27301220 -0.42233128 0.24787038 Ni 14.17652554 14.17565574 17.67448675 -0.66947125 -0.54303703 0.04654364 Fe 15.90339801 15.91040910 17.66040372 0.41429681 0.52144576 0.33754988 Fe 15.89737672 14.18313244 19.40161504 0.37784289 -0.90631436 0.36920124 Fe 14.13820029 15.89357847 19.46562660 0.09514751 0.51627819 0.29917442 Ni 17.71087626 14.16937223 17.70700574 -1.00144447 0.26172044 -0.26605564 Cr 19.43881688 15.91225038 17.70547994 0.68818200 0.14143184 -0.45094986 Ni 19.43977913 14.09133350 19.45147062 -0.38407832 0.38430998 0.38000659 Fe 17.65647091 15.92383394 19.40905784 0.35335625 0.18838425 0.41949363 Fe 0.02647234 17.66956751 17.64980760 -0.37932592 0.14182102 0.33286047 Cr 1.75195253 19.43906938 17.72212260 0.13275800 0.63308340 -0.49740337 Ni 1.78094859 17.65893145 19.43209509 -0.58646918 0.22684191 0.53416758 Fe -0.01489719 19.44116900 19.43226527 0.47310579 -0.74322891 -0.37064967 Cr 3.54866777 17.70453956 17.72360651 -0.37194909 -0.65538688 -0.65606997 Ni 5.30976853 19.44788003 17.72346547 0.39819713 0.77438375 -0.38702906 Cr 5.33321801 17.66918285 19.48172563 -0.42463896 0.02430092 0.73348549 Fe 3.50158238 19.48593986 19.44201319 0.39211262 -0.47751947 0.01738843 Cr 7.10057514 17.67444703 17.68281155 0.29599975 0.33991431 -0.36316442 Fe 8.87066517 19.49141752 17.70920073 -0.56267355 -0.19076351 -0.17252463 Fe 8.85511411 17.69612441 19.45236377 -0.36515434 -0.32991231 0.08511402 Ni 7.06413375 19.42897782 19.45502841 0.73708142 0.19506859 -0.22456252 Ni 10.57872423 17.68287844 17.70536067 0.36693711 0.39465053 0.41352714 Cr 12.38380352 19.48757221 17.66408211 -0.45505588 0.47101315 0.46268153 Ni 12.37072478 17.67659119 19.47543998 -0.29360218 -0.27075846 0.21165749 Fe 10.58030635 19.49061450 19.48126428 0.40986685 -0.65026624 -0.50086812 Fe 14.12482713 17.67983686 17.67599208 0.61280757 0.50400338 0.34228528 Cr 15.89193789 19.48871187 17.66535053 0.43492891 0.31914763 0.21108118 Ni 15.94333957 17.66554517 19.48963745 -0.30988062 -0.67212525 -0.22682342 Cr 14.15397283 19.46846889 19.44102507 0.01038327 -0.01239548 0.15732737 Cr 17.66520889 17.71676397 17.65778599 -0.34816250 -0.73351721 0.97647387 Ni 19.43072801 19.47724515 17.69354441 -0.27306808 0.02320293 -0.33292390 Ni 19.45319335 17.70136295 19.45614701 -0.23833471 -0.06298144 0.33036646 Fe 17.71003749 19.47678142 19.48087841 -0.48865419 -0.79705460 -0.82025136