Model name: model_name=EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.560000121593475 cohesive_energy=4.4003460121350955 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.3070484285727e-19, -6.83589489192342e-19, -1.7336352268197e-19, 2.6198311666177797e-19, 4.75580498976756e-19, 5.074429856971139e-19, 4.9400873462102395e-19, 5.080998781170539e-19, 5.33946191576742e-19, 5.622230069902079e-19, 5.891523918544799e-19, 6.13402937386704e-19, 6.34450731827562e-19, 6.52031416032444e-19, 6.66074494229454e-19, 6.76970897517288e-19, 6.852637637748719e-19, 6.914882199979619e-19, 6.961072952337839e-19, 6.99484683578256e-19, 7.018863463526219e-19, 7.0354780352208e-19, 7.04582809627644e-19, 7.0495771896e-19, 7.044674529099959e-19, 7.0264257372387e-19, 6.986611647883799e-19, 6.91400100283092e-19, 6.799333221135539e-19, 6.642432063367919e-19, 6.45646742145954e-19, 6.2680354275348e-19, 6.10756141587336e-19, 5.97222555559938e-19, 5.84022222272412e-19, 5.71691870897148e-19, 5.65196646822912e-19, 5.740743075519059e-19, 6.141383364617099e-19, 7.103923021025279e-19, 9.140305544605619e-19, 1.378115436088368e-18, 2.45536773513768e-18] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.019799532981444403 Energy: 0.10094271525346392 Energy: 0.09987115510775399 Energy: 0.1002205663253114 Energy: 0.025306603406569667 Energy: 0.02141166332835941 Energy: 0.1002112449255753 Energy: 0.09992121771257262 Energy: 0.10004594007088416 Energy: 0.024220425877407695 Energy: 0.09995785370483619 Energy: 0.10013295091248772 Energy: 0.09997247732035681 Energy: 0.10029923476966242 Energy: 0.09994725116978484 Energy: 0.09964697316243129 Energy: 0.09955210879227742 Energy: 0.10018711923815564 Energy: 0.1004848735249839 Energy: 0.09992685972934652 Energy: 0.10002792925153862 Energy: 0.027147292921077006 Energy: 0.02070574783468172 Energy: 0.10272160088750727 Energy: 0.099542774223693 Energy: 0.1000290432649431 Energy: 0.02596168062294737 Energy: 0.02035710916093582 Energy: 0.10061370815206808 Energy: 0.09952705948641558 Energy: 0.10064680157212749 Energy: 0.02112136943661639 Energy: 0.02979023354212469 Energy: 0.09991074764232867 Energy: 0.09983594931709577 Energy: 0.10033757606144163 Energy: 0.021741514956042023 Energy: 0.021969883138663156 Energy: 0.099925203100535 Energy: 0.09967540387206324 Energy: 0.10059626439225577 Energy: 0.09959402637626734 Energy: 0.0998562235548414 Energy: 0.0276881085868876 Energy: 0.020477049217873314 Energy: 0.10059384243205716 Energy: 0.09954816292132761 Energy: 0.09987122018478427 Energy: 0.026603957107382763 Energy: 0.09953433199098526 Energy: 0.09990473076671529 Energy: 0.1000186475133278 Energy: 0.10070548278210623 Energy: 0.02100291505021753 Energy: 0.024772521148938444 Energy: 0.09996465179522736 Energy: 0.10039670892498148 Energy: 0.10052778305228999 Energy: 0.02135477164706216 Energy: 0.025461812039791722 Energy: 0.025275326940527837 Energy: 0.09957404318086625 Energy: 0.100133037628214 Energy: 0.09946298194926927 Energy: 0.09996196612855521 Energy: 0.02484961410064477 Energy: 0.09965544201444243 Energy: 0.10026340128669792 Energy: 0.09952317182275582 Energy: 0.09987873859047863 minimum gb energy = 0.019799532981444403 eV minimum distance = 2.49159343526429 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 2.0689095766829126 Energy: 1.224860560236822 Energy: 1.2247350667613004 Energy: 1.225443013557395 Energy: 1.2657142990905108 Energy: 1.3378790602366868 Energy: 1.2002411118040746 Energy: 1.226357504311913 Energy: 1.2249268539895286 Energy: 1.298429766189739 Energy: 1.209346491340865 Energy: 1.4273018827107098 Energy: 1.227640045329073 Energy: 1.0186592836461317 Energy: 1.0703862991863877 Energy: 1.067016368730143 Energy: 1.3100287725536401 Energy: 1.2265737415257072 Energy: 1.0167135581548121 Energy: 1.0713803654995246 Energy: 1.1385753939950987 Energy: 1.370308910135357 Energy: 1.0815307944760755 Energy: 1.064678481457219 Energy: 1.0700010384620473 Energy: 1.0691314374006022 Energy: 1.370144746076517 Energy: 1.083316737800707 Energy: 1.0664990495675226 Energy: 1.0706962879281487 Energy: 1.0746064843145966 Energy: 1.231125100039251 Energy: 1.083309607189314 Energy: 1.065527247308145 Energy: 1.1305581560261413 Energy: 1.068524441115215 Energy: 1.2280303942344515 Energy: 1.2996958977548692 Energy: 1.2138008714563144 Energy: 1.0704629689704213 Energy: 1.431909559904454 Energy: 1.2995950303839274 Energy: 1.3435165297374405 Energy: 1.2487158463250645 Energy: 1.0423135230103078 Energy: 1.3790449530916353 Energy: 1.3090005214739282 Energy: 1.34156067896452 Energy: 1.0252009157354027 Energy: 1.043898013893187 Energy: 1.371604310259478 Energy: 1.3665241059529991 Energy: 1.3480624267223504 Energy: 1.0261295084275894 Energy: 1.3450857137514625 Energy: 1.3709284183536328 Energy: 1.367894174666083 Energy: 1.2440654727855949 Energy: 1.0230161026576454 Energy: 1.3409837102074271 Energy: 1.3390416929593731 Energy: 1.356113359140822 Energy: 1.2482978591782472 Energy: 1.0352385416200716 Energy: 1.355968483964339 Energy: 1.3514384598034077 Energy: 1.4469112048571553 Energy: 1.0277403184130791 Energy: 1.0325637626254238 Energy: 1.337321091844673 Energy: 1.3351623969558106 Energy: 1.3412484074689117 Energy: 1.3206366948941557 Energy: 1.318929894054669 Energy: 1.3387227117369014 Energy: 1.3364559466302561 Energy: 1.3395236958747343 Energy: 1.3214855094367322 Energy: 1.3191803192327292 Energy: 1.340173279662676 Energy: 1.3415608522924343 Energy: 1.1058302464380931 Energy: 1.0413799377511026 Energy: 1.3360227643846045 Energy: 1.2742631504805784 Energy: 1.3406843374592343 Energy: 1.0391780958821277 Energy: 0.8839880581321888 Energy: 1.4362146548144954 Energy: 1.32786875017326 Energy: 1.1482316325317397 Energy: 1.1203416379163789 Energy: 1.0295863915484813 Energy: 1.1296636518084835 Energy: 1.0866492459303454 Energy: 1.0252324331503666 Energy: 1.1169969316826813 Energy: 1.030501184545767 Energy: 1.1150529863434144 Energy: 1.1007831803860977 Energy: 1.2037376028731757 Energy: 1.026883634083215 Energy: 1.1188746289924847 Energy: 1.1189144630461416 Energy: 1.126400505270008 Energy: 1.0084076258796368 Energy: 1.025424734242374 Energy: 1.1159529104573909 Energy: 1.109680722260327 Energy: 1.1018307232466074 Energy: 1.3462378287403902 Energy: 1.0364335315596152 Energy: 0.9457421384274012 Energy: 1.3847157535513157 Energy: 1.2778544087694708 Energy: 1.5209514623591316 Energy: 1.0312941392267099 Energy: 1.0309158640467562 Energy: 1.3589630703784783 Energy: 1.277293708832055 Energy: 1.1076312092528233 Energy: 1.3402432904464396 Energy: 1.403373900604292 Energy: 1.3699974164925617 Energy: 1.371620825376703 Energy: 1.1171002718635343 Energy: 1.1218763038930806 Energy: 1.4034127169297224 Energy: 1.366183306344316 Energy: 1.3697466913416694 Energy: 1.1056944760815695 Energy: 1.1207345960539365 Energy: 1.2871941338345732 Energy: 1.2857322402140394 Energy: 1.3410275797381759 Energy: 1.1051498477031885 Energy: 1.120585835273563 Energy: 1.2882159670886586 Energy: 1.2915181014756825 Energy: 1.2566824140131756 Energy: 1.3915437702238451 Energy: 1.2853499687843526 Energy: 1.2856416372803148 Energy: 1.2862410294856823 Energy: 1.3806029611770252 Energy: 1.3914305387897388 Energy: 1.2853169471660966 Energy: 1.2860242722187776 Energy: 1.2874319806016805 Energy: 1.3793810201913868 Energy: 1.001640208379512 Energy: 1.3855365066163385 Energy: 1.286847916884153 Energy: 1.0778399685284217 Energy: 1.1185204666452615 Energy: 1.0224362263071645 Energy: 1.5020409510777994 Energy: 1.2882627283109687 Energy: 1.076398227061455 Energy: 1.1204163677669696 Energy: 1.1131564131896217 Energy: 1.3711352428853243 Energy: 1.0846232597359378 Energy: 1.119567763394359 Energy: 1.1276003634692964 Energy: 1.1135364457494568 Energy: 1.1568724682552374 Energy: 1.0848769138679246 Energy: 1.1350559681721766 Energy: 1.1291375323421908 Energy: 1.1276258947590607 Energy: 1.082310073694645 Energy: 1.3023206561994312 Energy: 1.1113656032312742 Energy: 1.0026446049957543 Energy: 1.1289335517869565 Energy: 1.0834551887350723 Energy: 1.0838334008206554 Energy: 1.1140038365930476 Energy: 1.0538084882050782 Energy: 1.0653756815092945 Energy: 1.2883599047287193 Energy: 1.3353156681269738 Energy: 1.0262915480323245 Energy: 1.0384875772594977 Energy: 1.4241949827578244 Energy: 1.2866112217888994 Energy: 1.3365717684474843 Energy: 1.023846214266736 Energy: 1.0349058040026646 Energy: 1.3713808666254297 Energy: 1.3678481004931429 Energy: 1.3439918229003818 Energy: 1.0238894237718597 Energy: 1.3372332859518263 Energy: 1.3723185235345146 Energy: 1.3695912242503216 Energy: 1.3445331075660263 Energy: 1.2284117860670536 Energy: 1.3470429131466768 Energy: 1.3395748974378172 Energy: 1.2782918893688842 Energy: 1.4521147407130996 Energy: 1.032603072976549 Energy: 1.3568285428333149 Energy: 1.352918303931405 Energy: 1.252267730993279 Energy: 1.0292284607721525 Energy: 1.0312239500569835 Energy: 1.354400898869878 Energy: 1.3415956554020674 Energy: 1.3363604094213393 Energy: 1.3194624985400518 Energy: 0.8937015741050803 Energy: 1.3433580525827447 Energy: 1.3348744448667818 Energy: 1.3369759445167995 Energy: 1.32018706578586 Energy: 0.8783044373396497 Energy: 1.3420077960311645 Energy: 1.340948802455081 Energy: 1.1273845856885685 Energy: 0.8881743857012289 Energy: 0.8794990907358117 Energy: 1.3273303401237153 Energy: 1.3405136153824626 Energy: 1.110900978113149 Energy: 0.8871069050525319 Energy: 0.9455519241423652 Energy: 1.3265022793093864 Energy: 0.9986120364953784 Energy: 1.0344405027870176 Energy: 1.025411159561665 Energy: 1.0261226798399692 Energy: 1.0884668402815252 Energy: 1.12325559691459 Energy: 1.0385337628886069 Energy: 1.0319977814905974 Energy: 1.0266862174287585 Energy: 1.1025272296075208 Energy: 1.1861991546252713 Energy: 1.0226296646683062 Energy: 1.1201262916836645 Energy: 1.121595180818708 Energy: 1.12289465655459 Energy: 1.1496124014100009 Energy: 1.0283193331367 Energy: 1.1221196263776585 Energy: 1.1240244985763717 Energy: 1.1018587006079148 Energy: 1.4647589967253662 Energy: 0.9419186131330171 Energy: 1.0287286116306555 Energy: 1.3698138402266122 Energy: 1.219087937670846 Energy: 1.070643870274121 Energy: 1.1073128235784695 Energy: 1.0318251832716987 Energy: 1.414833292943925 Energy: 1.2217668922317992 Energy: 1.0636601422890615 Energy: 1.229670009447579 Energy: 1.2860353447258621 Energy: 1.3725885291047795 Energy: 1.3709729315899066 Energy: 1.0694734846894025 Energy: 1.0673754720126722 Energy: 1.2868788989659805 Energy: 1.368645718496432 Energy: 1.3713668779356485 Energy: 1.2012904365829977 Energy: 1.201811937380905 Energy: 1.2272791761598658 Energy: 1.2200583366217779 Energy: 1.157789937131974 Energy: 1.077126828864764 Energy: 1.0689362210893676 Energy: 1.2320142064869304 Energy: 1.2218736410846307 Energy: 1.249414118426549 Energy: 1.3044921094880038 Energy: 1.223250091984199 Energy: 1.2257627538390512 Energy: 1.2270254732209227 Energy: 1.2647720517703631 Energy: 1.3350081671363347 Energy: 1.1981413347005412 Energy: 1.2257075814296599 Energy: 1.2250944584006618 Energy: 1.3001739749151418 minimum gb energy = 0.8783044373396497 eV minimum distance = 2.26948214026334 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 3.2287035356833815 Energy: 1.4370377795847826 Energy: 1.192977912766247 Energy: 1.166660553781544 Energy: 1.420066948305414 Energy: 1.4202316699592175 Energy: 1.4355185999049849 Energy: 1.1959474215585137 Energy: 1.1633045610003157 Energy: 1.4407056262628437 Energy: 1.3881915912386664 Energy: 1.2971523357032773 Energy: 1.1996532755910243 Energy: 1.193254518691217 Energy: 1.2232182349668144 Energy: 1.330245478161041 Energy: 1.2765427617737775 Energy: 1.1927959803871542 Energy: 1.1642608733110542 Energy: 1.2240353816133376 Energy: 1.29131370923023 Energy: 1.6321812629742043 Energy: 1.1817618164939991 Energy: 1.3156123997132405 Energy: 1.1508802604418429 Energy: 1.3349713544846857 Energy: 1.632224162294085 Energy: 1.3080255288390763 Energy: 1.3252521980955367 Energy: 1.148491443371746 Energy: 1.3590366995463838 Energy: 1.2222280079827346 Energy: 1.3364152713417317 Energy: 1.3141861965106865 Energy: 1.1484907039395695 Energy: 1.3387248888090981 Energy: 1.219043141952195 Energy: 1.2844655836988108 Energy: 1.2794000198668787 Energy: 1.148848989647333 Energy: 1.2909082701389256 Energy: 1.2953287796356476 Energy: 1.4979805135758568 Energy: 1.1654664089036868 Energy: 1.172324072748972 Energy: 1.2639652549631053 Energy: 1.1811562762982322 Energy: 1.4476008656928148 Energy: 1.1637299020873177 Energy: 1.1674254685940926 Energy: 1.5006038339725474 Energy: 1.2087076692777772 Energy: 1.4917294458048531 Energy: 1.1478339583258508 Energy: 1.2054318084690963 Energy: 1.4496319033783915 Energy: 1.2091169377235012 Energy: 1.4434040253546134 Energy: 1.1837476377328542 Energy: 1.227354878479878 Energy: 1.238021544998391 Energy: 1.3374620152649734 Energy: 1.2346594299985478 Energy: 1.1906755142247127 Energy: 1.1758761535966855 Energy: 1.1793281555094508 Energy: 1.3075092910771289 Energy: 1.1965142202550223 Energy: 1.2132953626123686 Energy: 1.2290985579535767 Energy: 1.1485953531533728 Energy: 1.3272932025063002 Energy: 1.6310565284317107 Energy: 1.6331388966497604 Energy: 1.3402508342869621 Energy: 1.147962865647869 Energy: 1.3149178604886407 Energy: 1.6313281568802696 Energy: 1.6333728390116609 Energy: 1.3434335004675635 Energy: 1.148624719986786 Energy: 1.3600940861335276 Energy: 1.219658268053055 Energy: 1.293905084096841 Energy: 1.273717291695252 Energy: 1.1511272971152302 Energy: 1.3822034485239576 Energy: 1.237776785675529 Energy: 1.271250632843951 Energy: 1.2487998242529492 Energy: 1.2408866553042013 Energy: 1.2441948938003498 Energy: 1.2336361433450713 Energy: 1.5351221250824523 Energy: 1.2637192443200918 Energy: 1.2030153418702905 Energy: 1.2066226761633891 Energy: 1.208456345643093 Energy: 1.5431608764992961 Energy: 1.2634452934224722 Energy: 1.2546723295961193 Energy: 1.2444321408929533 Energy: 1.2444684371994348 Energy: 1.2223347105020446 Energy: 1.2424288731757873 Energy: 1.2538584222423326 Energy: 1.2438108888001376 Energy: 1.1886604074735339 Energy: 1.231908494790956 Energy: 1.2835887686936538 Energy: 1.253208306366417 Energy: 1.2247815890860316 Energy: 1.396308844108568 Energy: 1.2338508911783226 Energy: 1.260365600791395 Energy: 1.2341711376236142 Energy: 1.232440784765416 Energy: 1.2721953607775214 Energy: 1.5218144163694962 Energy: 1.2771951355743472 Energy: 1.3592856596536658 Energy: 1.1482821271636081 Energy: 1.3924351031345497 Energy: 1.182705687353832 Energy: 1.3706558988065867 Energy: 1.3809707926722257 Energy: 1.1472346532834394 Energy: 1.3748261543771825 Energy: 1.1403024037464673 Energy: 1.4182080853602113 Energy: 1.3009277000551058 Energy: 1.2445405802360607 Energy: 1.3987113103469777 Energy: 1.2375384603168564 Energy: 1.2923725741403729 Energy: 1.2562191525204536 Energy: 1.2558478645680844 Energy: 1.373464443744761 Energy: 1.2464163378208575 Energy: 1.2901247245806762 Energy: 1.2703767837925477 Energy: 1.527392404392995 Energy: 1.251936819345749 Energy: 1.3366091978081938 Energy: 1.545780376512843 Energy: 1.2744851861571094 Energy: 1.5313389124354932 Energy: 1.2889799702139617 Energy: 1.2764568403300518 Energy: 1.5319056109201103 Energy: 1.3170873867244053 Energy: 1.2534813952986539 Energy: 1.248632180217884 Energy: 1.2531726278937134 Energy: 1.2552445132337573 Energy: 1.2929745993820398 Energy: 1.25721618943779 Energy: 1.2275586007721029 Energy: 1.2598312010020143 Energy: 1.2510593615695587 Energy: 1.2804704973447458 Energy: 1.2763184827537468 Energy: 1.2491090760017065 Energy: 1.361828699111557 Energy: 1.1485771377406182 Energy: 1.2662050623426875 Energy: 1.2193348302022118 Energy: 1.2521304935712267 Energy: 1.378180929577579 Energy: 1.1450930579937482 Energy: 1.3747007858325235 Energy: 1.3743392694250678 Energy: 1.3185992319034934 Energy: 1.3670922139350232 Energy: 1.143306681176685 Energy: 1.371154286250462 Energy: 1.3741337989860436 Energy: 1.3492590497268822 Energy: 1.3551894423872946 Energy: 1.1522772969098838 Energy: 1.206543042391068 Energy: 1.2151050145248394 Energy: 1.2870724892654508 Energy: 1.349031695981946 Energy: 1.210202909918376 Energy: 1.2858862247285712 Energy: 1.2624097588724574 Energy: 1.3548803018392839 Energy: 1.3513171631559657 Energy: 1.1889787758921215 Energy: 1.4928740046893114 Energy: 1.4894218122162208 Energy: 1.5256108974415712 Energy: 1.2341081017068432 Energy: 1.2637436209306954 Energy: 1.5261607178378496 Energy: 1.5320401524404361 Energy: 1.4899183842162416 Energy: 1.2267512633387931 Energy: 1.2199183501927438 Energy: 1.207895906726521 Energy: 1.2318954032413645 Energy: 1.2571259542887345 Energy: 1.2584891055337792 Energy: 1.2477306214796908 Energy: 1.233491052191653 Energy: 1.218183011739814 Energy: 1.2576925377049422 Energy: 1.3506650117140997 Energy: 1.2243334692031684 Energy: 1.1447238024002182 Energy: 1.23270548465615 Energy: 1.2102525783093179 Energy: 1.2767088547487295 Energy: 1.3811198735203984 Energy: 1.1431726224811938 Energy: 1.258504091078387 Energy: 1.3341942524887023 Energy: 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1.634798777884901 Energy: 1.627301737090837 Energy: 1.5807808309028153 Energy: 1.5857198984559566 Energy: 1.6550409421624956 Energy: 1.5965436720648034 Energy: 1.6814577165242055 Energy: 1.531065613118077 Energy: 1.5478514969661494 Energy: 1.6352105201276523 Energy: 1.6847394142831482 Energy: 1.6541868294500148 Energy: 1.531806485634198 Energy: 1.6276024029492187 Energy: 1.6802503788361915 Energy: 1.631552059731078 Energy: 1.6718310820085254 Energy: 1.5533514279479914 Energy: 1.6695821147191623 Energy: 1.6206101156686719 Energy: 1.6335456039363758 Energy: 1.6762854535437408 Energy: 1.550587942981545 Energy: 1.664188541256314 Energy: 1.6221615319285454 Energy: 1.580963700491543 Energy: 1.6022840915653447 Energy: 1.5861255703521226 Energy: 1.6464702225750227 Energy: 1.6072710218147526 Energy: 1.6057726890939354 Energy: 1.6029715007553822 Energy: 1.5866106862223568 Energy: 1.6221246416464408 Energy: 1.6084335768292533 Energy: 1.6065203826518077 Energy: 1.612133714355619 Energy: 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1.6464016966495716 Energy: 1.6475700046274764 Energy: 1.6835036325266797 Energy: 1.6376580047163072 Energy: 1.53112764045176 Energy: 1.6257352077553768 Energy: 1.6197244711902665 Energy: 1.574920268061389 Energy: 1.6692454858138899 Energy: 1.530214352205684 Energy: 1.6839526868919863 Energy: 1.6212578442923127 Energy: 1.5882036239302648 Energy: 1.6717672065778058 Energy: 1.530642471133571 Energy: 1.6223736745043942 Energy: 1.602301535563158 Energy: 1.629920319696942 Energy: 1.6858144107290813 Energy: 1.5799554718687718 Energy: 1.6167782560444686 Energy: 1.6028866943316644 Energy: 1.6229449756615444 Energy: 1.6100137314843717 Energy: 1.5771190717422203 Energy: 1.6631540380829022 Energy: 1.6480740950222772 Energy: 1.614401070699558 Energy: 1.6087206430549947 Energy: 1.6002521523471211 Energy: 1.6677120946916713 Energy: 1.649915393724437 Energy: 1.6160765167561355 Energy: 1.572001516100166 Energy: 1.6304039453393686 Energy: 1.6476970132935005 Energy: 1.6936733338311782 Energy: 1.6143897514601047 Energy: 1.591901777355238 Energy: 1.6409279457341546 Energy: 1.6372892808188046 Energy: 1.6567779110046958 Energy: 1.6141601263566736 Energy: 1.5925105466237646 Energy: 1.6365852845201339 Energy: 1.6266818423134912 Energy: 1.6766771624627483 Energy: 1.7011878718252547 Energy: 1.6590734521262849 Energy: 1.6541260518745022 Energy: 1.6414780627138947 Energy: 1.6598079076302252 Energy: 1.721945332813796 Energy: 1.5849271505949982 Energy: 1.6826479781384813 Energy: 1.5244415573835892 Energy: 1.7020796584122557 Energy: 1.656348082188675 Energy: 1.5747967468440807 Energy: 1.7164732847235076 Energy: 1.6788042302073705 Energy: 1.6549063539674358 Energy: 1.658990742307637 Energy: 1.6019532116887258 Energy: 1.6747962539912442 minimum gb energy = 1.5130031156612311 eV minimum distance = 2.31325883403459 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.5393872253631302 Energy: 1.5594269931864824 Energy: 1.6685668731776195 Energy: 1.562995259653439 Energy: 1.5405500916527355 Energy: 1.540655072503916 Energy: 1.5597908853777478 Energy: 1.669571677954897 Energy: 1.5605407574984302 Energy: 1.5401544244564376 Energy: 1.6221143158218492 Energy: 1.5581002061388662 Energy: 1.5658749169799733 Energy: 1.5606973120102878 Energy: 1.5656663978754086 Energy: 1.627274930027571 Energy: 1.5582578060641556 Energy: 1.541513986285545 Energy: 1.5612678901678914 Energy: 1.56457620709165 Energy: 1.565386634024478 Energy: 1.566428541952748 Energy: 1.5588889676270399 Energy: 1.560123452729757 Energy: 1.6244528162618472 Energy: 1.563030484629467 Energy: 1.5626933855521155 Energy: 1.5587751121404412 Energy: 1.6692607905552075 Energy: 1.6211914991950531 Energy: 1.659640082680971 Energy: 1.539442261664098 Energy: 1.5405650996375824 Energy: 1.5616183149350658 Energy: 1.6217516567722785 Energy: 1.658484285318458 Energy: 1.5398074120001382 Energy: 1.5402610575009494 Energy: 1.5642395239422962 Energy: 1.5402947172592794 Energy: 1.5593911259639408 Energy: 1.540794008284531 Energy: 1.540366592103484 Energy: 1.5597735199180938 Energy: 1.5604624604211195 Energy: 1.5641391383437602 Energy: 1.540546148200745 Energy: 1.540915654796948 Energy: 1.5601265952609091 Energy: 1.5585280936156933 Energy: 1.557796052037575 Energy: 1.6738987942476244 Energy: 1.561750454075604 Energy: 1.5614416145577794 Energy: 1.5417068697884495 Energy: 1.5576124807001197 Energy: 1.6704866776844938 Energy: 1.5631463883809613 Energy: 1.5586683103242187 Energy: 1.5746611708054599 Energy: 1.658441178507796 Energy: 1.5409366095815784 Energy: 1.5621642495098313 Energy: 1.5580287130895192 Energy: 1.5582420041585272 Energy: 1.65932742202944 Energy: 1.5395565901575832 Energy: 1.640898284276373 Energy: 1.558122969355076 Energy: 1.5605808909944283 Energy: 1.5591819769462616 Energy: 1.6278323077710184 Energy: 1.6713201538687914 Energy: 1.540099094136844 Energy: 1.54024933018534 Energy: 1.5595755075681699 Energy: 1.6275187973522955 Energy: 1.5593187292892057 Energy: 1.5490348151049513 Energy: 1.5410971139313216 Energy: 1.5590327372919033 Energy: 1.541098560663319 Energy: 1.5614153288248347 Energy: 1.5401678949263957 Energy: 1.6209941678702193 Energy: 1.5585710831510653 Energy: 1.5638933084191367 Energy: 1.5631906971621032 Energy: 1.5405011883802975 Energy: 1.6209170117368656 Energy: 1.5587563571153495 Energy: 1.5583431329375452 Energy: 1.6288381235952303 Energy: 1.660643945483892 Energy: 1.5609883975963286 Energy: 1.6438334697774155 Energy: 1.5587327491481608 Energy: 1.6238875179668921 Energy: 1.6652295667569446 Energy: 1.5658776321868038 Energy: 1.5399624509948546 Energy: 1.5603898564532792 Energy: 1.563579664368762 Energy: 1.6599985140472104 Energy: 1.6213503885507827 Energy: 1.5402700563995448 Energy: 1.5598306596561748 Energy: 1.5393594956664767 Energy: 1.6591974535220444 Energy: 1.6227305362859425 Energy: 1.5397500470521417 Energy: 1.5600498876034348 Energy: 1.6679415041994936 Energy: 1.5609978319246467 Energy: 1.540608821663871 Energy: 1.541094429351047 Energy: 1.5614665798412275 Energy: 1.667183177882495 Energy: 1.5608740275369528 Energy: 1.5401340710048987 Energy: 1.621013011108222 Energy: 1.558569720743692 Energy: 1.5641133150209918 Energy: 1.5621429597700573 Energy: 1.5637107020752314 Energy: 1.6241082273112644 Energy: 1.558170443403843 Energy: 1.5410589927451215 Energy: 1.5619416185382855 Energy: 1.56405132675105 Energy: 1.5585167043165629 Energy: 1.5655728612020572 Energy: 1.559843919646743 Energy: 1.5615369107427837 Energy: 1.6231689163508694 Energy: 1.5637058973815674 Energy: 1.5625226314833007 Energy: 1.5581992421218307 Energy: 1.668701360835288 Energy: 1.6212609714824633 Energy: 1.6665594518332643 Energy: 1.5397286472500964 Energy: 1.540627370756499 Energy: 1.561270902095819 Energy: 1.6212662595343263 Energy: 1.664961131987576 Energy: 1.540936279165991 Energy: 1.5406038301549805 Energy: 1.5638470294490736 Energy: 1.6214796121919566 Energy: 1.5596281824806337 Energy: 1.5409285991654422 Energy: 1.5400594689894416 Energy: 1.5590973742821475 Energy: 1.5595751075367166 Energy: 1.5637626650966925 Energy: 1.5410644110468725 Energy: 1.5402986925426658 Energy: 1.5582714106991125 Energy: 1.5582474162535787 Energy: 1.557897406060402 Energy: 1.672782418776555 Energy: 1.5619654043111764 Energy: 1.5604334263106032 Energy: 1.5412572698208475 Energy: 1.5576440985855338 Energy: 1.6722285585592105 Energy: 1.56162011914846 Energy: 1.5597544709431495 Energy: 1.5758157896010887 Energy: 1.658795791567664 Energy: 1.5408937776016463 Energy: 1.5632113940416206 Energy: 1.5571274483804711 Energy: 1.5597495406327369 Energy: 1.6584299022211642 Energy: 1.5398628853316412 Energy: 1.5589817109190847 Energy: 1.5592179826795496 Energy: 1.5605622658743719 Energy: 1.5594763503259883 Energy: 1.627811021392312 Energy: 1.6744308019332081 Energy: 1.5403829436356926 Energy: 1.540648689008851 Energy: 1.6810554067059558 Energy: 1.6273454248750474 Energy: 1.6603679921708996 Energy: 1.5465330309333223 Energy: 1.540997266167413 Energy: 1.558277643421162 Energy: 1.541286749375988 Energy: 1.5628068404348348 Energy: 1.5400959841968944 Energy: 1.620546690950294 Energy: 1.5590369389718775 Energy: 1.563276913165514 Energy: 1.5625610618699852 Energy: 1.540050707171429 Energy: 1.5599743888614355 Energy: 1.5590644009866743 Energy: 1.5583422527482755 Energy: 1.628491480493866 Energy: 1.6608357499688151 Energy: 1.5627752130734802 Energy: 1.5601607998267133 Energy: 1.558294201888897 Energy: 1.6222559462923372 Energy: 1.6634963577442141 Energy: 1.563022597875245 Energy: 1.5398469623209678 Energy: 1.5598749120345063 Energy: 1.5629875628229994 Energy: 1.660344929400687 Energy: 1.6209828986176242 Energy: 1.5403544689080608 Energy: 1.5610025411174377 Energy: 1.5390814501665786 Energy: 1.6598001058415117 Energy: 1.6218608599730204 minimum gb energy = 1.5390814501665786 eV minimum distance = 2.33013003239304 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.5222571865553964 Energy: 1.5802874022120088 Energy: 1.681088145570254 Energy: 1.5197840199114003 Energy: 1.70676857779405 Energy: 1.518273061497474 Energy: 1.6076956045269872 Energy: 1.6941934636414304 Energy: 1.539527329615437 Energy: 1.530450901251387 Energy: 1.5284944781395031 Energy: 1.523898396866582 Energy: 1.564629145708048 Energy: 1.5643273866322414 Energy: 1.5567058244971135 Energy: 1.5212276136452916 Energy: 1.5255164770035514 Energy: 1.5609601505424133 Energy: 1.7435113699240266 Energy: 1.6486311281487507 Energy: 1.5584953443589842 Energy: 1.5669011157309323 Energy: 1.5190952906700963 Energy: 1.6115547129920738 Energy: 1.5534691798480125 Energy: 1.526078625051544 Energy: 1.588238863904243 Energy: 1.5199854975846099 Energy: 1.5748649254860454 Energy: 1.5302922377052761 Energy: 1.536127109026815 Energy: 1.518211541743024 Energy: 1.6800569852104277 Energy: 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1.5614728050719293 Energy: 1.5258009775394776 Energy: 1.597019779100633 Energy: 1.5842934501363737 Energy: 1.5613918638270798 Energy: 1.603189444215909 Energy: 1.6764538187116371 Energy: 1.5224819932888796 Energy: 1.525115368644844 Energy: 1.5609660383791666 Energy: 1.5964089726170834 Energy: 1.5179958147451806 Energy: 1.52119476387346 Energy: 1.5250661881256025 Energy: 1.522600635283108 Energy: 1.515125617505421 Energy: 1.5482338381801528 Energy: 1.591974995069823 Energy: 1.5234712742722272 Energy: 1.524774369987794 Energy: 1.5138237853959586 Energy: 1.5492954028492008 Energy: 1.523097534494572 Energy: 1.5729357781313742 Energy: 1.6066230710165241 Energy: 1.8378431291364454 Energy: 1.5546881001703197 Energy: 1.8385994921732727 Energy: 1.5610742760025889 Energy: 1.5667189164044923 Energy: 1.8381049437077512 Energy: 1.5542086127895964 Energy: 1.5164433009185465 Energy: 1.5122423203167532 Energy: 1.5237722882890055 Energy: 1.5802192050224468 Energy: 1.5750748505354344 Energy: 1.5887619046956452 Energy: 1.5192014536544298 Energy: 1.5196238147508407 Energy: 1.606251729199663 Energy: 1.5751708411073646 Energy: 1.6235617963451596 Energy: 1.5187040998558146 Energy: 1.67500174576359 Energy: 1.5181112227675595 Energy: 1.529125568127056 Energy: 1.5889235293532498 Energy: 1.5236303533831175 Energy: 1.565708008998205 Energy: 1.518907200059023 Energy: 1.5293809043106785 Energy: 1.5489451096351499 Energy: 1.5216402373657567 Energy: 1.5221535499422696 Energy: 1.6228011529722288 Energy: 1.5890696422919535 Energy: 1.5277369913322862 Energy: 1.5302960956064002 Energy: 1.524960542713204 Energy: 1.549727611434952 Energy: 1.5236764277656345 Energy: 1.5293535712656197 Energy: 1.5272439647236973 Energy: 1.5298932600291508 Energy: 1.6122994041109455 Energy: 1.6596755265491083 Energy: 1.5209280688796945 Energy: 1.5226006302429982 Energy: 1.5922242952776662 Energy: 1.7384514526279262 Energy: 1.5987566945112313 Energy: 1.519720149627853 Energy: 1.5214716072409609 Energy: 1.685079751582686 Energy: 1.5230987780250798 Energy: 1.562200386056905 Energy: 1.573868325427964 Energy: 1.6474059084037933 Energy: 1.6832182399776678 Energy: 1.5215837039924953 Energy: 1.532825578041467 Energy: 1.5704787371392823 Energy: 1.668253163675233 Energy: 1.5278670246176718 Energy: 1.5258424291494355 Energy: 1.693120019305776 Energy: 1.5233207228697763 Energy: 1.5201073458270153 Energy: 1.5218494247566983 Energy: 1.5197153043194676 Energy: 1.688631851067611 Energy: 1.53003517926409 Energy: 1.520437581508184 Energy: 1.535107985301962 Energy: 1.536624098501352 Energy: 1.5290919459018706 Energy: 1.5200567080956808 Energy: 1.5241359726115913 Energy: 1.5564039691869578 Energy: 1.5512845959343773 Energy: 1.5724801815969616 Energy: 1.5208927463847164 Energy: 1.5262055432006354 Energy: 1.5296193616662128 Energy: 1.5204219616262107 Energy: 1.5571585005737527 Energy: 1.5606945174795066 Energy: 1.7123321393585023 Energy: 1.5226233361560686 Energy: 1.5214349988437386 Energy: 1.5598159604532231 Energy: 1.852231516538745 Energy: 1.5758674303411662 Energy: 1.5721404081469856 Energy: 1.679232518088083 Energy: 1.5884508844151934 Energy: 1.526418614513391 Energy: 1.5164961317965786 Energy: 1.5175109241997367 Energy: 1.6576068648482187 Energy: 1.5820785639925792 Energy: 1.5223951293504872 Energy: 1.515164282947188 minimum gb energy = 1.510390585252311 eV minimum distance = 2.30047738915253 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 2.3227582966490674 Energy: 1.6201889345010991 Energy: 1.5793559065961955 Energy: 1.581964186302835 Energy: 1.7607701022348092 Energy: 1.43337162705622 Energy: 1.6196112748643692 Energy: 1.6185056516659246 Energy: 1.5836381330001255 Energy: 1.4373619775435065 Energy: 1.344621587285777 Energy: 1.6556484596362506 Energy: 1.4485503522154917 Energy: 1.7795070013646728 Energy: 1.397921418599901 Energy: 1.343906095922471 Energy: 1.6644978677700815 Energy: 1.4524177349123308 Energy: 1.6599566022156365 Energy: 1.3979963970077744 Energy: 1.5659771938152987 Energy: 1.551236444082893 Energy: 1.4443465311814336 Energy: 1.400366720880231 Energy: 1.3500592539520317 Energy: 1.5635045595258432 Energy: 1.5528739033968433 Energy: 1.4460118970633318 Energy: 1.4006814376313415 Energy: 1.3496527792182424 Energy: 1.3955312862208498 Energy: 1.3988428890236284 Energy: 1.4482320574029983 Energy: 1.5585183448541098 Energy: 1.3479778668992977 Energy: 1.3967108251892795 Energy: 1.3965144592373215 Energy: 1.4471327884502099 Energy: 1.5583698614813295 Energy: 1.4063136726563341 Energy: 1.3629307390868741 Energy: 1.4712412081378097 Energy: 1.4383680778042873 Energy: 1.442840918166649 Energy: 1.3393843054140806 Energy: 1.3614064137530806 Energy: 1.6629382598520794 Energy: 1.3949620107660607 Energy: 1.4444189233061149 Energy: 1.3406834314413398 Energy: 1.4402770570784063 Energy: 1.3957218152026134 Energy: 1.342117832717652 Energy: 1.365955647371037 Energy: 1.543851653333722 Energy: 1.4373593063583718 Energy: 1.3954550812237723 Energy: 1.341870749031314 Energy: 1.3654635696276465 Energy: 1.4311777571916686 Energy: 1.5622492087425361 Energy: 1.3991000439066381 Energy: 1.4031392147855386 Energy: 1.3953433151467398 Energy: 1.3444405269435644 Energy: 1.560405436576309 Energy: 1.3993624549593933 Energy: 1.4016239956390788 Energy: 1.3952374401536225 Energy: 1.3440214496566334 Energy: 1.5483769333992656 Energy: 1.346741717462367 Energy: 1.3954568119385926 Energy: 1.446943509092807 Energy: 1.6580748204695066 Energy: 1.5483326387083316 Energy: 1.3421581079543763 Energy: 1.3953094016568892 Energy: 1.4008524637756647 Energy: 1.657056120089284 Energy: 1.3928310501863095 Energy: 1.4466964859024232 Energy: 1.4576394385911824 Energy: 1.4459629671295608 Energy: 1.3971879677269103 Energy: 1.3913734942867557 Energy: 1.4543066365342356 Energy: 1.4564735175953305 Energy: 1.3490174820088185 Energy: 1.397325259016131 Energy: 1.4652099853691332 Energy: 1.4361599724130516 Energy: 1.3969575675452526 Energy: 1.3438233709160974 Energy: 1.4563860056141096 Energy: 1.5622232226612747 Energy: 1.392630659381309 Energy: 1.3957307767483011 Energy: 1.344305299392315 Energy: 1.4567785828496114 Energy: 1.345024707719967 Energy: 1.3449585415119873 Energy: 1.3460748474444701 Energy: 1.5406560367430993 Energy: 1.341727794149271 Energy: 1.3446641524125766 Energy: 1.344256370771915 Energy: 1.457658738478818 Energy: 1.5440252267348682 Energy: 1.3989342727401195 Energy: 1.3488504196062239 Energy: 1.3516791152180379 Energy: 1.3506183807759538 Energy: 1.5930646432870328 Energy: 1.3486140611729696 Energy: 1.3492155820010576 Energy: 1.353257906838663 Energy: 1.3521758746642025 Energy: 1.6072855214799049 Energy: 1.3487462611307808 Energy: 1.3446341376930608 Energy: 1.3473010642715644 Energy: 1.4370805344595654 Energy: 1.501594553776529 Energy: 1.3434058508303954 Energy: 1.3456307361077255 Energy: 1.349841483103337 Energy: 1.4006109057914855 Energy: 1.4966107136049844 Energy: 1.3425267443095148 Energy: 1.5513395973290596 Energy: 1.4660122743160537 Energy: 1.5955942768646167 Energy: 1.4000933885142663 Energy: 1.3539853836888476 Energy: 1.3445411596395602 Energy: 1.4672103530133656 Energy: 1.596079841617675 Energy: 1.398394611459135 Energy: 1.434086560658833 minimum gb energy = 1.3393843054140806 eV minimum distance = 2.35284698502862 Angstroms sigma value = 33