108 Lattice="11.980885615841892 0.0 0.0 0.0 11.980885615841892 0.0 0.0 0.0 11.980885615841892" Properties=species:S:1:pos:R:3:forces:R:3 energy=-513.4431465168507 stress="-0.001916429836781742 -0.0006545022453439068 0.0010435737396357278 -0.0006545022453439068 -0.0004142530691767469 0.005809442159308491 0.0010435737396357278 0.005809442159308491 -0.0007243483802561035" free_energy=-513.4431465168507 pbc="F F F" Zr 0.02630114 0.02365218 0.00031107 -0.79398568 -0.75732810 -0.91878024 Zr 1.97615582 2.02736395 0.01315473 1.68244343 1.60186494 -0.99218896 Zr 2.03006813 0.00197479 1.96219495 1.63639994 -0.81913775 1.85552819 Zr 0.00478195 2.00145995 2.01524258 -1.08893588 0.63960438 0.87340674 Ni 3.96287184 0.01528559 0.00072838 -0.20686788 0.44375737 0.45583452 Zr 6.00970056 1.96269935 0.03038850 -0.93044268 1.88888912 -0.19174157 Zr 5.97484759 0.03596308 1.99202171 -1.67596104 -0.23723530 0.90032508 Ni 4.02601945 1.96715538 1.96905898 -0.50683922 0.24552497 0.26959168 Zr 7.99628133 0.01098930 0.00077376 0.07666033 -0.95446003 -0.86347187 Zr 9.97740888 1.99155979 0.03816158 0.12869939 0.95323316 -0.79303620 Zr 9.99312312 0.02822738 2.04729436 1.03813471 -1.12848298 -0.10317215 Ni 7.94675316 2.00908719 1.98365314 0.06016617 0.62940307 0.20661848 Ni 0.00317804 3.95521770 0.02819086 0.36114681 -0.22816624 0.64336068 Zr 1.98496327 5.97704276 0.01203327 -0.95117652 -0.75429487 -1.20398278 Ni 1.95700627 4.01026887 2.03147200 0.01282139 -0.82027721 -0.62635396 Zr 0.02577900 6.05045371 1.98139349 -1.29199282 -0.04679098 -1.46425103 Ni 3.92253020 3.98903535 0.02351132 0.23891168 0.01499110 0.78491229 Zr 6.03037226 5.97029736 0.02971039 0.79480863 -0.79980868 -1.14757018 Ni 6.00586538 3.97663413 2.03162118 0.38989062 -0.86492540 -0.20503905 Zr 3.94277690 6.03640548 2.03099980 0.23788473 0.16308704 -0.40530884 Ni 7.94975963 3.98193626 0.01547280 0.38754813 -0.43713477 0.40128696 Ni 10.00408046 5.94013072 0.02751754 -0.64614584 0.15569427 0.06397862 Zr 10.01871657 4.01966128 2.00647077 0.04644476 0.54494752 0.07423137 Zr 8.00553906 6.00026354 2.00750511 0.14946792 -0.13047564 -0.18263653 Ni 0.01946215 7.97712409 0.02310937 0.90964036 0.51614323 0.91373029 Ni 2.01585631 9.95516805 0.03758063 0.18522976 -1.13959174 1.22383309 Ni 2.00824031 8.00299557 1.96195104 -0.24583278 1.07162544 -0.37326759 Ni 0.00036499 9.97679549 2.02554335 0.70209009 -0.94169811 -0.52346511 Zr 4.02958978 7.96391680 0.00793163 -0.95114973 1.71792822 -0.22629729 Zr 5.97708962 9.93246954 0.01134819 1.17846151 0.10497582 0.91931738 Ni 5.99897792 8.01418370 2.01244832 0.46768421 0.84392313 0.09193159 Ni 4.04544337 9.99311374 2.03660044 -0.16533824 -1.16114202 0.19337454 Ni 8.00127648 7.95393512 0.02023077 -0.07645720 0.45805152 0.56915992 Zr 9.96816663 9.96987161 0.03813162 -0.95418945 -0.08111200 0.16527151 Zr 10.00003947 7.95892343 1.97806457 0.07766279 0.27681347 0.98615249 Ni 8.00844575 9.96436286 2.01471293 -0.01685112 -1.09986425 0.15920955 Ni 0.03389360 0.00979530 4.00643023 0.69841074 0.82432739 -0.10188483 Ni 1.99446626 2.03539177 3.99923986 -0.21683175 -0.76728140 -0.38698183 Ni 1.96843489 0.00900004 5.96008409 -0.42951558 0.94424687 -0.08654332 Ni 0.02649064 1.96578437 6.00304763 0.95919505 -0.52627025 0.16304792 Ni 3.99787765 0.02004337 3.98782948 0.04582704 0.85555215 0.32038469 Ni 5.97798242 2.03658905 3.97959894 0.31421889 -0.26200332 -0.80733494 Ni 5.98386749 0.03935508 6.04775894 0.09547977 0.51587523 0.15761931 Zr 4.02143430 1.99828406 5.99929092 -0.32414547 -2.08985273 0.21897144 Zr 7.97990879 0.02614722 3.96009942 -1.06146060 -0.81173097 0.71364772 Zr 10.01105623 2.01782857 3.96719718 1.04939802 0.11065869 -0.12817451 Ni 9.96017296 0.02980194 5.96331793 -0.26715456 0.48603019 0.19347844 Zr 7.99710631 2.00169700 5.99445918 -0.62827114 -1.18789936 1.86398769 Zr 0.02111528 3.96625171 3.97432908 -1.43871834 -1.58328661 -0.07591457 Zr 2.00792915 5.99281312 4.01232418 1.07425986 2.16337250 0.37455895 Zr 2.00444081 3.97769980 5.97684597 0.37514368 -0.72924284 2.03805951 Zr 0.00789260 6.01604761 6.01951653 -1.17177683 0.98296790 0.76227412 Zr 3.94678450 4.01880472 3.99097037 0.45283939 -2.17267056 -2.31683544 Zr 6.01257289 6.02357723 3.99642439 -0.06618762 1.84589293 -0.12553705 Zr 5.95690167 3.97278899 5.95585792 0.35810250 -0.80485460 1.23799869 Ni 4.02427007 6.00280400 6.00094577 -0.57089628 0.56717398 0.33394943 Ni 7.93793458 3.98558719 3.99952876 0.09797743 -0.54363430 -0.71294227 Ni 10.00861244 5.99643777 4.02403816 -0.61868358 0.18344826 0.21644627 Zr 9.97462249 4.02739943 5.96699213 1.33821488 -0.29417355 0.03409649 Zr 8.02012446 5.97446719 5.99367910 0.71996919 2.20783117 -0.54041940 Zr 0.00464163 8.02550365 3.98572806 -1.07868977 1.45459059 0.04514470 Zr 1.97216121 10.01480044 3.99173067 0.12426622 -0.00334538 -1.00671439 Ni 2.04111937 7.97211537 6.00809882 -0.25345934 0.14230556 0.04273247 Ni 0.00922473 9.99148251 5.98784100 0.74466687 -0.60770176 0.25865325 Ni 4.02609932 7.99627615 3.97285736 -0.03136196 0.56016796 -0.00805837 Ni 5.96472008 9.99373791 4.02150162 -0.00748063 -1.16767901 -0.39845776 Ni 5.96751133 7.96391541 5.98944009 0.28297017 0.46893584 -0.43738072 Zr 3.97911919 10.01507127 5.95089880 0.79500159 0.15878354 -1.56466233 Ni 7.97323814 8.00962396 3.99418079 0.38131027 0.75826616 -0.15481028 Ni 9.94871129 10.00100104 3.98075173 -0.65063581 -0.73709022 -0.35359870 Ni 9.95869046 8.04099977 5.97555204 -0.42925053 -0.12324808 -0.15215144 Zr 8.04337873 9.98823308 5.95556497 -0.22907791 -0.61610375 -1.54638675 Ni 0.00687348 0.03394350 7.97180856 1.24889427 1.14690987 0.00585808 Ni 1.99505373 2.03353933 7.98396260 -0.16943221 -0.88499868 0.36077774 Ni 2.04410347 0.02963710 9.99863451 0.14074681 0.95994969 -0.83715989 Zr 0.00899644 1.99255692 9.94507394 0.22002096 -1.48214063 -0.11138742 Zr 3.99719705 0.02550113 8.00806857 -1.07052747 -0.10997995 -0.00641463 Ni 6.00314656 1.95433063 8.00795759 0.26900053 0.03344326 0.47314607 Zr 5.99563915 0.01136683 9.96414577 0.91825292 0.78481709 0.00533165 Ni 3.97994321 1.97984667 9.95610650 -0.30071060 0.05211972 -0.94946006 Ni 7.95294501 0.00172367 8.01568723 0.07853257 0.84524591 0.15067378 Ni 9.99223964 2.03608634 8.02198685 -0.86421801 -0.08118352 0.44521906 Ni 10.00127807 0.03057023 9.98364572 -1.33703470 0.95016772 -0.88323355 Ni 7.98210761 1.98337495 9.98391380 0.56886525 -0.27841774 -1.13281990 Zr 0.01689409 3.98008990 7.99089461 -1.13739520 -0.91785828 -0.91746070 Ni 2.01414008 6.00732819 7.98234070 0.27023060 -0.01060479 -0.28218030 Zr 1.99458790 4.01547702 9.97716307 1.72525493 -1.09484004 0.29900874 Zr 0.03658922 5.97006183 9.97372185 -1.26843806 0.29451136 1.00603786 Ni 3.97993694 4.00875392 7.99777878 -0.36081561 -0.52870633 0.25973069 Zr 5.98399670 6.00688146 7.98525446 0.85414341 0.59021800 0.34961243 Zr 6.00488311 3.98673105 10.01748692 0.71105381 -1.62366317 -0.04660455 Zr 3.96425359 6.05716721 9.99141170 0.10046070 -0.20534907 1.20518109 Ni 7.99870249 4.00108963 7.99731039 0.53076373 -0.63604937 1.01215918 Zr 9.99392980 5.97948167 7.96212815 0.35098472 0.13365802 0.92516717 Ni 9.97987850 3.97012972 10.01991893 -1.15440131 0.14454757 -1.09936476 Ni 8.01830181 6.01964805 9.94841063 -0.00026961 -0.03552529 -0.70490043 Zr 0.01656109 7.99295720 7.96492921 -1.11374693 0.25083838 -1.33188902 Zr 1.99993180 10.02234677 7.97106669 -0.23288550 1.69966298 -0.46147640 Zr 1.99043472 7.96549266 10.00995612 0.52582085 0.56441165 1.77306539 Zr 0.03480505 10.02072763 9.96592816 -0.66992739 0.59608184 0.61848531 Zr 3.98861135 7.98453471 7.95159260 -0.08155949 -0.52732762 -0.67836294 Zr 6.02947915 9.94661471 7.95976161 0.87625535 0.34743236 1.71509632 Ni 5.95762268 7.98751565 9.99974696 0.58688641 0.14531105 -0.44993568 Ni 4.02573914 9.97432685 9.96720121 -0.23384483 -0.76814065 -0.57479149 Ni 7.98415572 7.97638576 8.01124446 0.02662283 0.26487236 0.37723144 Zr 9.96577338 9.94530004 8.01962897 0.02135663 0.08909858 -0.14116766 Zr 10.00031929 7.96474212 9.96898766 -0.91208797 -0.04524306 0.74535519 Ni 7.96162774 9.98891326 9.99911029 0.18946247 -0.73415912 -0.71928161