256 Lattice="13.827068328857422 0.0 0.0 0.0 13.827068328857422 0.0 0.0 0.0 13.827068328857422" Properties=species:S:1:pos:R:3:forces:R:3 energy=-886.886210364848 stress="-6.907052865023554 1.0091602131853612 -24.828507193151832 1.0091602131853612 -18.439823940702517 -3.2580460463363865 -24.828507193151832 -3.2580460463363865 0.3234317209178981" free_energy=-886.886210364848 pbc="F F F" Ni 0.02940361 0.01128813 0.04109783 0.33799098 0.31998262 0.39520881 Ni 1.68234673 1.70934705 0.03736727 0.75647291 0.05444291 -0.46355594 Ni 1.70452419 0.00861409 1.75136301 0.39050126 -0.23746467 -0.01178966 Ni 0.00870788 1.73468125 1.69852740 -0.39332440 0.08850409 0.63146514 Ni 3.46481923 0.00161780 0.02181831 -0.42223022 0.31554267 0.19695324 Ni 5.15244339 1.69439791 0.02325262 -1058.15373878 7.98781898 1072.40812545 Ni 5.16933791 0.00880697 1.67343263 3683.50371328 -3670.17900677 -51.54159346 Ni 3.47048248 1.73269596 1.75428911 -0.20294093 0.02945888 -0.13239545 Ni 6.96533282 0.03313837 0.01950594 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Ni 3.42594964 6.88695013 0.01568915 0.08868072 0.23680048 -0.19172486 Ni 5.18013719 8.65083221 0.02601486 -52.92841111 6994.14365140 6969.79943432 Ni 5.22643362 6.91638915 1.75858457 -0.39121818 0.24389334 -0.34512300 Ni 3.44881469 8.68372603 1.74508401 -5168.90057476 92.56718943 -5192.56533590 Ni 6.96089763 6.88587439 0.05420520 197.16123526 -199.12141814 -3.53331952 Ni 8.62551468 8.63448047 0.01312942 -29.19757066 0.35119036 28.64096610 Ni 8.61504721 6.90307224 1.72257998 -8570.64855249 6659.10981953 -31.00044491 Ni 6.96113195 8.69480388 1.76303829 -0.33342575 -0.64709881 -0.09152113 Ni 10.36204644 6.95697931 0.03154602 -0.23739154 -0.39848251 -0.68364572 Ni 12.10641679 8.64240505 0.04318097 -0.12241692 0.16370939 -0.10240816 Ni 12.07875843 6.93699408 1.69665503 3899.53795739 -3910.53387390 -18.77367501 Ni 10.34000892 8.61566729 1.73988990 -0.15019996 0.31256240 0.33328658 Ni 0.04049514 10.38050793 0.02590047 23.47837892 -0.30209978 22.90661578 Ni 1.67900595 12.11383595 0.03558154 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12.06711718 1.74378112 -31.58416822 -3003.56442648 3019.64181988 Ni 0.01353785 0.01508514 3.44546214 0.16118036 0.25533494 -0.09150028 Ni 1.75660607 1.71820936 3.46477713 7155.87852318 5.82049526 5111.55020580 Ni 1.75727329 0.04944479 5.15955727 -0.38410986 -0.81915335 0.34920816 Ni 0.00230984 1.68303150 5.17682040 -0.25341658 0.62047511 -0.01530056 Ni 3.42713638 0.01200880 3.49078995 0.44538274 -0.72528578 -0.71327679 Ni 5.17776084 1.75714053 3.47582663 2400.55922498 -2407.64881497 14.77414997 Ni 5.19984358 0.02260752 5.14965869 -0.33349367 -0.71598693 0.25643813 Ni 3.43917015 1.74196521 5.12979607 5125.50590358 -5225.13754159 -94.73534684 Ni 6.90883529 0.01955300 3.43958913 -0.00830906 -0.40374653 -0.35236278 Ni 8.64596854 1.69898194 3.41633659 0.90081212 -365.00007154 358.55860330 Ni 8.64776800 0.03325140 5.16332425 0.09166152 -0.42393127 -0.02791412 Ni 6.86356886 1.69146016 5.21856798 0.42905381 0.49055316 -0.37614235 Ni 10.37949157 0.03410756 3.42233419 6.15411918 -1359.26818651 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5.19716304 5.15376489 10.41179328 -0.24621218 0.37729954 -0.35465757 Ni 5.19868232 3.43169081 12.09118404 0.33172241 -29.08435478 -28.62559030 Ni 3.49054177 5.18679624 12.11600896 -1419.88805529 -1441.45301259 -4.99402648 Ni 6.92803934 3.43695200 10.39444717 -0.08085986 0.10136868 -0.56956169 Ni 8.61824949 5.20831418 10.32759738 0.47948675 -0.74247746 0.14671910 Ni 8.65386735 3.42647939 12.09926466 0.00427946 0.31842174 0.27725393 Ni 6.92218858 5.23151525 12.05419605 0.15729192 -0.44092055 0.87386490 Ni 10.39057780 3.42501599 10.37352071 36.47890041 4837.71279094 4887.20052413 Ni 12.11205850 5.19889878 10.38749279 0.15650002 -0.10341444 -0.41903362 Ni 12.07197122 3.48202492 12.10300821 4281.23132241 92.74991558 4383.64568816 Ni 10.37735492 5.20999707 12.10122222 -0.23883174 -0.55067795 0.28417013 Ni 0.03116012 6.95712478 10.36410223 -0.75830345 -0.33995204 0.10658134 Ni 1.72627921 8.67507888 10.37972043 0.12211450 0.06593150 0.01631247 Ni 1.67886391 6.90422838 12.07877521 0.41891716 -0.07415482 0.40741230 Ni 0.00588364 8.65243552 12.08862036 0.11404880 0.01652277 -0.10676876 Ni 3.43610363 6.95808542 10.37865863 -2595.41106105 1.98318219 -2598.42785480 Ni 5.20017472 8.65208181 10.34801316 0.11907340 -0.01603380 0.52588021 Ni 5.16710874 6.88849897 12.12072526 0.12374212 0.36107363 0.14747232 Ni 3.44426752 8.61070148 12.08035915 -0.02491565 0.45980354 0.54598882 Ni 6.91586367 6.88522672 10.35986676 350.39696299 347.23243744 -3.49160821 Ni 8.64008049 8.65150958 10.39908574 -0.33778956 0.01629173 -0.52937632 Ni 8.69594783 6.89092746 12.07681016 -0.44728937 0.35073097 0.61928440 Ni 6.88230878 8.63167071 12.12825941 -57.20022196 1434.80697967 -1490.92297517 Ni 10.37968375 6.86881127 10.40784812 -0.22543213 0.43149866 -0.88634894 Ni 12.07708271 8.61966028 10.35189715 0.42793634 0.47387783 0.25729993 Ni 12.06386801 6.90735732 12.05882606 0.03590892 0.21325879 0.10530734 Ni 10.35199464 8.66879331 12.07687608 0.21732595 0.05921122 0.36924314 Ni 0.05128976 10.38675136 10.42149519 -0.54283124 0.21093833 -0.58931327 Ni 1.77282702 12.08389594 10.40063626 -0.33240246 0.26179674 -0.27487078 Ni 1.67410462 10.37146599 12.09615930 -33.57109507 2825.78891098 2787.41295599 Ni 0.00231925 12.11353643 12.10943536 0.65244912 -0.55780620 -0.61255226 Ni 3.42752884 10.37252130 10.36611373 0.06535458 -0.07745594 0.19091444 Ni 5.15489862 12.09144972 10.38677135 0.00558493 0.41116829 0.00138575 Ni 5.18502489 10.37168428 12.09739627 -0.28895233 -0.21902397 0.32584580 Ni 3.45686539 12.08870183 12.12671145 -0.12500529 -0.39850605 -0.26662443 Ni 6.88276949 10.40789227 10.40946775 0.40150565 -0.54909300 -0.45937849 Ni 8.66250399 12.07167409 10.40034789 -0.24596190 0.57889639 -0.25830374 Ni 8.65156704 10.38891742 12.09062653 -0.03632579 -0.36108786 0.45738768 Ni 6.92301475 12.04406197 12.12746061 -0.10904313 0.04290188 -0.17288157 Ni 10.35407958 10.36450193 10.32394616 0.42728925 0.08432261 0.48171299 Ni 12.09870016 12.10325947 10.39697080 -0.47499085 -0.60477365 -0.28811782 Ni 12.10724309 10.35886480 12.12392544 -0.56268040 -0.14934518 -0.66055921 Ni 10.36374841 12.07811298 12.08177738 -0.01618455 7.02712144 7.12570787