108 Lattice="11.287683796306622 0.0 0.0 0.0 11.287683796306622 0.0 0.0 0.0 11.287683796306622" Properties=species:S:1:pos:R:3:forces:R:3 energy=-556.777490386842 stress="-0.00704886776755322 -0.0019432358622672992 -0.00011918266824513732 -0.0019432358622672992 -0.007060663953187123 -0.001371369388074348 -0.00011918266824513732 -0.001371369388074348 -0.004666507350966526" free_energy=-556.777490386842 pbc="F F F" Nb 0.03817799 0.00983588 0.00569806 -0.15739558 -0.88979374 -0.15187058 Nb 1.85228387 1.87709406 0.00519114 1.46887494 0.34348600 -0.35428149 Ni 1.87555273 0.02145997 1.85980157 0.37238406 -0.00547367 0.11289442 Nb 0.00191592 1.85351885 1.84558576 -1.16287921 1.00626941 1.16475014 Ni 3.76459267 0.02708916 0.03715260 -0.46083907 0.40325089 0.48544757 Nb 5.67348879 1.88483263 0.01007838 -0.43963921 0.40339183 -1.24969575 Nb 5.62422207 0.02656211 1.88251695 -0.05000704 -1.26950693 0.48718348 Ni 3.79557783 1.88711321 1.91127927 -0.27445413 0.03362475 -0.29522507 Ni 7.51235944 0.03941133 0.04391754 0.33901510 0.01046837 -0.01470404 Ni 9.39826940 1.84865639 0.01457677 -0.69981436 0.40855469 0.36235348 Nb 9.43229577 0.02003885 1.89235116 -0.06994063 -0.63303900 -0.29409706 Nb 7.49416668 1.87478497 1.88445417 -0.41185942 0.30330017 -0.54397643 Ni 0.03911635 3.77778217 0.02965649 0.01135677 -0.26481217 0.01381061 Nb 1.84613679 5.63389018 0.00391211 0.70384336 0.05672209 -1.21847780 Ni 1.82208034 3.71334150 1.84861123 0.47418546 0.28278115 0.26521450 Nb 0.01350324 5.65104232 1.88083807 -1.88584278 -0.89197478 0.46237437 Nb 3.76670169 3.77485190 0.00256761 -0.28605473 -0.29346958 0.40669541 Nb 5.63020928 5.65276935 0.00902587 0.08288838 -0.63540353 -0.73095978 Ni 5.62817358 3.79009259 1.83868340 -0.02143123 -0.08364165 0.34670106 Ni 3.77232874 5.64345913 1.83258056 -0.06115351 -0.01671437 0.35321184 Ni 7.47096201 3.79265713 0.01526124 0.28860604 -0.04205498 0.24190747 Nb 9.41522061 5.60671083 0.03311054 -0.27212625 0.43446268 -0.07809684 Nb 9.38586881 3.81128670 1.90455482 1.28149672 -0.65398133 -1.47269280 Ni 7.48243190 5.62267725 1.89356868 0.14869972 -0.03123573 -0.39788070 Ni 0.00454873 7.50620143 0.04337577 -0.12509912 0.17409380 -0.11590436 Nb 1.87583663 9.37457515 0.03635480 1.12823263 0.17950304 -0.83274392 Nb 1.87920947 7.49353437 1.85786159 1.95306893 0.29322600 0.44025477 Nb 0.01700431 9.42550020 1.87152704 -1.31585051 -0.14510684 0.51553541 Ni 3.78124693 7.58801455 0.00267197 -0.06167662 -0.34955913 0.06160198 Nb 5.65701410 9.41761643 0.00038820 -1.54183898 1.10547920 -0.85121931 Nb 5.65149179 7.54123243 1.85309333 -2.56394774 -1.66520197 1.25806894 Ni 3.78873139 9.35030488 1.87901998 -0.30890283 0.00647763 -0.02165079 Nb 7.48963806 7.55209177 0.01616576 1.88036659 -0.47429457 -1.32710173 Ni 9.37207745 9.42753328 0.02093282 -0.45129287 -0.64059337 0.57005686 Ni 9.34423373 7.52979106 1.87614083 0.13118850 -0.26183515 -0.32543588 Nb 7.55491078 9.43080387 1.86593179 1.03778848 2.07813853 -0.45085096 Ni 0.00246502 0.02649649 3.76905578 0.78145807 0.44935515 -0.04914365 Nb 1.88531405 1.84689029 3.74829678 -0.50232249 0.59437251 0.58190190 Ni 1.91301110 0.01877511 5.63255357 -0.40989305 0.67257017 0.70945203 Ni 0.01487377 1.89534695 5.63789205 0.85778336 -0.14430010 0.44675426 Nb 3.75127927 0.00782024 3.79282330 -0.61363577 -0.43845669 -0.39763703 Ni 5.65160370 1.85146420 3.78280291 -0.54008576 0.35261447 -0.20761693 Nb 5.59432491 0.03750288 5.65717344 0.03573603 -0.44024363 0.06139093 Ni 3.76578356 1.87813373 5.66861725 -0.10085730 0.18673003 0.38292788 Ni 7.53818402 0.03796564 3.71883807 -0.36256137 -0.26454646 0.29430973 Nb 9.39337416 1.85204255 3.76660296 2.09642071 0.51365028 0.66972075 Nb 9.39712776 0.02571723 5.65762968 0.81905336 -0.97562164 -0.22441980 Nb 7.51508923 1.89802445 5.61661301 -0.79436844 0.57121904 0.33000807 Ni 0.02709729 3.70296754 3.74865208 0.36339514 0.21022724 0.42691622 Nb 1.90956445 5.65662071 3.77386055 -0.90755648 -0.29383015 0.67330389 Ni 1.86816127 3.73220603 5.64286760 -0.66247426 -0.17402189 0.65078983 Ni 0.00151498 5.63894875 5.68522131 0.81874415 -0.24670005 -0.24337203 Nb 3.79445973 3.78948793 3.76635972 1.27431855 -1.16447157 -1.05443283 Ni 5.68029625 5.61682723 3.75478879 -0.73181623 0.26591875 -0.34419901 Ni 5.65306640 3.75430852 5.68913770 -0.39758438 -0.37378051 -0.20397302 Nb 3.79048907 5.67570536 5.67998843 0.60070952 0.44620843 -0.38216640 Nb 7.49424335 3.75673552 3.72337006 -2.20184610 0.84265243 0.42227308 Nb 9.42478502 5.63152475 3.79100887 2.05652600 -0.05673487 -0.99260497 Ni 9.40039001 3.77136423 5.67701328 0.28639277 -0.16611039 0.44050990 Nb 7.50717369 5.69637973 5.64698079 -1.64245762 -0.47066476 2.02634365 Ni 0.05528223 7.52060440 3.79299282 -0.04282772 0.18396027 0.69036023 Nb 1.91142824 9.40368837 3.78480836 0.88401023 -0.01392766 1.09018816 Ni 1.89834272 7.54796114 5.67855794 -0.38223426 -0.05193610 -0.36105944 Ni 0.00273444 9.42077635 5.62171644 0.37499821 -0.59592150 -0.31279006 Ni 3.76166890 7.45293502 3.73673623 0.35037421 0.44961434 0.32019682 Nb 5.62708003 9.43206942 3.74553801 -2.02482785 1.14010412 0.82131742 Ni 5.59375625 7.52049637 5.66240216 -0.01226867 0.14979623 0.03837972 Ni 3.75415131 9.41875692 5.60293368 0.08541430 -0.63431249 0.13435278 Nb 7.53002818 7.53003627 3.77439084 -1.13937649 -1.46259997 -1.35699706 Nb 9.38647207 9.37763364 3.74090287 1.83902863 1.11837534 -0.66184062 Nb 9.41499484 7.50734648 5.61488636 2.18216853 0.07092312 2.87595843 Nb 7.52981712 9.37300691 5.64702672 -0.22123617 1.16162272 1.55615665 Ni 0.00711936 0.03128180 7.53271091 1.11977831 0.94201014 -0.21094449 Ni 1.90025627 1.88302282 7.55401686 -0.13577894 -0.52928023 -0.69371733 Ni 1.89266831 0.01963425 9.38122585 0.18063185 0.98896529 -0.99296763 Nb 0.05654587 1.88291564 9.38400540 0.04436010 -0.51498971 -0.68384498 Ni 3.77764753 0.00084139 7.49019726 -0.34478878 1.05731842 0.41329770 Ni 5.61537006 1.87707947 7.53420657 -0.47696880 -0.16857013 0.42580148 Ni 5.62603641 0.01413548 9.37570775 -0.25819719 0.73547763 -0.86608131 Ni 3.76111105 1.90649019 9.39954004 0.13010026 -0.65744269 -0.62124632 Nb 7.56700445 0.02307250 7.53687804 -0.53976446 -1.04422637 1.19162661 Ni 9.38117816 1.85057955 7.55050586 0.36109633 0.23045606 -0.09367632 Ni 9.39178282 0.01676400 9.40162119 -0.26173944 0.64050270 -0.58238396 Nb 7.54258937 1.88345995 9.41673818 -1.01931876 -0.56906317 0.97264360 Ni 0.01302551 3.79541007 7.54770194 0.76260854 0.09372516 -0.39497491 Ni 1.91770713 5.60749603 7.53447950 -0.90720720 -0.08884676 -0.35616235 Nb 1.89707755 3.79735259 9.41160739 0.00081751 0.74813094 0.26389233 Ni 0.01012458 5.67922958 9.39554770 0.35977523 -0.42057908 -0.57081982 Nb 3.79428985 3.77292702 7.52517338 0.69737822 -0.73203643 0.02831824 Ni 5.66433698 5.63472636 7.53740410 -0.07171496 0.10994463 0.37565408 Ni 5.68057711 3.73428476 9.43016644 -0.68264622 0.19118108 -0.24182779 Ni 3.74004402 5.65955810 9.43110164 0.49143018 -0.37379317 -0.24748012 Nb 7.49595367 3.75870086 7.54590747 -0.56470723 -0.23380754 -0.92554422 Ni 9.37601013 5.59989157 7.55259281 0.14943296 0.26738672 -0.19736093 Nb 9.43941772 3.72438914 9.43108229 1.43048031 0.00954426 -0.00976051 Nb 7.55331674 5.59395558 9.43611866 -0.78887592 0.32384399 0.48311714 Nb 0.03324097 7.53459191 7.50881420 -0.87029792 -0.89163705 -0.91197955 Nb 1.84026592 9.43615240 7.50240560 0.10889659 1.77234085 -1.35862122 Nb 1.87416777 7.49230472 9.37280335 -0.37400962 -1.24315429 1.97733635 Ni 0.03480368 9.44155889 9.40429719 0.47101011 -0.38860001 -0.30145969 Nb 3.73235337 7.48842995 7.55087887 0.07621289 -0.76272656 -1.54221639 Nb 5.64042685 9.43169512 7.50325705 0.62145931 0.70065845 -0.69817911 Nb 5.61692554 7.49380099 9.39041316 1.07059060 -0.63531238 1.07102018 Nb 3.78523186 9.42139368 9.43225252 -0.36501532 1.44686081 1.37417604 Ni 7.52802507 7.48636895 7.58345339 0.07129110 0.34510898 -0.11671178 Ni 9.40987809 9.41259499 7.48709768 -0.74489760 -0.49450969 0.15717689 Nb 9.41333059 7.56472272 9.39030486 -0.36352232 0.07239704 -0.96885580 Ni 7.54444839 9.42160409 9.42595162 -0.07415098 -0.61454986 -0.81970059