model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.081654928624631 cohesive_energy=3.5802802150217286 mass=26.981538 Isolated atom energy: 2.2204e-16 eV ======================================== theta = 0.0 ======================================== Energy: 0.010832137101735001 Energy: 0.01083213710127034 Energy: 0.010832137107037622 Energy: 0.010832137104140315 Energy: 0.010832137105588968 Energy: 0.010832137104632312 Energy: 0.010832137104632312 Energy: 0.010832137104140315 Energy: 0.01083213710127034 Energy: 0.010832137108486278 Energy: 0.010832137095503054 Energy: 0.010832137100313681 Energy: 0.010832137105124307 Energy: 0.010832137106545629 Energy: 0.010832137103183656 Energy: 0.3136630518897052 Energy: 0.010832137107037622 Energy: 0.010832137106080966 Energy: 0.010832137103675652 Energy: 0.010832137103183656 Energy: 0.010832137107037622 Energy: 0.010832137103675652 Energy: 0.010832137106545629 Energy: 0.010832137108486278 Energy: 0.010832137104140315 Energy: 0.010832137106080966 Energy: 0.010832137107037622 Energy: 0.010832137103675652 Energy: 0.010832137099821686 Energy: 0.010832137102226996 minimum gb energy = 0.010832137095503054 eV minimum distance = 2.88605322866601 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.3594253637767984 Energy: 0.3191423118174584 Energy: 0.31914231149504574 Energy: 0.32455391339163625 Energy: 0.3189619732390878 Energy: 0.3189619735903003 Energy: 0.32423438711268565 Energy: 0.3223313910368338 Energy: 0.32232357221258134 Energy: 0.3284060562011714 Energy: 0.3200816716537514 Energy: 0.3200815734953864 Energy: 0.33026665685811746 Energy: 0.31914231319603925 Energy: 0.31914230596539167 Energy: 0.31004352211159 Energy: 0.3258068684991638 Energy: 0.3257994368663676 Energy: 0.32366862055242146 Energy: 0.3189619715045237 Energy: 0.3189619648659016 Energy: 0.3279028706248246 Energy: 0.3223233576172408 Energy: 0.3223233472139286 Energy: 0.3303254092528864 Energy: 0.31510350067056603 Energy: 0.31510356331915096 Energy: 0.3279037511305342 Energy: 0.3257960520057914 Energy: 0.3258026864118848 minimum gb energy = 0.31004352211159 eV minimum distance = 2.60954212595504 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.3462175422735171 Energy: 0.33028762058399297 Energy: 0.33028963186163396 Energy: 0.3210591938596947 Energy: 0.33142406736126967 Energy: 0.33142357235157605 Energy: 0.32265319432026657 Energy: 0.33011339679952134 Energy: 0.3301137270073296 Energy: 0.3297638693727582 Energy: 0.33142060093767933 Energy: 0.3314194423142663 Energy: 0.31413445587110056 Energy: 0.33011323411961974 Energy: 0.33011316958888753 Energy: 0.34162381959011656 Energy: 0.33170582865723475 Energy: 0.3317080630450268 Energy: 0.31835871584576214 Energy: 0.33011310094567653 Energy: 0.33011309064055006 Energy: 0.31585911561647945 Energy: 0.33170529589814823 Energy: 0.3317096027523208 Energy: 0.3285442297793165 Energy: 0.33011420192238006 Energy: 0.33011305182161227 Energy: 0.3182541649674464 Energy: 0.33939131445688697 Energy: 0.33939252512836654 minimum gb energy = 0.31413445587110056 eV minimum distance = 2.60090788931158 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.35446952082596267 Energy: 0.33552975139870916 Energy: 0.33552831288824386 Energy: 0.33247190703950513 Energy: 0.3352143974724962 Energy: 0.335212276815253 Energy: 0.3420090235764407 Energy: 0.3385954651588454 Energy: 0.33859546396727824 Energy: 0.338211195223882 Energy: 0.3911463889251739 Energy: 0.3911463901857027 Energy: 0.34491779631961617 Energy: 0.3404950616372844 Energy: 0.34049467043462156 Energy: 0.325039158546284 Energy: 0.34312231815756944 Energy: 0.3431224353972829 Energy: 0.33718033533509706 Energy: 0.34049425013551465 Energy: 0.3404953643278538 Energy: 0.3450505532438708 Energy: 0.3459501208923568 Energy: 0.345945631707878 Energy: 0.3505264643256377 Energy: 0.3439916566995334 Energy: 0.34398974677915795 Energy: 0.33081838153593923 Energy: 0.34312417509732873 Energy: 0.3431226322283854 minimum gb energy = 0.325039158546284 eV minimum distance = 2.60123315754017 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.3634891935660146 Energy: 0.34820295909981314 Energy: 0.348202512369161 Energy: 0.34904714566706774 Energy: 0.39981758045433224 Energy: 0.39981784245919805 Energy: 0.3453424623331369 Energy: 0.3446725001220575 Energy: 0.34467228898702007 Energy: 0.3431945064278483 Energy: 0.34788302660711534 Energy: 0.3478830153178416 Energy: 0.3572497091647883 Energy: 0.40206660395822996 Energy: 0.40206615328584927 Energy: 0.35774696883474894 Energy: 0.34983289294928493 Energy: 0.3498330108850471 Energy: 0.3572519042374081 Energy: 0.3649355785414388 Energy: 0.36493579682757593 Energy: 0.33161355979784585 Energy: 0.3478830123672562 Energy: 0.3478826344384231 Energy: 0.3545921561122616 Energy: 0.3398078699885208 Energy: 0.3398078842435428 Energy: 0.3526324270702896 Energy: 0.3532191957254428 Energy: 0.35321851727102827 minimum gb energy = 0.33161355979784585 eV minimum distance = 2.58881324190543 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4085164808634487 Energy: 0.36328419573143783 Energy: 0.36328822256431964 Energy: 0.37070354526802834 Energy: 0.35825298662237065 Energy: 0.35825514722387364 Energy: 0.3552285218736309 Energy: 0.35378215738907787 Energy: 0.35378534449764487 Energy: 0.34476051824479875 Energy: 0.3705025226090524 Energy: 0.3705025251305545 Energy: 0.3681954187580352 Energy: 0.36888227525868156 Energy: 0.36888227247946237 Energy: 0.341962003725959 Energy: 0.36298285123221796 Energy: 0.3629827902367049 Energy: 0.368195459777977 Energy: 0.35779553720132484 Energy: 0.35779248338174374 Energy: 0.3607115828243555 Energy: 0.3569176496016851 Energy: 0.3569178014540244 Energy: 0.3488994030455367 Energy: 0.3537817561246513 Energy: 0.35378418294760217 Energy: 0.3681952934144297 Energy: 0.3638840881677894 Energy: 0.3638840871647752 minimum gb energy = 0.341962003725959 eV minimum distance = 2.55223216608462 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4039508078233606 Energy: 0.36862580292760305 Energy: 0.3686258081528866 Energy: 0.36579655047931287 Energy: 0.36798055237376076 Energy: 0.3679795566585176 Energy: 0.37410011594141673 Energy: 0.37464212691123056 Energy: 0.374633504298765 Energy: 0.36500135716547105 Energy: 0.3636282817091232 Energy: 0.3636280915742715 Energy: 0.3749072784485149 Energy: 0.3727995529234552 Energy: 0.37279955347225624 Energy: 0.38963362225798576 Energy: 0.38196582147496283 Energy: 0.38196307011705616 Energy: 0.3573609382091961 Energy: 0.3813421434944305 Energy: 0.38134987372665863 Energy: 0.36934573108408236 Energy: 0.3718861143181733 Energy: 0.37188651289191516 Energy: 0.374100652578919 Energy: 0.3746316649476267 Energy: 0.3746329254311892 Energy: 0.37490728326807776 Energy: 0.3679803469281135 Energy: 0.3679893100729752 minimum gb energy = 0.3573609382091961 eV minimum distance = 2.55423076764163 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.3935373389358793 Energy: 0.38853844121863546 Energy: 0.3885383446509404 Energy: 0.3798300684135668 Energy: 0.3885378728877597 Energy: 0.388538286954667 Energy: 0.3646570466654703 Energy: 0.3885384638316488 Energy: 0.38853844951296007 Energy: 0.373890697759292 Energy: 0.3881091866971045 Energy: 0.3881095340066826 Energy: 0.3761427828130055 Energy: 0.38810994448295477 Energy: 0.38810927695375647 Energy: 0.3699867466249443 Energy: 0.38810985394329417 Energy: 0.38810944230620387 Energy: 0.39391432400016035 Energy: 0.38810933910359974 Energy: 0.38810960288493407 Energy: 0.36465741044160804 Energy: 0.38810952170266727 Energy: 0.38810915050248035 Energy: 0.3798303508672857 Energy: 0.38810915802848023 Energy: 0.3881100784650119 Energy: 0.39353793734201886 Energy: 0.38810939237547337 Energy: 0.3881100634698553 minimum gb energy = 0.3646570466654703 eV minimum distance = 2.55848919695065 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.4084172421156959 Energy: 0.4012299144652663 Energy: 0.4012531327521189 Energy: 0.3918119810136476 Energy: 0.3861858059735069 Energy: 0.3861870837952147 Energy: 0.392527771628807 Energy: 0.390848767841017 Energy: 0.3908487950103236 Energy: 0.397538390233564 Energy: 0.4005464564945131 Energy: 0.40053658489913113 Energy: 0.3972595690183789 Energy: 0.4000071591177998 Energy: 0.40181247953361277 Energy: 0.39725990487547547 Energy: 0.39979856115421863 Energy: 0.39820291547055997 Energy: 0.3992076957916607 Energy: 0.39750096030277393 Energy: 0.3974993879654061 Energy: 0.39753850404477425 Energy: 0.3908487020422058 Energy: 0.3908488300976907 Energy: 0.3925278018004955 Energy: 0.3861915843880331 Energy: 0.3861848549338092 Energy: 0.40841252907870607 Energy: 0.3953281231712053 Energy: 0.39533130960128693 minimum gb energy = 0.3861848549338092 eV minimum distance = 2.48114854620173 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.43942779494692263 Energy: 0.41011329604272356 Energy: 0.4101089822696876 Energy: 0.4026146563134171 Energy: 0.3965952833185489 Energy: 0.396595601084282 Energy: 0.4066463723619037 Energy: 0.402756742908392 Energy: 0.40275733469373337 Energy: 0.3940237060211978 Energy: 0.4109862924935782 Energy: 0.4109859078657455 Energy: 0.41045371275012166 Energy: 0.41509062127229557 Energy: 0.41509025287121676 Energy: 0.4051349524147314 Energy: 0.39277474584662614 Energy: 0.39277476638944203 Energy: 0.40877209293200695 Energy: 0.4087270112265104 Energy: 0.408727011227782 Energy: 0.4054779631014278 Energy: 0.4211046843126748 Energy: 0.4211046906363023 Energy: 0.387817967303463 Energy: 0.4151343640461884 Energy: 0.41511902403942197 Energy: 0.4123532159051502 Energy: 0.41456686204421145 Energy: 0.4145568064850414 minimum gb energy = 0.387817967303463 eV minimum distance = 2.5049850885981 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.4220154893224061 Energy: 0.41344013652956524 Energy: 0.41344270535124705 Energy: 0.4116126340100688 Energy: 0.4022322665357589 Energy: 0.40223179584478136 Energy: 0.4086504433822096 Energy: 0.4134399782759217 Energy: 0.4134449905311654 Energy: 0.38427006831172134 Energy: 0.41344307137647185 Energy: 0.41344206931330746 Energy: 0.39788727646690936 Energy: 0.41970139579432164 Energy: 0.4197015252550849 Energy: 0.38777965929731106 Energy: 0.41236015993935177 Energy: 0.41236186771902855 Energy: 0.39206200219585857 Energy: 0.4221340582105667 Energy: 0.4221331682947846 Energy: 0.38860078794731207 Energy: 0.4123626656398995 Energy: 0.412362254060621 Energy: 0.4086504458588719 Energy: 0.40339409100848983 Energy: 0.4033940935232194 Energy: 0.41162046557013754 Energy: 0.4134462226026824 Energy: 0.4134462303794185 minimum gb energy = 0.38427006831172134 eV minimum distance = 2.51933282094679 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.44375768195852056 Energy: 0.4102034128693996 Energy: 0.4102033987469496 Energy: 0.3954727338948415 Energy: 0.4133679814127486 Energy: 0.4133686294187475 Energy: 0.403695184349789 Energy: 0.43259435640789345 Energy: 0.4325965660784777 Energy: 0.393046131784532 Energy: 0.41502633615070444 Energy: 0.41502625361270296 Energy: 0.4133730734531981 Energy: 0.4102040260291648 Energy: 0.41020444779064913 Energy: 0.42211020949202077 Energy: 0.41336795623139627 Energy: 0.4133720018818931 Energy: 0.4076922391352348 Energy: 0.4085574279646588 Energy: 0.4085568069569343 Energy: 0.4085573369005732 Energy: 0.4085720857138754 Energy: 0.4085714469355262 Energy: 0.41176830306701306 Energy: 0.4254007835810661 Energy: 0.42541003666858923 Energy: 0.4055868211422201 Energy: 0.43035818077110455 Energy: 0.4303669444080281 minimum gb energy = 0.393046131784532 eV minimum distance = 2.48338910892317 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.4148989314704725 Energy: 0.43343341025252796 Energy: 0.43343395577302835 Energy: 0.39748102245155226 Energy: 0.39747758514483345 Energy: 0.39747746680850465 Energy: 0.4390682793606164 Energy: 0.43148058256260974 Energy: 0.4314911205791538 Energy: 0.4316831244436288 Energy: 0.4327575343601948 Energy: 0.43275731779340737 Energy: 0.3974781195776277 Energy: 0.43631092409387373 Energy: 0.4363099858490743 Energy: 0.3974824591095137 Energy: 0.4003263609946403 Energy: 0.40032406246557134 Energy: 0.3931395676791536 Energy: 0.4265702058290788 Energy: 0.4265718742806542 Energy: 0.40786857388936637 Energy: 0.41934526089004476 Energy: 0.41934521328309726 Energy: 0.4322450026836283 Energy: 0.39747749417991657 Energy: 0.39747792311750124 Energy: 0.39747887236617546 Energy: 0.4193454167186989 Energy: 0.41934537428959706 minimum gb energy = 0.3931395676791536 eV minimum distance = 2.48641525548279 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.4478617293166407 Energy: 0.44020999822355394 Energy: 0.44028351641333147 Energy: 0.42197375902235784 Energy: 0.42794169542165117 Energy: 0.42794919578724155 Energy: 0.4221255721502584 Energy: 0.4160768828860276 Energy: 0.4160768867004588 Energy: 0.4471580930335639 Energy: 0.4273810787790428 Energy: 0.42738154300659537 Energy: 0.4127651719323223 Energy: 0.4160768730951679 Energy: 0.41607691545676617 Energy: 0.43736781979211925 Energy: 0.4127650224018554 Energy: 0.4127650477256402 Energy: 0.4075744681549791 Energy: 0.414361214765106 Energy: 0.4143483183300213 Energy: 0.44186413286525494 Energy: 0.40757420320489635 Energy: 0.4075749208958389 Energy: 0.4127651053290039 Energy: 0.4254500467477839 Energy: 0.4254533049023708 Energy: 0.4510869002389199 Energy: 0.4127650712108383 Energy: 0.4127650712310612 minimum gb energy = 0.40757420320489635 eV minimum distance = 2.47864041675458 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.41967452575229136 Energy: 0.4144817672239208 Energy: 0.4144817646362755 Energy: 0.3980657301820636 Energy: 0.41061068658895644 Energy: 0.4106104055691798 Energy: 0.46772466065151486 Energy: 0.4383383748405798 Energy: 0.43833768299397713 Energy: 0.4269063914092809 Energy: 0.410893081680604 Energy: 0.4108929980514723 Energy: 0.41967470807154583 Energy: 0.43833757938033396 Energy: 0.438343657903583 Energy: 0.40865661448999274 Energy: 0.41061058077994655 Energy: 0.4106105358750955 Energy: 0.3929512971884303 Energy: 0.41061030390852465 Energy: 0.4106104637197335 Energy: 0.3929512963133027 Energy: 0.4088962775870565 Energy: 0.4088967519066303 Energy: 0.430368193787154 Energy: 0.43833827881447823 Energy: 0.4383375173237829 Energy: 0.4303658500649976 Energy: 0.43833746483422065 Energy: 0.4383374698426079 minimum gb energy = 0.3929512963133027 eV minimum distance = 2.49470118740209 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.45075711576681715 Energy: 0.44231106214977123 Energy: 0.44231429657929056 Energy: 0.42082291997361315 Energy: 0.4213059256908735 Energy: 0.42130574210723004 Energy: 0.4208233657152777 Energy: 0.4213077460774482 Energy: 0.42130578205836305 Energy: 0.42608038639005447 Energy: 0.442310133151838 Energy: 0.44230449322065335 Energy: 0.42081985430483226 Energy: 0.4189342642663654 Energy: 0.4189365931072919 Energy: 0.4208214066588984 Energy: 0.43096563741661076 Energy: 0.4309657478967194 Energy: 0.41362537777672176 Energy: 0.4423090640553845 Energy: 0.44230386622942824 Energy: 0.4260697655926662 Energy: 0.4198677997284851 Energy: 0.41986033764858727 Energy: 0.42082416671975253 Energy: 0.42579613811643857 Energy: 0.4257968812114289 Energy: 0.4078217103322814 Energy: 0.44230976332501726 Energy: 0.4423101000672754 minimum gb energy = 0.4078217103322814 eV minimum distance = 2.46175572270235 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.46952608130801715 Energy: 0.43046258696902057 Energy: 0.4304626073445606 Energy: 0.4240149366984486 Energy: 0.4483792893928672 Energy: 0.44837518687365263 Energy: 0.4222673014989748 Energy: 0.4589498711794678 Energy: 0.4589499115998781 Energy: 0.4196350656431952 Energy: 0.43082142155933284 Energy: 0.4308214664786739 Energy: 0.41443728930545837 Energy: 0.4536815204572392 Energy: 0.4536815428512359 Energy: 0.4725759045299457 Energy: 0.41963250427483245 Energy: 0.419630147899119 Energy: 0.43571724031975695 Energy: 0.42309227302506874 Energy: 0.42309174323104826 Energy: 0.4166452308809719 Energy: 0.4230923315940379 Energy: 0.4230912360307261 Energy: 0.4562454511029475 Energy: 0.42846722905373147 Energy: 0.42846725545006126 Energy: 0.4131440222991054 Energy: 0.41626724502818807 Energy: 0.416267242130997 minimum gb energy = 0.4131440222991054 eV minimum distance = 2.47065741318885 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.4598912016388402 Energy: 0.43174064119141303 Energy: 0.43174304606616126 Energy: 0.41137639481906596 Energy: 0.4317433094365891 Energy: 0.4317409468900044 Energy: 0.4113763359328288 Energy: 0.4318025365701764 Energy: 0.43180196054166514 Energy: 0.4113760766596095 Energy: 0.41603093958085574 Energy: 0.4160312622562428 Energy: 0.41256956382779847 Energy: 0.46428322940810424 Energy: 0.4642505285542657 Energy: 0.42507624126979626 Energy: 0.4244535024577383 Energy: 0.42445364601220115 Energy: 0.4493104461329331 Energy: 0.418180428446585 Energy: 0.4181795159907783 Energy: 0.4283065697307009 Energy: 0.4538008991908912 Energy: 0.45378567619934196 Energy: 0.4343025907028551 Energy: 0.4274760600294645 Energy: 0.4274789718331961 Energy: 0.40482026270916815 Energy: 0.42747560691101655 Energy: 0.42747563361895313 minimum gb energy = 0.40482026270916815 eV minimum distance = 2.46101647970009 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.4113000622142102 Energy: 0.4160228107819179 Energy: 0.4160228041274226 Energy: 0.5134305454355994 Energy: 0.39077578084928516 Energy: 0.3907754465517179 Energy: 0.5129657821007756 Energy: 0.46296193225732835 Energy: 0.46296231031535107 Energy: 0.3907758457301634 Energy: 0.39897431377687226 Energy: 0.3989747090134324 Energy: 0.45320874147976004 Energy: 0.4568001356619673 Energy: 0.4568037423640973 Energy: 0.3907760735952103 Energy: 0.41758859700557177 Energy: 0.4175914057228446 Energy: 0.45320915123939176 Energy: 0.45677079530590087 Energy: 0.45677158440642146 Energy: 0.39077623160656566 Energy: 0.4175921229345995 Energy: 0.4175888275366118 Energy: 0.3907754710192496 Energy: 0.46296159913300605 Energy: 0.4629629638089188 Energy: 0.39897492342253155 Energy: 0.39077580239771886 Energy: 0.3907756245709486 minimum gb energy = 0.3907754465517179 eV minimum distance = 2.58899371554909 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.4644419145418892 Energy: 0.43581502014081486 Energy: 0.43581528563438615 Energy: 0.4067058400507963 Energy: 0.46264626920952723 Energy: 0.4626463114134472 Energy: 0.42767302937249396 Energy: 0.45413263023486605 Energy: 0.4541329615436665 Energy: 0.4443458332374438 Energy: 0.43219481185669967 Energy: 0.43220888035245014 Energy: 0.427672990617253 Energy: 0.4703752521306035 Energy: 0.4703752652035814 Energy: 0.44503613330294917 Energy: 0.4611400198427481 Energy: 0.4611202839072022 Energy: 0.43936038420708157 Energy: 0.4287011369456287 Energy: 0.4287012580383755 Energy: 0.4067058391441729 Energy: 0.4131706516989004 Energy: 0.41317219630307134 Energy: 0.44648319761082145 Energy: 0.4568487303968207 Energy: 0.4568425284047172 Energy: 0.4237023461551914 Energy: 0.4321943506436116 Energy: 0.4322004061382447 minimum gb energy = 0.4067058391441729 eV minimum distance = 2.46239012748344 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.4561420846750951 Energy: 0.4281972725158318 Energy: 0.4281956899819456 Energy: 0.42296674468249623 Energy: 0.463001935357761 Energy: 0.46279420363611784 Energy: 0.43710829132756224 Energy: 0.4322303738355855 Energy: 0.4322311385736682 Energy: 0.4229705706961919 Energy: 0.4282052984318392 Energy: 0.42820209922987174 Energy: 0.4164169424346553 Energy: 0.4287877902986446 Energy: 0.4287807284036701 Energy: 0.4654875868930339 Energy: 0.4627847394626062 Energy: 0.4627865914156528 Energy: 0.4306695128185354 Energy: 0.44782481953382347 Energy: 0.447831783823038 Energy: 0.4229733995284504 Energy: 0.42878181274875465 Energy: 0.42879509132733695 Energy: 0.41641025234662127 Energy: 0.45218683724446995 Energy: 0.452192427772128 Energy: 0.47911018901715313 Energy: 0.41240484068679495 Energy: 0.4124048616743139 minimum gb energy = 0.41240484068679495 eV minimum distance = 2.46658142833229 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.4433767620924091 Energy: 0.4185467079785306 Energy: 0.41854426620658086 Energy: 0.40327736160711714 Energy: 0.4331527578165082 Energy: 0.4331565106867417 Energy: 0.40327736159654454 Energy: 0.451113745658865 Energy: 0.4511238528906961 Energy: 0.43845430980430894 Energy: 0.4032773614386757 Energy: 0.40327736162231537 Energy: 0.49230327780713606 Energy: 0.4433778294336495 Energy: 0.443391329495556 Energy: 0.5062380527085363 Energy: 0.4632524278237927 Energy: 0.4632528542643958 Energy: 0.4032773615972053 Energy: 0.45112012059098494 Energy: 0.4511155410870074 Energy: 0.42644327702354806 Energy: 0.4444426926075409 Energy: 0.4444425566224227 Energy: 0.44338812780538395 Energy: 0.4205662288965392 Energy: 0.4205673260394223 Energy: 0.40327736156287425 Energy: 0.46899077533298716 Energy: 0.46899053584669154 minimum gb energy = 0.4032773614386757 eV minimum distance = 2.54596361547688 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.4540814808201984 Energy: 0.40622317585878975 Energy: 0.4062224762734907 Energy: 0.4836329614888992 Energy: 0.47195201358124084 Energy: 0.47195672588354415 Energy: 0.41997376790333635 Energy: 0.44116337831397523 Energy: 0.44115640923285665 Energy: 0.39876371234746943 Energy: 0.4810175545815973 Energy: 0.4810159234099753 Energy: 0.5187317341410475 Energy: 0.48371834045143225 Energy: 0.4814934119789605 Energy: 0.3987637137056857 Energy: 0.4735644180773398 Energy: 0.4735644236682089 Energy: 0.4199737611615157 Energy: 0.4336262379203497 Energy: 0.43362678224572276 Energy: 0.4509529727905056 Energy: 0.45115521439363543 Energy: 0.4511506579536787 Energy: 0.4540814877365688 Energy: 0.4062288269650073 Energy: 0.4062236518798235 Energy: 0.49138140899092164 Energy: 0.43856391925688476 Energy: 0.4385641901608404 minimum gb energy = 0.39876371234746943 eV minimum distance = 2.53177225142301 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.4651407650521969 Energy: 0.43993275399315046 Energy: 0.43993275978215807 Energy: 0.4271910390954406 Energy: 0.44068412956762626 Energy: 0.44068371134245116 Energy: 0.42302845991413246 Energy: 0.4550279465830758 Energy: 0.4550395817356354 Energy: 0.4211779839143034 Energy: 0.4598429959302812 Energy: 0.45984917865885666 Energy: 0.49369030604696934 Energy: 0.46514010662293515 Energy: 0.46514009580958554 Energy: 0.4211789008469217 Energy: 0.4598462671807309 Energy: 0.4598440380288977 Energy: 0.42302846704051666 Energy: 0.4550298980113209 Energy: 0.4550398263923819 Energy: 0.42721233344704435 Energy: 0.44068433963456644 Energy: 0.4406837226044011 Energy: 0.46514107526139503 Energy: 0.4399327597634128 Energy: 0.4399327506809296 Energy: 0.42719829175012425 Energy: 0.4406832918823714 Energy: 0.4406844238737653 minimum gb energy = 0.4211779839143034 eV minimum distance = 2.46536410749397 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.37162512356788663 Energy: 0.37162609514279554 Energy: 0.3716265226852902 Energy: 0.44238226336700864 Energy: 0.3827049653995406 Energy: 0.3827050770464804 Energy: 0.38110186871763274 Energy: 0.4120942892692816 Energy: 0.4120942177595097 Energy: 0.4639741661502618 Energy: 0.38270490521353046 Energy: 0.3827049373555085 Energy: 0.37162559654676663 Energy: 0.37162487151837403 Energy: 0.3716249035645822 Energy: 0.44238199786190496 Energy: 0.3827050010069341 Energy: 0.3827051455074527 Energy: 0.38110182447792074 Energy: 0.4120942994160773 Energy: 0.4120941409079944 Energy: 0.46397606621907866 Energy: 0.4052036872027257 Energy: 0.40520370671781536 Energy: 0.371625161445509 Energy: 0.3716255340616585 Energy: 0.3716248838289799 Energy: 0.4423820894554733 Energy: 0.4052036989202847 Energy: 0.4052037791307969 minimum gb energy = 0.37162487151837403 eV minimum distance = 2.56461851116244 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.4638628413620313 Energy: 0.44306788234922057 Energy: 0.4430698433838862 Energy: 0.5165846432633796 Energy: 0.43966789411306495 Energy: 0.43965700769103555 Energy: 0.423149685109704 Energy: 0.45262278595536 Energy: 0.4526227126069638 Energy: 0.4286468381151162 Energy: 0.45011865842984017 Energy: 0.4501170487788542 Energy: 0.42983196864617734 Energy: 0.43363659223820555 Energy: 0.43364725396574144 Energy: 0.4246707406298017 Energy: 0.44823667957995567 Energy: 0.44823677679341933 Energy: 0.5351756917777809 Energy: 0.4600047115027791 Energy: 0.4600051477504625 Energy: 0.45784244696579357 Energy: 0.4708088530883989 Energy: 0.4708075423768743 Energy: 0.5280698034144248 Energy: 0.4243883489176322 Energy: 0.4243958229659897 Energy: 0.4298308195824543 Energy: 0.43917345337400976 Energy: 0.439173704723042 minimum gb energy = 0.423149685109704 eV minimum distance = 2.52106822173674 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.4598208404111819 Energy: 0.4486547185702842 Energy: 0.44865471856864025 Energy: 0.41678088866527585 Energy: 0.4458997030598307 Energy: 0.44590168077746767 Energy: 0.41859410678853515 Energy: 0.4476641581729616 Energy: 0.4476624784114812 Energy: 0.40653035713657787 Energy: 0.46516056298745906 Energy: 0.46515982547473333 Energy: 0.43782890756678944 Energy: 0.4598196499258165 Energy: 0.4598044742048807 Energy: 0.480047680972915 Energy: 0.4536365300144783 Energy: 0.453641107696243 Energy: 0.52728510074288 Energy: 0.40955381250283257 Energy: 0.4095555434878557 Energy: 0.49011182999885483 Energy: 0.4062779674411325 Energy: 0.40628188426531814 Energy: 0.4994166157551461 Energy: 0.44765872853141436 Energy: 0.44765988012882724 Energy: 0.47822652105486874 Energy: 0.456687728534373 Energy: 0.45666471892059585 minimum gb energy = 0.4062779674411325 eV minimum distance = 2.51947101804873 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.4282354625118015 Energy: 0.4209981631919188 Energy: 0.4209981559138948 Energy: 0.5221696530386662 Energy: 0.42099819995794546 Energy: 0.42099814071403485 Energy: 0.46423068185470634 Energy: 0.4209981864447521 Energy: 0.4209981752007684 Energy: 0.4209982961423231 Energy: 0.45718426483022195 Energy: 0.45718422333843706 Energy: 0.4642306888473708 Energy: 0.48451615708871715 Energy: 0.4845156242008397 Energy: 0.4209983171141743 Energy: 0.45378432031753135 Energy: 0.4537844193310887 Energy: 0.5494751206201337 Energy: 0.5003830987258884 Energy: 0.5003828651371434 Energy: 0.42657052851365995 Energy: 0.4564902274749121 Energy: 0.45649009988281725 Energy: 0.4825088690109897 Energy: 0.44789837383104114 Energy: 0.44788202704194086 Energy: 0.42099831789199005 Energy: 0.4478857291911686 Energy: 0.4478911396711441 minimum gb energy = 0.42099814071403485 eV minimum distance = 2.51142686444277 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.46584091138882533 Energy: 0.46874131299018224 Energy: 0.4687417969898239 Energy: 0.4440411267963851 Energy: 0.4595092699865171 Energy: 0.4595086154856315 Energy: 0.4487205488095845 Energy: 0.441405673397391 Energy: 0.44140637974171376 Energy: 0.4225286150081206 Energy: 0.45789004448566484 Energy: 0.4579032362419773 Energy: 0.46125208131526657 Energy: 0.4562374894911144 Energy: 0.45622728066597096 Energy: 0.42755512275769436 Energy: 0.4207993765149182 Energy: 0.42081616454913245 Energy: 0.41726199734870584 Energy: 0.4730039049313206 Energy: 0.47301791592164966 Energy: 0.43694286323373877 Energy: 0.45532679025700773 Energy: 0.45532634535115335 Energy: 0.4408927893085303 Energy: 0.4208050800148888 Energy: 0.42079618979617317 Energy: 0.4172640857754497 Energy: 0.46009109449132235 Energy: 0.4600910527516828 minimum gb energy = 0.41726199734870584 eV minimum distance = 2.52266071826262 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.4548016521356142 Energy: 0.4486549283716512 Energy: 0.4486549220292864 Energy: 0.42421652855059244 Energy: 0.4468854043569665 Energy: 0.44688942475682275 Energy: 0.43882319886391197 Energy: 0.46373784420143666 Energy: 0.4637096665886177 Energy: 0.41812935107891697 Energy: 0.42422021056721 Energy: 0.42421200773837336 Energy: 0.5209787535625612 Energy: 0.4201130992521943 Energy: 0.4201130992539809 Energy: 0.4745628846051536 Energy: 0.4445098233237829 Energy: 0.44451170379310273 Energy: 0.46231313875978863 Energy: 0.42020020726792623 Energy: 0.42019871599492836 Energy: 0.45470474161514407 Energy: 0.4201130808295872 Energy: 0.4201128854331515 Energy: 0.45756155042283225 Energy: 0.4681344656799944 Energy: 0.4681343005658822 Energy: 0.4159785866629773 Energy: 0.45294729364949343 Energy: 0.4529469661356955 minimum gb energy = 0.4159785866629773 eV minimum distance = 2.51125797144431 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.4425251542882066 Energy: 0.4437847791407832 Energy: 0.4437837420286137 Energy: 0.4230170110411693 Energy: 0.46611797699380675 Energy: 0.466121817910028 Energy: 0.5053775931036588 Energy: 0.42424614982952014 Energy: 0.42424683599107915 Energy: 0.4365838057709838 Energy: 0.46570408361167126 Energy: 0.4657023660781298 Energy: 0.4298065815656239 Energy: 0.44734797520897496 Energy: 0.4473849591594417 Energy: 0.4242468117351962 Energy: 0.4755895100337836 Energy: 0.4755692948874595 Energy: 0.4341418555084684 Energy: 0.4353508007542768 Energy: 0.4353531605563506 Energy: 0.5317967339717233 Energy: 0.42784151729819453 Energy: 0.4278263222655999 Energy: 0.43414249876055516 Energy: 0.47619137708953596 Energy: 0.47619141236905255 Energy: 0.4242461933378312 Energy: 0.45710775117793034 Energy: 0.45711095251354816 minimum gb energy = 0.4230170110411693 eV minimum distance = 2.50901247097694 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.44003520104629 Energy: 0.44648535805711487 Energy: 0.4464852946091506 Energy: 0.44110817984429285 Energy: 0.43482826381017026 Energy: 0.43482826072835723 Energy: 0.47617778840384534 Energy: 0.44511542217090627 Energy: 0.4451163146409192 Energy: 0.42706627587860035 Energy: 0.4450018968600275 Energy: 0.4450060564441827 Energy: 0.4493782652429486 Energy: 0.44946362402395046 Energy: 0.4494635404575343 Energy: 0.4859894970888611 Energy: 0.4284797594974994 Energy: 0.4284801860774672 Energy: 0.42188353279216906 Energy: 0.43927054202529514 Energy: 0.43926975689844466 Energy: 0.42188654047812557 Energy: 0.4719110104849871 Energy: 0.47191101044648426 Energy: 0.5281164202526004 Energy: 0.4412119926709731 Energy: 0.4412114180190721 Energy: 0.42706657028555706 Energy: 0.4602033708030596 Energy: 0.46020003504277146 minimum gb energy = 0.42188353279216906 eV minimum distance = 2.50201977848074 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.4502131190184901 Energy: 0.45611258383252573 Energy: 0.4561085120644167 Energy: 0.43396093484952003 Energy: 0.4704801458049998 Energy: 0.47047966688536375 Energy: 0.4947567679142666 Energy: 0.4318882037554796 Energy: 0.43188756848266735 Energy: 0.4366447753409146 Energy: 0.47613214253422254 Energy: 0.47612498890800264 Energy: 0.4375655485780076 Energy: 0.49119783328554273 Energy: 0.49119783065353434 Energy: 0.4717301142165456 Energy: 0.43663997946298044 Energy: 0.43665251605421895 Energy: 0.4496960888690192 Energy: 0.442736483730508 Energy: 0.44270493190121113 Energy: 0.4375652783939956 Energy: 0.45445925260702724 Energy: 0.45446043967778915 Energy: 0.4537319357099299 Energy: 0.4407574833694242 Energy: 0.44075798467285493 Energy: 0.4948860459996858 Energy: 0.4679334399374859 Energy: 0.46793334828192307 minimum gb energy = 0.43188756848266735 eV minimum distance = 2.51906026464228 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.4442311334366978 Energy: 0.45523492441784846 Energy: 0.4552350292300507 Energy: 0.4356240726502274 Energy: 0.4753324959047128 Energy: 0.47533284494770517 Energy: 0.4401500497521454 Energy: 0.46463426666182434 Energy: 0.46463484061579374 Energy: 0.4313541556191388 Energy: 0.436626165440908 Energy: 0.4366229470796565 Energy: 0.5162141056884549 Energy: 0.4330641978081437 Energy: 0.4330642063721062 Energy: 0.4740911836513928 Energy: 0.44530308266957636 Energy: 0.4453026600978999 Energy: 0.4356222143738048 Energy: 0.44530261229650087 Energy: 0.44530272080888944 Energy: 0.43561278314999974 Energy: 0.4366261852824887 Energy: 0.4366253087636497 Energy: 0.42915686556433935 Energy: 0.4950953232721138 Energy: 0.49509121360966446 Energy: 0.42772961094283735 Energy: 0.45154283878103313 Energy: 0.4515427789415508 minimum gb energy = 0.42772961094283735 eV minimum distance = 2.4966957985871 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.4495449758652331 Energy: 0.45563266295840626 Energy: 0.45563296030669226 Energy: 0.5121353046380329 Energy: 0.44004378563471064 Energy: 0.4400421335920347 Energy: 0.43213017947870336 Energy: 0.47267428005204615 Energy: 0.47267364215578866 Energy: 0.5220447039076898 Energy: 0.4358173732087038 Energy: 0.4358198603012227 Energy: 0.4376000102635441 Energy: 0.47477318470929136 Energy: 0.4747669265217631 Energy: 0.4553609371904495 Energy: 0.43650175189240176 Energy: 0.4364910273797013 Energy: 0.4302989730192362 Energy: 0.4811896702092661 Energy: 0.48118967684678393 Energy: 0.4380645751423217 Energy: 0.4419243376198956 Energy: 0.4419261750039857 Energy: 0.43888405346675835 Energy: 0.4541928362680911 Energy: 0.45419264972166873 Energy: 0.4499012792168058 Energy: 0.43249811916666436 Energy: 0.43249360815875243 minimum gb energy = 0.4302989730192362 eV minimum distance = 2.50250460080548 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.4455654346432186 Energy: 0.4586976414460015 Energy: 0.4586909760184688 Energy: 0.4375893204757194 Energy: 0.45869265508008017 Energy: 0.4587083488471949 Energy: 0.43467809904778226 Energy: 0.47489321905033954 Energy: 0.47489387297727076 Energy: 0.43615323542373874 Energy: 0.4333528963688443 Energy: 0.43336134521649794 Energy: 0.4353338972067682 Energy: 0.4333482722101009 Energy: 0.43335346857671225 Energy: 0.4426770559502341 Energy: 0.43334818499931327 Energy: 0.43335185623695494 Energy: 0.4755980995213797 Energy: 0.4333637129503914 Energy: 0.43334859389605584 Energy: 0.4804690723021063 Energy: 0.440130494502116 Energy: 0.440122820575446 Energy: 0.4433104052945141 Energy: 0.4401191178636518 Energy: 0.4401285653679703 Energy: 0.4445980932733606 Energy: 0.43334838604994724 Energy: 0.43334869858164565 minimum gb energy = 0.43334818499931327 eV minimum distance = 2.50705888915634 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.4300099629247707 Energy: 0.4298058417462342 Energy: 0.4298058454359197 Energy: 0.40524304053378046 Energy: 0.4127673078756585 Energy: 0.41276730787006005 Energy: 0.4188890429894805 Energy: 0.4305514088935053 Energy: 0.43055140914683 Energy: 0.4300088829126257 Energy: 0.40530926046950544 Energy: 0.40530926057142697 Energy: 0.41276730805994355 Energy: 0.4127673116541617 Energy: 0.41276730786984 Energy: 0.41276730787028004 Energy: 0.43055159772701096 Energy: 0.4305514067424213 Energy: 0.40537577933153685 Energy: 0.41276730786641735 Energy: 0.4127673109559175 Energy: 0.41276731069635875 Energy: 0.43000882672124036 Energy: 0.4300088499926648 Energy: 0.41276730786426596 Energy: 0.4300088268266089 Energy: 0.4300088346810188 Energy: 0.4053093197050165 Energy: 0.41276730817562896 Energy: 0.4127673078728715 minimum gb energy = 0.40524304053378046 eV minimum distance = 2.55916341236537 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.43673218436828803 Energy: 0.45570364987131884 Energy: 0.45571270193454405 Energy: 0.42596426849922747 Energy: 0.4530284654323762 Energy: 0.4530316098795113 Energy: 0.4202901846218201 Energy: 0.4221411395895925 Energy: 0.42214113972055983 Energy: 0.42193662357781186 Energy: 0.42214113959157334 Energy: 0.422141139595535 Energy: 0.444428020114512 Energy: 0.41883971478416643 Energy: 0.41883970279462 Energy: 0.45762930431512444 Energy: 0.41990170551932987 Energy: 0.41989021621655637 Energy: 0.4240222402562076 Energy: 0.4356861499191084 Energy: 0.4356853181569274 Energy: 0.4205658512833322 Energy: 0.43118212419428764 Energy: 0.43118196111151824 Energy: 0.420568935878922 Energy: 0.43392210891943817 Energy: 0.4339320948488899 Energy: 0.4178513538676479 Energy: 0.4658578441263568 Energy: 0.4658595930395881 minimum gb energy = 0.4178513538676479 eV minimum distance = 2.53691109460532 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.43418565135612813 Energy: 0.45428500979628916 Energy: 0.4542895736823502 Energy: 0.4229601694854145 Energy: 0.42212569091806357 Energy: 0.42213782599578276 Energy: 0.4483873122181836 Energy: 0.4174409480277351 Energy: 0.41744079909792514 Energy: 0.4188180250735485 Energy: 0.4323937487046214 Energy: 0.43238396331557893 Energy: 0.4188211232582224 Energy: 0.45813536837700336 Energy: 0.45813354523324346 Energy: 0.4580572369794072 Energy: 0.43864505615331184 Energy: 0.4386448608878639 Energy: 0.41553976895711003 Energy: 0.4274433229279949 Energy: 0.42744894036542386 Energy: 0.41553451066657887 Energy: 0.42989729536686916 Energy: 0.4298983314537506 Energy: 0.42019146403715085 Energy: 0.42744756288403446 Energy: 0.42744516560553275 Energy: 0.4316272162393156 Energy: 0.4219996040380515 Energy: 0.4219997153439698 minimum gb energy = 0.41553451066657887 eV minimum distance = 2.52298075651944 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.4311419656210852 Energy: 0.45218494676499715 Energy: 0.4521849467707561 Energy: 0.4151838626002327 Energy: 0.416288798050139 Energy: 0.41629443349327117 Energy: 0.4198632932049994 Energy: 0.41583072895023004 Energy: 0.41582448858961035 Energy: 0.421906873744721 Energy: 0.45756580839701927 Energy: 0.45756814934639656 Energy: 0.41408997989702334 Energy: 0.42189952119090923 Energy: 0.42190602994090476 Energy: 0.4609350120068895 Energy: 0.41648349615556945 Energy: 0.41648473755166454 Energy: 0.4161469462901114 Energy: 0.4232327157968139 Energy: 0.423232083011087 Energy: 0.41109530063545785 Energy: 0.46199958394211693 Energy: 0.46200293642804247 Energy: 0.4137873883999022 Energy: 0.42190541926701874 Energy: 0.42191689334004323 Energy: 0.410288996340382 Energy: 0.42633386970066134 Energy: 0.42633980349288336 minimum gb energy = 0.410288996340382 eV minimum distance = 2.52346546977396 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.4273718932217904 Energy: 0.44860734014721465 Energy: 0.4486073486744508 Energy: 0.413403910710779 Energy: 0.4219706288153863 Energy: 0.4219843348733026 Energy: 0.40740731562468 Energy: 0.4174788644252373 Energy: 0.4174851885218115 Energy: 0.4134038779323907 Energy: 0.4298101176205242 Energy: 0.42981164998906835 Energy: 0.4636716029927008 Energy: 0.4138757912631799 Energy: 0.41387561480868834 Energy: 0.4676763648611842 Energy: 0.4018329501149035 Energy: 0.40183294966048233 Energy: 0.439875285696164 Energy: 0.4074171235966439 Energy: 0.40741919245011543 Energy: 0.40318572849432177 Energy: 0.4138838455728258 Energy: 0.4138752155532891 Energy: 0.4134038774447948 Energy: 0.4174828797555095 Energy: 0.4174877885279615 Energy: 0.40913638266872826 Energy: 0.44441094490163524 Energy: 0.4444109173097354 minimum gb energy = 0.40183294966048233 eV minimum distance = 2.53790339241564 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.42010050210562777 Energy: 0.42791751283601237 Energy: 0.4279186401255015 Energy: 0.42134732713343137 Energy: 0.40841939982163444 Energy: 0.4084194345284795 Energy: 0.41128456054382745 Energy: 0.4279180213512924 Energy: 0.4279157989366042 Energy: 0.4846805823408227 Energy: 0.40605658952332524 Energy: 0.40605649670131383 Energy: 0.4026153931600915 Energy: 0.41490488715426216 Energy: 0.4148951216870152 Energy: 0.5412372443071701 Energy: 0.4209854345470804 Energy: 0.4209884257522811 Energy: 0.4026152772113125 Energy: 0.42512777111851047 Energy: 0.42512253820148505 Energy: 0.43292679831268 Energy: 0.43056119226529344 Energy: 0.4305625344567797 Energy: 0.4060557378877225 Energy: 0.42391967010025977 Energy: 0.4239196494826057 Energy: 0.4498618118098179 Energy: 0.40261632835173444 Energy: 0.402614509966132 minimum gb energy = 0.402614509966132 eV minimum distance = 2.53408337148312 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.43229928977014986 Energy: 0.4244480465032237 Energy: 0.42444804199772646 Energy: 0.4105862144104455 Energy: 0.4167623089562947 Energy: 0.41676477972793335 Energy: 0.39965450030130867 Energy: 0.4165656887403685 Energy: 0.4165703355542635 Energy: 0.41126705730060303 Energy: 0.40892560794936855 Energy: 0.4089314411915913 Energy: 0.4355321767448011 Energy: 0.4019306549143504 Energy: 0.4019329933075599 Energy: 0.39670691361519617 Energy: 0.46205035071878775 Energy: 0.4620531415732565 Energy: 0.44411727842677623 Energy: 0.40946109967493827 Energy: 0.4094654730276871 Energy: 0.3967069157414279 Energy: 0.426353773566365 Energy: 0.42635449395779146 Energy: 0.39817010037947614 Energy: 0.4112579159847713 Energy: 0.4112598305348006 Energy: 0.4216172365321822 Energy: 0.41928343543924834 Energy: 0.41928415294294963 minimum gb energy = 0.39670691361519617 eV minimum distance = 2.50441020533364 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.41111894282313916 Energy: 0.3936477119010069 Energy: 0.39364763486637916 Energy: 0.3797448088427005 Energy: 0.43368348797760875 Energy: 0.4336949601214362 Energy: 0.3797448549224633 Energy: 0.4334803886556024 Energy: 0.43348194408842994 Energy: 0.37974480708867997 Energy: 0.38445895490743504 Energy: 0.38446099947274964 Energy: 0.41111884605383914 Energy: 0.41147344989601625 Energy: 0.41147554789530105 Energy: 0.39884246777566984 Energy: 0.3867105110700943 Energy: 0.3867083172201643 Energy: 0.3941640739238153 Energy: 0.3844602759403296 Energy: 0.38446136292949157 Energy: 0.41111729419173526 Energy: 0.38670716458644566 Energy: 0.38671107979276975 Energy: 0.3797449009741755 Energy: 0.4533674655032619 Energy: 0.45336868918465795 Energy: 0.3818573914303219 Energy: 0.43110966009524077 Energy: 0.43111571297059786 minimum gb energy = 0.37974480708867997 eV minimum distance = 2.52045580324742 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.42183084510565544 Energy: 0.41293883731231906 Energy: 0.4129378573177477 Energy: 0.3896080301284158 Energy: 0.4065772750680684 Energy: 0.40657261153484275 Energy: 0.39124236907178045 Energy: 0.40720206578973894 Energy: 0.407202461563767 Energy: 0.4445450856848119 Energy: 0.40256733326703237 Energy: 0.4025665040762817 Energy: 0.4254337975418471 Energy: 0.3928649640147906 Energy: 0.39286223350542204 Energy: 0.40104263369308224 Energy: 0.4156002318335792 Energy: 0.41559613045852856 Energy: 0.4155982803318933 Energy: 0.40144719640376764 Energy: 0.4014469430888111 Energy: 0.38691947301929996 Energy: 0.4112805466979425 Energy: 0.411279334751455 Energy: 0.3920921599239467 Energy: 0.4000196651919889 Energy: 0.4000117317078779 Energy: 0.3906477467956649 Energy: 0.4036284848038855 Energy: 0.4036244955551366 minimum gb energy = 0.38691947301929996 eV minimum distance = 2.51825119438546 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.41516151154398256 Energy: 0.40027453155873677 Energy: 0.40027465581164173 Energy: 0.39039375902261436 Energy: 0.4151615111520354 Energy: 0.41516151037120064 Energy: 0.4024910599484017 Energy: 0.400205460997675 Energy: 0.400205461043012 Energy: 0.39802987771065346 Energy: 0.39343822096075437 Energy: 0.39343683134049545 Energy: 0.39286765042922916 Energy: 0.4452743991825265 Energy: 0.44527236141480325 Energy: 0.3977845065732037 Energy: 0.41501213569443085 Energy: 0.4150143565154307 Energy: 0.3928676504266795 Energy: 0.4087606956809096 Energy: 0.4087606957660208 Energy: 0.45381448006898023 Energy: 0.3980304658879772 Energy: 0.3980303820572712 Energy: 0.3879073503810041 Energy: 0.4024867646592857 Energy: 0.402493858706312 Energy: 0.3903934501098897 Energy: 0.41410408767403123 Energy: 0.4141048503951367 minimum gb energy = 0.3879073503810041 eV minimum distance = 2.53501534443489 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.43422733001091024 Energy: 0.4046758856015996 Energy: 0.4046758228375879 Energy: 0.4085727346236624 Energy: 0.40066926644577444 Energy: 0.4006691535231399 Energy: 0.39430218614327484 Energy: 0.39734817776080456 Energy: 0.3973428248802232 Energy: 0.4251117274967035 Energy: 0.3878168309028821 Energy: 0.3878158832448462 Energy: 0.384063082026425 Energy: 0.40407506838124824 Energy: 0.4040754937095905 Energy: 0.4693299491709828 Energy: 0.3832276914899093 Energy: 0.3832325022091945 Energy: 0.38248691453805267 Energy: 0.38447321262955586 Energy: 0.3844731739032028 Energy: 0.4521541269598186 Energy: 0.3929087309919451 Energy: 0.39291096604809156 Energy: 0.382491179614653 Energy: 0.384471940717559 Energy: 0.3844751481903778 Energy: 0.467486370398868 Energy: 0.39037132575283234 Energy: 0.3903732095087401 minimum gb energy = 0.38248691453805267 eV minimum distance = 2.53451860454543 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.428305896594218 Energy: 0.3995773938658663 Energy: 0.3995757146152026 Energy: 0.3861803497734909 Energy: 0.4157389058825648 Energy: 0.41574687379551795 Energy: 0.38135029514005875 Energy: 0.3931391008461593 Energy: 0.39314420332420097 Energy: 0.40206940049495893 Energy: 0.39577835507837483 Energy: 0.39578209630808364 Energy: 0.38838656132858246 Energy: 0.38848771094845475 Energy: 0.3884876767739608 Energy: 0.38292208600559463 Energy: 0.3880527948982488 Energy: 0.3880579506373121 Energy: 0.392072115958735 Energy: 0.42417391649515435 Energy: 0.4241914572307017 Energy: 0.3841619372486056 Energy: 0.40348706009399044 Energy: 0.4034806377765284 Energy: 0.3873942861651119 Energy: 0.4025133691870275 Energy: 0.40251769480981064 Energy: 0.4324183613944449 Energy: 0.388431407460807 Energy: 0.38842838854282735 minimum gb energy = 0.38135029514005875 eV minimum distance = 2.52999942625385 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.3592778009640377 Energy: 0.3592778465223612 Energy: 0.35927822325028846 Energy: 0.3592778531571719 Energy: 0.3592778015081601 Energy: 0.35927783469033986 Energy: 0.3601099534060283 Energy: 0.37406274687407937 Energy: 0.3740627471541156 Energy: 0.36594490699571736 Energy: 0.3740628089201205 Energy: 0.3740628236327696 Energy: 0.36594491315578553 Energy: 0.37406328959426344 Energy: 0.37406323711172323 Energy: 0.5094776182389585 Energy: 0.3659449067089797 Energy: 0.36594490712374256 Energy: 0.36594491489616415 Energy: 0.3859621700670132 Energy: 0.38596216724769933 Energy: 0.3592780185986353 Energy: 0.43350615325595837 Energy: 0.43350858875663234 Energy: 0.359277802797782 Energy: 0.37406277709290947 Energy: 0.3740639842515261 Energy: 0.35927890485392316 Energy: 0.37406296249487253 Energy: 0.3740653279677012 minimum gb energy = 0.3592778009640377 eV minimum distance = 2.56719382129092 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.4469036638199896 Energy: 0.3751059708443719 Energy: 0.3751059885685244 Energy: 0.3630169565654059 Energy: 0.37287597238041054 Energy: 0.3728715664155648 Energy: 0.3757788246570696 Energy: 0.4358720619534687 Energy: 0.43587204489562525 Energy: 0.363013042007933 Energy: 0.3704336944065219 Energy: 0.37043124339058514 Energy: 0.3658078537686411 Energy: 0.3730362467454517 Energy: 0.37302467304506787 Energy: 0.3620160433850651 Energy: 0.3704361671524314 Energy: 0.3704340522177145 Energy: 0.36206080284474673 Energy: 0.3704386881085521 Energy: 0.370438853097984 Energy: 0.38841364535352674 Energy: 0.36949053265270543 Energy: 0.369491096510137 Energy: 0.4106113110658396 Energy: 0.3706594850041702 Energy: 0.37067120301320794 Energy: 0.4215297706623692 Energy: 0.3667979345298283 Energy: 0.3667999209939381 minimum gb energy = 0.3620160433850651 eV minimum distance = 2.54607579555689 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.3861669119298884 Energy: 0.372344037752973 Energy: 0.37234381056512067 Energy: 0.3607085823964029 Energy: 0.3742220674923381 Energy: 0.37421936884548224 Energy: 0.36593338741453346 Energy: 0.3665070252847252 Energy: 0.3665070219580041 Energy: 0.3546253786176884 Energy: 0.40650896091088895 Energy: 0.40651348539259247 Energy: 0.4418939941863214 Energy: 0.35984576664123663 Energy: 0.35984562973942896 Energy: 0.3659334056541041 Energy: 0.36788378485949297 Energy: 0.3679023665088768 Energy: 0.3567471324067402 Energy: 0.35936055277498996 Energy: 0.3593586401331929 Energy: 0.40997257177267804 Energy: 0.36465342931469025 Energy: 0.3646534285335446 Energy: 0.361489978012501 Energy: 0.36836585672642264 Energy: 0.36836653808637204 Energy: 0.3546254325308919 Energy: 0.3742245223756333 Energy: 0.37421954139097097 minimum gb energy = 0.3546253786176884 eV minimum distance = 2.54532421764979 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.37557657658720184 Energy: 0.37190887468442996 Energy: 0.37190967800058916 Energy: 0.3515956680406119 Energy: 0.36456944938993413 Energy: 0.3645694181448737 Energy: 0.3515955130752413 Energy: 0.3645694087020729 Energy: 0.3645694147568919 Energy: 0.3574764095535965 Energy: 0.3876677710781577 Energy: 0.3876701991179359 Energy: 0.41933283392245896 Energy: 0.36567952939945075 Energy: 0.36568036390754416 Energy: 0.3515954478662755 Energy: 0.3645693930675447 Energy: 0.36456942615331606 Energy: 0.35982214540393076 Energy: 0.3876758909125434 Energy: 0.38768042809486414 Energy: 0.47777971192650254 Energy: 0.36568045695132123 Energy: 0.36567952728985476 Energy: 0.35927329115044543 Energy: 0.3573990103924919 Energy: 0.3573990122046824 Energy: 0.3598222444510783 Energy: 0.38607277574136045 Energy: 0.386066903918034 minimum gb energy = 0.3515954478662755 eV minimum distance = 2.57291933058825 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.44035933887816037 Energy: 0.3680980190528712 Energy: 0.36809768058272513 Energy: 0.3435745152844465 Energy: 0.3581826908885649 Energy: 0.358183096161951 Energy: 0.3468186321188282 Energy: 0.3527411203462679 Energy: 0.35273801829788604 Energy: 0.3483393892653415 Energy: 0.3618205216734242 Energy: 0.3618206239683011 Energy: 0.3462493473289837 Energy: 0.3527401161033782 Energy: 0.3527399882658099 Energy: 0.43270040776085605 Energy: 0.3595118304348749 Energy: 0.3595143805417344 Energy: 0.35083022029437017 Energy: 0.35951261614349467 Energy: 0.35951353467833486 Energy: 0.48153385329258747 Energy: 0.3511242213539463 Energy: 0.3511243366002906 Energy: 0.34833952860034906 Energy: 0.36670089178244225 Energy: 0.3666986767780758 Energy: 0.34718909710613793 Energy: 0.3836109776367787 Energy: 0.38361289083918265 minimum gb energy = 0.3435745152844465 eV minimum distance = 2.55910876957699 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.42363805933417875 Energy: 0.3570329251873927 Energy: 0.3570337993064255 Energy: 0.3469423734325222 Energy: 0.359850326863334 Energy: 0.35985032784924376 Energy: 0.41455593226563897 Energy: 0.3593447740271334 Energy: 0.3593447740413341 Energy: 0.35343504866349296 Energy: 0.41747566714086354 Energy: 0.4174756671346566 Energy: 0.3872924801582688 Energy: 0.35136428021831734 Energy: 0.3513655740953191 Energy: 0.35125015007783117 Energy: 0.35437476947819063 Energy: 0.3543717987229661 Energy: 0.35001752720542834 Energy: 0.3543743272188434 Energy: 0.354371800468892 Energy: 0.43189679571979744 Energy: 0.3555741952615316 Energy: 0.3555785145497026 Energy: 0.3531277395330591 Energy: 0.3549547434372523 Energy: 0.3549542731105826 Energy: 0.41455592945363084 Energy: 0.35934477401965687 Energy: 0.3593447741067416 minimum gb energy = 0.3469423734325222 eV minimum distance = 2.54198779295109 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.40334953146897645 Energy: 0.3495963787487157 Energy: 0.3495968965692473 Energy: 0.382476550364928 Energy: 0.3696724940379989 Energy: 0.3696742921556137 Energy: 0.33328994948046553 Energy: 0.3759762643379062 Energy: 0.37597517960597865 Energy: 0.3286016045229654 Energy: 0.38232655034711666 Energy: 0.38232958283109447 Energy: 0.3308614010362967 Energy: 0.3794397273250055 Energy: 0.3794397554354395 Energy: 0.3332899500719101 Energy: 0.34245059243626885 Energy: 0.34245058915881116 Energy: 0.38348937636744185 Energy: 0.3823281964471994 Energy: 0.3823234432401611 Energy: 0.4033497958638042 Energy: 0.3424505872065498 Energy: 0.34245059024743396 Energy: 0.3834893678958419 Energy: 0.3424505891607135 Energy: 0.3424505884865699 Energy: 0.33328995479769424 Energy: 0.34245059135147266 Energy: 0.34245058729117306 minimum gb energy = 0.3286016045229654 eV minimum distance = 2.57729403653169 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4094367749000757 Energy: 0.34357794067961916 Energy: 0.3435779407057237 Energy: 0.3291789539356634 Energy: 0.3438488162198867 Energy: 0.34385401125747533 Energy: 0.3478439513956721 Energy: 0.33809191269263733 Energy: 0.338091630496591 Energy: 0.32593199032340814 Energy: 0.3352011186678579 Energy: 0.33520110356622845 Energy: 0.3330879153641501 Energy: 0.3992743870708491 Energy: 0.39926882556267246 Energy: 0.34384269208072493 Energy: 0.3352011161365475 Energy: 0.33520111797919494 Energy: 0.3259320246361669 Energy: 0.3416145329437713 Energy: 0.3416132877734368 Energy: 0.5033689881563882 Energy: 0.333129236283348 Energy: 0.33312914123711157 Energy: 0.3282582555063351 Energy: 0.3393853391717967 Energy: 0.3393811797010453 Energy: 0.33065117742073313 Energy: 0.3469171407555543 Energy: 0.3469171408473067 minimum gb energy = 0.32593199032340814 eV minimum distance = 2.56834281129704 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.44987797450011296 Energy: 0.3412495470654547 Energy: 0.3412512144569854 Energy: 0.3204581167252405 Energy: 0.34079180159437905 Energy: 0.34079182319423795 Energy: 0.31860165924616246 Energy: 0.33049476834137553 Energy: 0.3304969892820944 Energy: 0.35210400339021125 Energy: 0.3328687871080893 Energy: 0.3328735104542296 Energy: 0.35210451777900775 Energy: 0.34457187022971875 Energy: 0.34457055758269123 Energy: 0.3183299673791994 Energy: 0.340791934209837 Energy: 0.3407917552771726 Energy: 0.37001019009469704 Energy: 0.32188506571892617 Energy: 0.3218872480513162 Energy: 0.4498157334058213 Energy: 0.332872197674374 Energy: 0.3328716149556253 Energy: 0.3207699840307247 Energy: 0.37687380510273794 Energy: 0.3768704952086497 Energy: 0.3183285374892856 Energy: 0.34079177763280494 Energy: 0.3407918127019744 minimum gb energy = 0.3183285374892856 eV minimum distance = 2.57262615859424 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.44749225292766226 Energy: 0.3338959629490422 Energy: 0.3338948393842195 Energy: 0.32023043685953206 Energy: 0.3301181769545873 Energy: 0.3301181389852387 Energy: 0.32700286927662586 Energy: 0.3379406319918979 Energy: 0.3379403301249141 Energy: 0.3541040070720506 Energy: 0.3215169149678864 Energy: 0.32151253695384824 Energy: 0.3234125789823363 Energy: 0.3384908473128791 Energy: 0.33850686840282346 Energy: 0.38761873214195075 Energy: 0.3233999145261835 Energy: 0.3233990485498239 Energy: 0.322932906330102 Energy: 0.3273452329947011 Energy: 0.32734391702623805 Energy: 0.4878749709147466 Energy: 0.32339839079584476 Energy: 0.32339784890069523 Energy: 0.32293274529011495 Energy: 0.3299449883327182 Energy: 0.3299450593704822 Energy: 0.373891871464699 Energy: 0.32303624372686296 Energy: 0.32303534572841747 minimum gb energy = 0.32023043685953206 eV minimum distance = 2.56243668526448 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.32989117340650775 Energy: 0.31088700426232524 Energy: 0.3108870037689644 Energy: 0.3090725937451851 Energy: 0.3183227036410735 Energy: 0.318323845591413 Energy: 0.39371481153301874 Energy: 0.31088700778958017 Energy: 0.3108870010955545 Energy: 0.3108865698777726 Energy: 0.32989258005522565 Energy: 0.3298892059198072 Energy: 0.31088700365405064 Energy: 0.3453867468986858 Energy: 0.34538819946711513 Energy: 0.3016210310311332 Energy: 0.30907212430804076 Energy: 0.3090723874429431 Energy: 0.3108870076964881 Energy: 0.3108870131574703 Energy: 0.31088700352639903 Energy: 0.32989074019195824 Energy: 0.32989307041709104 Energy: 0.32988920537009936 Energy: 0.30907229374864453 Energy: 0.3090731678030318 Energy: 0.3090736851574066 Energy: 0.3016214219103245 Energy: 0.30907223404433526 Energy: 0.3090734901188309 minimum gb energy = 0.3016210310311332 eV minimum distance = 2.57422959662875 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.38943490018272275 Energy: 0.31428568441154814 Energy: 0.31428245255955084 Energy: 0.294304610855761 Energy: 0.3130991468624512 Energy: 0.3130984018093163 Energy: 0.29401716579131176 Energy: 0.3130976234911262 Energy: 0.3130996053543329 Energy: 0.37817913307256096 Energy: 0.3090627247961105 Energy: 0.3090627089757217 Energy: 0.3717478824136555 Energy: 0.3090626734246407 Energy: 0.3090626984677203 Energy: 0.3034719229705529 Energy: 0.30906271468833985 Energy: 0.3090627491919962 Energy: 0.3016860767384232 Energy: 0.3430551542909807 Energy: 0.3430567548719624 Energy: 0.4481163262326004 Energy: 0.31309759225568695 Energy: 0.31309868736406954 Energy: 0.30763590242893785 Energy: 0.2981773054161385 Energy: 0.2981778475556152 Energy: 0.29401713433527943 Energy: 0.30550126058591287 Energy: 0.3055015430619023 minimum gb energy = 0.29401713433527943 eV minimum distance = 2.57314591355136 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.4203335780514478 Energy: 0.2956850077159355 Energy: 0.295685009219383 Energy: 0.31225880438090176 Energy: 0.29115395723522536 Energy: 0.2911541887409243 Energy: 0.28716119819283087 Energy: 0.32469083506636615 Energy: 0.3246908023653738 Energy: 0.2835575013819852 Energy: 0.29756980678243383 Energy: 0.2975691640309683 Energy: 0.28716092657044745 Energy: 0.2975676638798491 Energy: 0.29757003027895684 Energy: 0.2861208458261194 Energy: 0.2975686041509602 Energy: 0.2975674792735669 Energy: 0.28612085322764497 Energy: 0.29756779831009483 Energy: 0.2975700872518922 Energy: 0.4212962268312071 Energy: 0.29756904304249576 Energy: 0.29757013659674897 Energy: 0.4116521348703609 Energy: 0.2975699202782502 Energy: 0.29756714744972756 Energy: 0.2871592796031384 Energy: 0.3129034333257345 Energy: 0.31290285720944466 minimum gb energy = 0.2835575013819852 eV minimum distance = 2.59085239712658 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.411468523947125 Energy: 0.29394647347491254 Energy: 0.29394647114005823 Energy: 0.33381094252058985 Energy: 0.2936762977060074 Energy: 0.2936759859038543 Energy: 0.27909459075309323 Energy: 0.2936758514894056 Energy: 0.29367625151010923 Energy: 0.28704904706252793 Energy: 0.2936758500024826 Energy: 0.2936757107209421 Energy: 0.41038727407658077 Energy: 0.28401822365282786 Energy: 0.28401615755252807 Energy: 0.28204754065739623 Energy: 0.28990120651433166 Energy: 0.2899032074235103 Energy: 0.2754750916419752 Energy: 0.2936762935394386 Energy: 0.29367630807923417 Energy: 0.4568910347931178 Energy: 0.29301545169638943 Energy: 0.29302168479811785 Energy: 0.2814418576050577 Energy: 0.3183586669466333 Energy: 0.3183581517524186 Energy: 0.27566511647346675 Energy: 0.29367623527665954 Energy: 0.2936759253678037 minimum gb energy = 0.2754750916419752 eV minimum distance = 2.58280497929623 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.3888053565289943 Energy: 0.27815346145246883 Energy: 0.27815295022941644 Energy: 0.27556178348609417 Energy: 0.28719895141474827 Energy: 0.28719620297802223 Energy: 0.2686775809598671 Energy: 0.2755618768312234 Energy: 0.27556175692284035 Energy: 0.2690843161183091 Energy: 0.2762113446613138 Energy: 0.2762116022281843 Energy: 0.2686778094917851 Energy: 0.27556189084382454 Energy: 0.27556186082943307 Energy: 0.269329708821726 Energy: 0.2872022557868612 Energy: 0.2872006523426289 Energy: 0.2755621575899958 Energy: 0.3046543235337254 Energy: 0.3046543234868121 Energy: 0.3888053605058074 Energy: 0.2871967094095644 Energy: 0.28720246003207617 Energy: 0.34395425117084355 Energy: 0.28095668777308125 Energy: 0.2809563900617302 Energy: 0.2803646641051203 Energy: 0.2686777544375641 Energy: 0.2686778303387823 minimum gb energy = 0.2686775809598671 eV minimum distance = 2.57667567655076 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.4374199280065033 Energy: 0.28027808115736236 Energy: 0.28027755559735784 Energy: 0.26511775548560745 Energy: 0.28219181477467087 Energy: 0.2821916624223438 Energy: 0.2646504091279627 Energy: 0.275541766017591 Energy: 0.2755422389612616 Energy: 0.3321071680042209 Energy: 0.28320898970734487 Energy: 0.2832090159064957 Energy: 0.33210738479460294 Energy: 0.2767172031869168 Energy: 0.27671720372472647 Energy: 0.2641047800031159 Energy: 0.27671840002888165 Energy: 0.27671779812436453 Energy: 0.27579526886484884 Energy: 0.2767179727684054 Energy: 0.27671780148918895 Energy: 0.47710153004102074 Energy: 0.27424872733090605 Energy: 0.27424872723885496 Energy: 0.3286919218129309 Energy: 0.3128354085443187 Energy: 0.3128352475558397 Energy: 0.2608072583918836 Energy: 0.2783548431471918 Energy: 0.27835540054825875 minimum gb energy = 0.2608072583918836 eV minimum distance = 2.58858290912378 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.36703174761726476 Energy: 0.264587192104022 Energy: 0.2645873511841578 Energy: 0.26569116618468186 Energy: 0.2656911492868749 Energy: 0.2656911686594482 Energy: 0.24370829642410288 Energy: 0.28467663855210734 Energy: 0.2846764174496261 Energy: 0.24370829626713125 Energy: 0.2656912678129569 Energy: 0.26568833199219377 Energy: 0.29216191832900434 Energy: 0.2664744344310265 Energy: 0.2664742716240127 Energy: 0.24370829625086018 Energy: 0.26569114302282054 Energy: 0.26568843407871245 Energy: 0.3436362426929508 Energy: 0.2747588404071138 Energy: 0.27475883700139947 Energy: 0.36703175838126817 Energy: 0.2656909076384517 Energy: 0.265690798340207 Energy: 0.26569002246092677 Energy: 0.2518790055817163 Energy: 0.2518790056527248 Energy: 0.2526516302750544 Energy: 0.26568826186247285 Energy: 0.26568826804377305 minimum gb energy = 0.24370829625086018 eV minimum distance = 2.60283889224642 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.3835623906016455 Energy: 0.2510348728128495 Energy: 0.25103488860649414 Energy: 0.39450108699723974 Energy: 0.24604909991919321 Energy: 0.2460491688943229 Energy: 0.23684976345692169 Energy: 0.25962689639447867 Energy: 0.2596262577438308 Energy: 0.2368497142814667 Energy: 0.2596264636345493 Energy: 0.2596263114288503 Energy: 0.23066358333252338 Energy: 0.2596260824508383 Energy: 0.25962603189770506 Energy: 0.24191861503162596 Energy: 0.24604919996887117 Energy: 0.2460491180856181 Energy: 0.37333170799569687 Energy: 0.2525141416908005 Energy: 0.2525150004225423 Energy: 0.41276718554655617 Energy: 0.259625983839926 Energy: 0.2596265886359544 Energy: 0.32455970956828084 Energy: 0.2596267427196701 Energy: 0.2596260358941289 Energy: 0.28925020178080696 Energy: 0.2891726422051294 Energy: 0.289172145359796 minimum gb energy = 0.23066358333252338 eV minimum distance = 2.55834123834683 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.3960212912051862 Energy: 0.2732623936035257 Energy: 0.27326783417589673 Energy: 0.3521693816617302 Energy: 0.24084047724134153 Energy: 0.24084011946095019 Energy: 0.22413383542996151 Energy: 0.24084041707348408 Energy: 0.24084045709471769 Energy: 0.23124580729931737 Energy: 0.24084045825594583 Energy: 0.24084050449400668 Energy: 0.22373465596149092 Energy: 0.2535859512011089 Energy: 0.25358675872980735 Energy: 0.2720749338863673 Energy: 0.27885359616634176 Energy: 0.27885215825356 Energy: 0.24084049659555548 Energy: 0.24084050448366964 Energy: 0.24084048095770716 Energy: 0.3910916887891041 Energy: 0.24698158648958843 Energy: 0.24698165766933294 Energy: 0.4034020134171242 Energy: 0.2308386549950447 Energy: 0.23083861100834852 Energy: 0.23124569459579328 Energy: 0.25359112520470906 Energy: 0.25359366197935357 minimum gb energy = 0.22373465596149092 eV minimum distance = 2.61001994657006 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.3756774467991851 Energy: 0.23116152254463318 Energy: 0.23115995622870736 Energy: 0.28776546727137564 Energy: 0.24158683142319087 Energy: 0.24158692280642374 Energy: 0.2189482552098118 Energy: 0.271201428712579 Energy: 0.27119303318210153 Energy: 0.2189483158927106 Energy: 0.23086359112685576 Energy: 0.23086452115528 Energy: 0.21894827616285278 Energy: 0.23589200120509726 Energy: 0.23589204234325242 Energy: 0.21894833580485543 Energy: 0.24158668087440888 Energy: 0.24158713749839386 Energy: 0.2877655294466778 Energy: 0.23589262546364764 Energy: 0.23589262542419814 Energy: 0.3972745234058991 Energy: 0.2358918980766202 Energy: 0.235891933865499 Energy: 0.29117496741471377 Energy: 0.2358921433919375 Energy: 0.2358920781169516 Energy: 0.2136230256566206 Energy: 0.23589275040684765 Energy: 0.2358921779672366 minimum gb energy = 0.2136230256566206 eV minimum distance = 2.60573318723291 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3583904539401343 Energy: 0.22584121921508393 Energy: 0.22584180086773886 Energy: 0.2796373903936561 Energy: 0.22640809191311853 Energy: 0.22640876332534665 Energy: 0.28736920431148283 Energy: 0.21444920780062823 Energy: 0.2144493635257605 Energy: 0.20476695032279696 Energy: 0.23111890482488887 Energy: 0.23111898318859372 Energy: 0.2146880181347306 Energy: 0.24846033079515042 Energy: 0.24846006107718882 Energy: 0.2088483287554876 Energy: 0.22197246387874325 Energy: 0.22197246200837883 Energy: 0.37330270469582216 Energy: 0.21137501388143573 Energy: 0.2113750558574575 Energy: 0.4021008563101698 Energy: 0.2311218766626347 Energy: 0.2311213687955217 Energy: 0.27783198240123325 Energy: 0.21806413502571229 Energy: 0.2180642049638715 Energy: 0.20861285852341072 Energy: 0.23112152466185615 Energy: 0.23111860397679473 minimum gb energy = 0.20476695032279696 eV minimum distance = 2.60699519064308 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.3866227464287483 Energy: 0.21550936611010907 Energy: 0.21551229095010815 Energy: 0.37997529124616036 Energy: 0.20765035807572146 Energy: 0.20765035814394683 Energy: 0.20498405016871624 Energy: 0.2142562994494809 Energy: 0.2142564347309238 Energy: 0.19528295675311078 Energy: 0.21799626112180737 Energy: 0.2179969508297531 Energy: 0.20498401317351567 Energy: 0.21425641027589018 Energy: 0.21425864518650775 Energy: 0.20038908485940943 Energy: 0.21799656164867726 Energy: 0.21800526926985445 Energy: 0.2626306309638604 Energy: 0.22214977692922588 Energy: 0.22214987548970447 Energy: 0.3841524666279395 Energy: 0.21799631723108367 Energy: 0.21800503494659818 Energy: 0.3189484266209727 Energy: 0.22214889156266932 Energy: 0.22214981767331105 Energy: 0.20237423509633615 Energy: 0.21799648274041428 Energy: 0.21799678992973762 minimum gb energy = 0.19528295675311078 eV minimum distance = 2.60415016428792 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.3703012298332309 Energy: 0.2111935420140323 Energy: 0.21119367110980286 Energy: 0.2552031374636286 Energy: 0.21069035673574604 Energy: 0.21069027398077567 Energy: 0.22945643835122512 Energy: 0.20734001286967232 Energy: 0.20734006236410316 Energy: 0.18899550216191963 Energy: 0.2073400177524343 Energy: 0.20734002106213498 Energy: 0.1930509784329846 Energy: 0.2142195944917521 Energy: 0.2142200042572665 Energy: 0.1968741114309674 Energy: 0.27250894488788974 Energy: 0.2725093991844971 Energy: 0.2552029943790584 Energy: 0.20734000089943624 Energy: 0.20734009003217194 Energy: 0.4099595843198611 Energy: 0.20734002604305302 Energy: 0.2073399974563275 Energy: 0.3644026747173444 Energy: 0.19901450746719998 Energy: 0.1990144725152991 Energy: 0.24532416452236291 Energy: 0.20734000956505338 Energy: 0.207340005253602 minimum gb energy = 0.18899550216191963 eV minimum distance = 2.60227096057359 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3559136800138188 Energy: 0.2050163058837356 Energy: 0.20501666764743953 Energy: 0.24862256450712303 Energy: 0.20415998440692837 Energy: 0.2041606331035365 Energy: 0.1898774341551176 Energy: 0.20732049715679418 Energy: 0.20732049954018422 Energy: 0.18689811633980027 Energy: 0.210626457325643 Energy: 0.21062795408397322 Energy: 0.18485324878759485 Energy: 0.2041599843459699 Energy: 0.20416050303611347 Energy: 0.27659528544784345 Energy: 0.1938883511329757 Energy: 0.19388837945435564 Energy: 0.3337632417028946 Energy: 0.19853316111235025 Energy: 0.19853390156459397 Energy: 0.3931452362932759 Energy: 0.20732440852978562 Energy: 0.20732121226861128 Energy: 0.29242511237001795 Energy: 0.2106254115602869 Energy: 0.21062770073363188 Energy: 0.19388833779369014 Energy: 0.23674739736858516 Energy: 0.23674495205392831 minimum gb energy = 0.18485324878759485 eV minimum distance = 2.60204618359869 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.012255243068012326 Energy: 0.012255243067335867 Energy: 0.012255243071413952 Energy: 0.01225524306528716 Energy: 0.18164808690237355 Energy: 0.18164808689899123 Energy: 0.012255243071761847 Energy: 0.18164808690204498 Energy: 0.18164808689694253 Energy: 0.012255243070061034 Energy: 0.1816480868993198 Energy: 0.1816480868979669 Energy: 0.01225524307106606 Energy: 0.18164808689864334 Energy: 0.18164808688741416 Energy: 0.012255243069365245 Energy: 0.18164808689456527 Energy: 0.1816480868996677 Energy: 0.012255243072766871 Energy: 0.1816480868887864 Energy: 0.18164808689729045 Energy: 0.01225524307106606 Energy: 0.012255243069036678 Energy: 0.01225524306971314 Energy: 0.012255243070737493 Energy: 0.1816480868993198 Energy: 0.1816480868938888 Energy: 0.01225524306528716 Energy: 0.18164808689626608 Energy: 0.18164808689591816 minimum gb energy = 0.01225524306528716 eV minimum distance = 2.87037102111103 Angstroms sigma value = 1