108 Lattice="10.43868540712482 0.0 0.0 0.0 10.43868540712482 0.0 0.0 0.0 10.43868540712482" Properties=species:S:1:pos:R:3:forces:R:3 energy=-356.76901515774665 stress="-0.011218357759669065 -0.00024051658444511028 0.000410176712350186 -0.00024051658444511028 -0.012443172865821589 -0.003055325508451949 0.000410176712350186 -0.003055325508451949 -0.012259195955998512" free_energy=-356.76901515774665 pbc="F F F" Fe 0.00078493 0.00121738 0.00757375 0.20522719 -0.02317028 0.28623858 Fe 1.75649318 1.69069770 0.03241205 0.17296339 0.30860163 -0.85077333 Ni 1.71202683 0.03055114 1.76454464 0.58847679 -0.43420197 -0.18922593 Fe 0.00540528 1.71273724 1.76515134 -0.53554189 0.45591691 0.19918861 Ni 3.50536889 0.02717777 0.03430387 -0.09274739 0.01298392 0.44569604 Fe 5.19117871 1.71931294 0.02162293 -0.20544172 0.43774659 -0.96101309 Fe 5.25204246 0.02200742 1.74681920 -0.82777904 -0.71912860 0.15554539 Fe 3.47781184 1.73806087 1.72896294 -0.20351894 -0.39889530 0.58458208 Fe 6.94090331 0.03473490 0.02190130 0.50416577 0.02696787 -0.25079163 Ni 8.72037241 1.71364829 0.02432762 -0.87195695 0.17051983 0.71511414 Cu 8.71329957 0.03423541 1.75992570 0.10940712 -0.16224055 -0.30103597 Fe 6.93843123 1.75850691 1.76021179 0.96143403 0.22755999 -0.45095743 Cu 0.00787837 3.50638499 0.03169215 -0.28695981 -0.14834838 -0.27576811 Fe 1.75339794 5.21197263 0.02318666 -0.28000418 0.85467880 -0.73758975 Cu 1.74440917 3.44814315 1.72382028 -0.31867242 0.10587935 0.41130360 Ni 0.00896171 5.24741484 1.70522906 0.22459535 0.24478436 0.61888542 Ni 3.44737689 3.50026138 0.03206651 0.46519322 -0.55354373 -0.29732457 Fe 5.25143763 5.23662185 0.00824362 -0.84302162 0.25829885 -0.50830531 Cu 5.22682366 3.45251248 1.72458052 -0.44167183 0.14591762 0.36123999 Cu 3.46731372 5.20254984 1.72901755 0.08890178 0.56968097 0.05430013 Cu 6.95375925 3.51420988 0.02354577 0.39298317 -0.64532526 -0.96613737 Fe 8.66558352 5.23035307 0.01145795 0.42362406 -0.22362021 0.05512274 Ni 8.70191950 3.49062386 1.72718712 -0.34793726 -0.16721131 -0.17980185 Fe 6.93741197 5.19476115 1.74566381 0.04310169 0.19031687 0.45187859 Ni 0.00766348 6.97150531 0.00573749 0.76891968 -0.40812734 0.33241488 Ni 1.71188593 8.67563286 0.01319262 0.42559458 -0.55996519 0.40076049 Fe 1.72643345 6.96489128 1.73443345 0.18638858 0.26666115 -0.26953990 Cu 0.02972772 8.67859467 1.72521135 -0.18273917 0.29482501 0.09877022 Ni 3.50152584 6.98435993 0.02817671 -0.34619951 -0.40345361 -0.05969202 Ni 5.19185873 8.72609645 0.00268735 0.25887361 -0.54100558 0.71200465 Ni 5.20699822 6.95418143 1.77473577 0.31336638 0.05397309 -0.44121938 Cu 3.48731398 8.70091409 1.74722953 -0.34294485 0.65495078 -0.32926920 Cu 6.96491088 6.95358130 0.02232543 -0.48248313 0.41392895 -0.81429865 Fe 8.73271246 8.71108538 0.00960893 -0.22222726 -0.10270597 0.14745532 Cu 8.67085957 6.96659073 1.75381543 1.00531774 -0.33363375 0.12481839 Fe 6.98285555 8.69981986 1.72217248 -0.72136255 0.38452350 -0.27764836 Fe 0.03171145 0.00032959 3.47020693 -0.28043896 -0.16326168 0.19103842 Ni 1.72887956 1.76942223 3.50714256 0.15673686 -0.46477920 -0.47510477 Fe 1.72283402 0.02999169 5.20978025 0.68840794 -0.18434997 0.51262081 Fe 0.02604987 1.77968539 5.21763230 -0.60454724 -0.13752878 0.56302329 Ni 3.48683440 0.04011432 3.48055764 -0.27351869 -0.24720397 -0.36277748 Ni 5.23866359 1.70536350 3.49844430 -0.18781195 0.60618191 -0.37534785 Cu 5.18696088 0.02739583 5.21094042 0.09324451 -0.85474621 0.54479834 Ni 3.49856571 1.76163785 5.19905304 -0.33859877 -0.38857369 0.58969233 Cu 6.94990602 0.02222014 3.48553965 0.29961442 -0.84893537 0.34673971 Cu 8.71760302 1.74779466 3.45296088 0.75845311 0.14968159 0.19340960 Ni 8.71192378 0.03300664 5.21982253 -0.85664555 0.59826516 0.16305611 Fe 6.96272019 1.76893802 5.21550505 0.31284475 -1.02103018 0.22596008 Ni 0.02723841 3.49715146 3.47458939 -0.37146732 -0.13328894 -0.25584018 Fe 1.73791239 5.19214163 3.50605657 -0.50716393 0.35786012 -0.76814620 Cu 1.75885455 3.48882963 5.18896579 -0.23932201 -0.37995271 0.77420690 Ni 0.03517419 5.20298869 5.22805340 -0.26450148 0.41471802 -0.26968689 Cu 3.44973242 3.45366085 3.47801696 0.56425115 -0.18153467 -0.08561086 Ni 5.15348114 5.20138179 3.44872101 0.54169603 -0.02842535 0.44783265 Cu 5.22918201 3.47917589 5.20030156 -0.40932113 0.24528320 0.21625627 Fe 3.44971176 5.23546179 5.20852137 0.73238212 -0.37214291 0.41883368 Cu 6.93994739 3.47635740 3.48446762 0.06733120 0.29806886 -0.30863867 Ni 8.65138262 5.19570817 3.44730116 0.24933470 0.06893436 0.36427411 Fe 8.67364615 3.46827625 5.19056997 0.79015348 0.27977053 -0.00806541 Ni 6.98680651 5.19184694 5.24714793 -0.48175065 0.46618182 -0.17094081 Fe 0.00159765 6.96221473 3.46000973 -0.20141360 -0.24111244 0.21020369 Ni 1.74872168 8.71930027 3.48768768 0.17270497 -0.66090352 0.09947513 Cu 1.75748040 6.94549971 5.24207654 -0.22421041 0.37779777 -0.35792752 Cu 0.01954641 8.68286014 5.23122383 -0.27879297 0.24314955 -0.17060709 Fe 3.48316734 6.98157799 3.51053766 -0.37504262 -0.03336460 -0.65724261 Fe 5.21345060 8.68559449 3.46248065 0.25759375 0.77872529 -0.10798596 Cu 5.21262921 6.95558241 5.18664490 0.30429128 -0.63528297 0.55259489 Fe 3.51171449 8.68554109 5.24278455 -0.79113445 0.86154379 -0.15623699 Cu 6.94461643 6.92443696 3.49127054 0.17722758 -0.19822576 0.11859672 Cu 8.69197184 8.69917731 3.46743364 0.21523041 0.03535055 0.29194901 Ni 8.68959861 6.96287695 5.24272598 -0.21899907 -0.21360485 -0.15111790 Cu 6.94818260 8.72034910 5.20859823 0.20314404 0.45166960 0.28511079 Ni 0.02367084 0.00356220 6.96821968 0.48394106 0.73520488 -0.39384975 Ni 1.75723302 1.71296512 6.97368694 -0.40112910 0.30338136 -0.30327555 Cu 1.73372815 0.00480069 8.71240922 0.07658818 0.10463223 0.07252673 Ni 0.00855574 1.71795249 8.70067632 0.36368981 0.07171712 -0.65041027 Ni 3.44345469 0.02505166 6.99348178 0.06261539 0.06439036 -0.48297127 Cu 5.24675971 1.72464765 6.96844394 -0.80824541 0.16325475 -0.18212937 Cu 5.20197205 0.02456424 8.69007913 -0.31873930 -0.37263060 0.11149026 Ni 3.47331040 1.74441598 8.72664681 0.16159545 0.23734711 -0.22070375 Ni 6.94732049 0.03728897 6.98532633 0.41172302 -0.01006521 -0.37583313 Cu 8.69138252 1.70961049 7.00058987 0.74540661 0.14348708 -0.35746784 Fe 8.73009700 0.01853163 8.71137945 -0.48814369 0.04407665 -0.36293380 Cu 6.93049609 1.76647142 8.70183935 0.44592359 -0.07966480 1.02903123 Ni 0.01612786 3.47879612 6.95834823 -0.01541831 -0.26070252 -0.02714641 Cu 1.75959071 5.20664000 6.93331809 -0.06146505 -0.20367878 0.49120137 Cu 1.71280607 3.44689674 8.67841758 0.27283244 -0.22014018 0.64421744 Fe 0.00361786 5.19769712 8.71134988 -0.22518938 -0.16722824 -0.17246960 Ni 3.46506771 3.45766760 6.94702756 0.16785568 -0.01187496 0.08584315 Ni 5.21250910 5.20277438 6.97161120 -0.11446654 0.07415178 -0.49153310 Fe 5.22600155 3.47915252 8.68430396 -0.56509080 0.26115409 0.32158487 Ni 3.50049304 5.20993718 8.66694351 -0.19785007 0.07958395 0.16095442 Fe 6.96737958 3.46543953 6.95099143 0.17894363 0.68603021 0.66706335 Fe 8.67865679 5.22180503 6.95552262 0.60408631 -0.17801656 0.53308767 Ni 8.70725150 3.47384871 8.72484787 -0.81661397 0.46854718 -0.87600804 Ni 6.93454237 5.24691315 8.68516747 0.23130984 -0.58642611 -0.21032633 Fe 0.02694883 6.93940972 6.95037723 -0.50837067 0.15254412 -0.03832970 Ni 1.72329738 8.71266789 6.92478534 0.23399475 -0.57218271 0.26380590 Fe 1.72530494 6.93968219 8.70199818 0.31487502 0.04995535 0.21061999 Fe 0.01876482 8.72042813 8.67871651 0.32837676 -0.14518366 -0.34793617 Fe 3.48579425 6.97048741 6.97553123 -0.17947000 -0.33125158 -0.03954199 Fe 5.19357634 8.70648493 6.95408907 0.35388669 0.50851941 0.10434433 Cu 5.19010509 6.99274399 8.69698912 0.24684817 -0.52899278 0.75078604 Cu 3.45034954 8.67724693 8.67562917 -0.29052104 0.48818749 0.20851966 Cu 6.95448782 6.94245959 6.97484894 -0.03660266 0.04043552 -0.40345797 Cu 8.72315741 8.66284558 6.98550776 0.15413136 0.07652758 -0.43418182 Cu 8.72768413 6.94187628 8.68536368 -0.02999674 -0.38200234 0.20993060 Cu 6.94477200 8.69647468 8.67602816 -0.04659713 0.19783945 0.08217611