Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.051526293158533 cohesive_energy=3.3624417440272794 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.09114492093046e-19, 2.64508147036962e-19, 3.1174351856055e-19, 3.47369518194174e-19, 3.7496701071482396e-19, 3.9774836027366994e-19, 4.1717154760765195e-19, 4.340296501506e-19, 4.489571298495779e-19, 4.62498726760146e-19, 4.747778084831219e-19, 4.85584489879452e-19, 4.9487230782675e-19, 5.0286716923041e-19, 5.09827024528506e-19, 5.15921704444242e-19, 5.212393286924879e-19, 5.258295647488979e-19, 5.29714843086348e-19, 5.329127876478119e-19, 5.35425000609924e-19, 5.372322558530759e-19, 5.383201337875619e-19, 5.386806235302119e-19, 5.38289692431516e-19, 5.370399946569959e-19, 5.34833797431978e-19, 5.316006049845659e-19, 5.272731258961319e-19, 5.21731196919126e-19, 5.14748911148154e-19, 5.05944950544324e-19, 4.94761757639004e-19, 4.80459126827286e-19, 4.6211580654462e-19, 4.38855406172208e-19, 4.1034947950007995e-19, 3.77302984247196e-19, 3.4066440898088396e-19, 2.98764285648516e-19, 2.45112196705758e-19, 1.6979227096478399e-19, 6.189560816001479e-20, -9.373790745478439e-20, -3.2946839866249197e-19, -6.92185166833752e-19, -1.270292152973436e-18, -2.4670636245658796e-18, -5.06683553972598e-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: -9.23201098901316e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.010323693716167311 Energy: 0.32836059759091124 Energy: 0.010524527644271468 Energy: 0.010501486873827699 Energy: 0.32886720972413713 Energy: 0.010549413335504566 Energy: 0.3283605975918822 Energy: 0.11369916583294816 Energy: 0.11370239748068652 Energy: 0.11368579191044427 Energy: 0.11375093343286963 Energy: 0.11457517988459724 Energy: 0.010524527644021798 Energy: 0.11370239747505509 Energy: 0.1145585735281713 Energy: 0.010443582564955433 Energy: 0.11374144957459058 Energy: 0.11440547784263014 Energy: 0.010501486873827699 Energy: 0.1136857919058115 Energy: 0.010443582565926373 Energy: 0.010538318797283465 Energy: 0.1137605289730066 Energy: 0.010493606398990442 Energy: 0.3288672097226668 Energy: 0.1137509334326477 Energy: 0.11374144957922334 Energy: 0.11376052897691812 Energy: 0.1136958971195344 Energy: 0.1137328839174299 Energy: 0.010549413335254897 Energy: 0.11457517988631719 Energy: 0.11440547784263014 Energy: 0.010493606398740772 Energy: 0.11373288391573769 Energy: 0.010603207549200215 minimum gb energy = 0.010323693716167311 eV minimum distance = 2.86178533118393 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.0216602308553642 Energy: 0.6829573876468591 Energy: 0.7292452121749723 Energy: 0.712023187738459 Energy: 0.6928206696650557 Energy: 0.7287041869890892 Energy: 0.9364097742023821 Energy: 0.6923486628392971 Energy: 0.6755260209053531 Energy: 0.7212161073062366 Energy: 0.7011664664634298 Energy: 0.6532047903463611 Energy: 0.940085063428883 Energy: 0.6749361640235219 Energy: 0.6753324211619743 Energy: 0.6863892650093159 Energy: 0.6787747039554264 Energy: 0.6867258505002396 Energy: 1.0156139239844804 Energy: 0.6619919285123265 Energy: 0.6628203733572701 Energy: 0.6819562299861879 Energy: 0.6748574024870174 Energy: 0.6845944553737411 Energy: 0.9455590671576658 Energy: 0.688984607006544 Energy: 0.707771648460495 Energy: 0.7086171855821298 Energy: 0.6997637272940028 Energy: 0.7087110505151045 Energy: 0.9344892209437702 Energy: 0.7114765047251985 Energy: 0.7072294673008803 Energy: 0.696417884880722 Energy: 0.6932863467268439 Energy: 0.7084406325376472 Energy: 0.9360951514587227 Energy: 0.6935104487146285 Energy: 0.707986517868772 Energy: 0.6968703472737081 Energy: 0.6527537096391713 Energy: 0.7082348653730783 Energy: 0.7706872918896296 Energy: 0.7105069721772294 Energy: 0.7108503790270797 Energy: 0.6525498322835279 Energy: 0.6807164155598323 Energy: 0.7083590790712893 Energy: 0.7706737960003999 Energy: 0.7086398539326081 Energy: 0.7090317742043334 Energy: 0.7120780938348569 Energy: 0.6868935587347424 Energy: 0.706636268376982 Energy: 0.7712882196673784 Energy: 0.7085861709723387 Energy: 0.7081485436294321 Energy: 0.6811115807723912 Energy: 0.7125337408843269 Energy: 0.7092641367064694 Energy: 0.8187010076429944 Energy: 0.6735531033000498 Energy: 0.6501532449228459 Energy: 0.7206748149243334 Energy: 0.6958082081670667 Energy: 0.6708531070246537 Energy: 0.712781452915871 Energy: 0.6867512258189143 Energy: 0.686436064565882 Energy: 0.6806005754846246 Energy: 0.6809011591102148 Energy: 0.6619203483256866 Energy: 0.7116613113535357 Energy: 0.7146079328187662 Energy: 0.7089481897322459 Energy: 0.7011128113687568 Energy: 0.6864965324952499 Energy: 0.6764273794389499 Energy: 0.761624759613235 Energy: 0.661044313790787 Energy: 0.6610737328921193 Energy: 0.6816663650703736 Energy: 0.6848010999084193 Energy: 0.6782260112143714 Energy: 0.7306894335911908 Energy: 0.7220539326855605 Energy: 0.6744905579783631 Energy: 0.6940627755701956 Energy: 0.7231412933131293 Energy: 0.6905844373580566 Energy: 0.7299066454182721 Energy: 0.6873817263645368 Energy: 0.6875753068842897 Energy: 0.6868025213681123 Energy: 0.6779021461462866 Energy: 0.6858467630508008 Energy: 0.8469751352490841 Energy: 0.7070725508012033 Energy: 0.7062403275169987 Energy: 0.6622564222754239 Energy: 0.6964418706171812 Energy: 0.6859066372892603 Energy: 0.8501212908296302 Energy: 0.7200752019812947 Energy: 0.7133799657936071 Energy: 0.687688640988251 Energy: 0.6709024422749202 Energy: 0.713307496741566 Energy: 0.8514566823839359 Energy: 0.7188695883725793 Energy: 0.712757611626161 Energy: 0.669623696816475 Energy: 0.705897962964214 Energy: 0.7125447542114532 Energy: 0.8531934715551952 Energy: 0.7188466236088928 Energy: 0.7190931958975811 Energy: 0.6701180217699936 Energy: 0.7056176652907516 Energy: 0.7124371268720705 Energy: 0.9733455510034611 Energy: 0.6624672633785822 Energy: 0.6510677245714719 Energy: 0.6960445946268381 Energy: 0.6632436445644243 Energy: 0.6963251064250952 Energy: 0.9079515737266052 Energy: 0.6871878108539374 Energy: 0.6857933245703461 Energy: 0.678771848157348 Energy: 0.685071461865664 Energy: 0.6857946581012344 Energy: 0.971543736604421 Energy: 0.6836277125218124 Energy: 0.6714814144118816 Energy: 0.7119128311001526 Energy: 0.6927468516130014 Energy: 0.6745490640382028 minimum gb energy = 0.6501532449228459 eV minimum distance = 2.65930693794372 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.2618921923811084 Energy: 0.7283041147381798 Energy: 0.7026069872275771 Energy: 0.7191370192185772 Energy: 0.7275038329878609 Energy: 0.7093517882620773 Energy: 0.9097800512993267 Energy: 0.7039692832781866 Energy: 0.7035843734822063 Energy: 0.7425695516638262 Energy: 0.7068799254544659 Energy: 0.6937337929071666 Energy: 0.8934980737604744 Energy: 0.7170970838862943 Energy: 0.7175040350384904 Energy: 0.7020953011392032 Energy: 0.7170577828560214 Energy: 0.6816100107467308 Energy: 0.9828487328077876 Energy: 0.7179457176521816 Energy: 0.7188138080519385 Energy: 0.6897162738848212 Energy: 0.7379591484260352 Energy: 0.6897187959485224 Energy: 0.9055908906398816 Energy: 0.745966425826411 Energy: 0.7176745479332258 Energy: 0.6796772025277674 Energy: 0.7445691449807837 Energy: 0.719184692996026 Energy: 0.9607638482113423 Energy: 0.7199963532946003 Energy: 0.7183457651040148 Energy: 0.7141244307291861 Energy: 0.7202935081771479 Energy: 0.7171858184385795 Energy: 0.9598306727988062 Energy: 0.7198199085844486 Energy: 0.716801246767513 Energy: 0.7138115894545947 Energy: 0.7261243661620309 Energy: 0.7173489700736142 Energy: 0.8209338748928293 Energy: 0.7204231453190556 Energy: 0.7206898911732484 Energy: 0.7343460160791483 Energy: 0.7202374930412476 Energy: 0.7197037569723989 Energy: 0.793989630134822 Energy: 0.719324294757671 Energy: 0.7256068841314909 Energy: 0.7331627973067972 Energy: 0.719254185023945 Energy: 0.7254072217411157 Energy: 0.7935952786593075 Energy: 0.7320236305978925 Energy: 0.717530324537846 Energy: 0.7266304839422029 Energy: 0.6935181472312254 Energy: 0.7186737410098665 Energy: 0.7805539921062157 Energy: 0.6630026834724214 Energy: 0.6655833545326629 Energy: 0.7141012758467045 Energy: 0.6557418925269987 Energy: 0.6642345586043398 Energy: 0.7431328956545254 Energy: 0.6964998371114483 Energy: 0.6889998646188603 Energy: 0.6884405885814991 Energy: 0.6878172725252516 Energy: 0.6901667997405606 Energy: 0.7436766469855824 Energy: 0.7277423037845258 Energy: 0.6777398148365743 Energy: 0.7225968056217947 Energy: 0.7255790625805187 Energy: 0.7207960378871547 Energy: 0.8421349689249621 Energy: 0.6772822263886767 Energy: 0.6774963143236051 Energy: 0.7249408116651292 Energy: 0.6776731056578166 Energy: 0.6731087167648552 Energy: 0.7928960767268316 Energy: 0.7272171831012239 Energy: 0.7089098226670014 Energy: 0.685339432824583 Energy: 0.7331229493222162 Energy: 0.7091434721464429 Energy: 0.7928751121251855 Energy: 0.7091118350090274 Energy: 0.7084204254951068 Energy: 0.6863372069485094 Energy: 0.7092503572836275 Energy: 0.7085555794273886 Energy: 0.8307397733941471 Energy: 0.7094476897506126 Energy: 0.7082806179351863 Energy: 0.6522806176487281 Energy: 0.702935686248747 Energy: 0.7083922714478507 Energy: 0.8774236845713721 Energy: 0.7193411199858114 Energy: 0.7266693466730064 Energy: 0.7193680801778404 Energy: 0.6955024786421695 Energy: 0.7202455400835195 Energy: 0.8865507704817813 Energy: 0.7407799655739751 Energy: 0.731683333112982 Energy: 0.7155831744696605 Energy: 0.7342230516172876 Energy: 0.7161663769814001 Energy: 0.8089561043717126 Energy: 0.6836219464644788 Energy: 0.7076292107402424 Energy: 0.6332793608252122 Energy: 0.6883145819903836 Energy: 0.7017831112302916 Energy: 1.0263480357487549 Energy: 0.6494958595703637 Energy: 0.6494003832994257 Energy: 0.6503350626249046 Energy: 0.7226292621681849 Energy: 0.6495289335625459 Energy: 0.808053200679085 Energy: 0.6480135738518957 Energy: 0.6483087856841834 Energy: 0.6691655221444383 Energy: 0.648101113872703 Energy: 0.6479463377375194 Energy: 0.8098634207375078 Energy: 0.6559736449987401 Energy: 0.6485854332244125 Energy: 0.7079802844910402 Energy: 0.6565228070703331 Energy: 0.6749363922451368 Energy: 1.046238068495843 Energy: 0.6900808222956455 Energy: 0.6803350781745496 Energy: 0.6770984103062284 Energy: 0.7523824208440656 Energy: 0.7348373618793714 Energy: 0.8097467116362277 Energy: 0.7348591822840805 Energy: 0.7260045229813409 Energy: 0.6971306742947387 Energy: 0.7351974041847207 Energy: 0.6916479996439509 Energy: 0.9557215813254288 Energy: 0.7080366079683441 Energy: 0.7093592716982186 Energy: 0.7056756809187998 Energy: 0.6968834926649226 Energy: 0.7083530908254666 Energy: 0.9541720322036918 Energy: 0.7086388722347958 Energy: 0.7089482167756826 Energy: 0.7055224755562511 Energy: 0.7132762068767275 Energy: 0.7087811473175821 Energy: 0.8132843336173772 Energy: 0.7197534861356213 Energy: 0.7201267645449626 Energy: 0.6850337614671718 Energy: 0.7193509686617988 Energy: 0.7215379419364631 Energy: 0.7938096554635509 Energy: 0.7196226276596243 Energy: 0.7204456128789811 Energy: 0.7307657146285366 Energy: 0.7196746521968056 Energy: 0.7219233878788551 Energy: 0.7931540130562466 Energy: 0.719986559124612 Energy: 0.7202872128309616 Energy: 0.7242560562837796 Energy: 0.7029231393716348 Energy: 0.7205644364095751 Energy: 0.7987430698824614 Energy: 0.665301293816698 Energy: 0.6650681194757335 Energy: 0.695648764845769 Energy: 0.6657765427578247 Energy: 0.6648246311281036 Energy: 0.7446450598449386 Energy: 0.6643378298025283 Energy: 0.6657509634101914 Energy: 0.6876409117145087 Energy: 0.66253368401448 Energy: 0.6886545561303852 Energy: 0.7427704842929758 Energy: 0.7260654437174479 Energy: 0.6870266546327407 Energy: 0.719124203997973 Energy: 0.7280428883343664 Energy: 0.688363785732086 Energy: 0.7523388261715548 Energy: 0.6773311501965212 Energy: 0.7189544353564576 Energy: 0.7191685979496403 Energy: 0.6774588369665345 Energy: 0.7193932716570947 Energy: 0.7952628344144044 Energy: 0.7256927035049935 Energy: 0.6877415013302056 Energy: 0.719838836367282 Energy: 0.7249765352059345 Energy: 0.7241498237312115 Energy: 0.7972698974057442 Energy: 0.7125337811507778 Energy: 0.7129176000090973 Energy: 0.7138489540753298 Energy: 0.7150721160191673 Energy: 0.7130971191810771 Energy: 0.7965283118599394 Energy: 0.7142228181070434 Energy: 0.7141377484529858 Energy: 0.7127010289119149 Energy: 0.7142980521960112 Energy: 0.7142573799566375 Energy: 0.8874340655033327 Energy: 0.7245156170915833 Energy: 0.7254512025073634 Energy: 0.7190912288993513 Energy: 0.6813156597379417 Energy: 0.7202781689469079 Energy: 0.8763115588419883 Energy: 0.7233055059952583 Energy: 0.7233152215067601 Energy: 0.7200539508400227 Energy: 0.7235299783431869 Energy: 0.7206903871365647 Energy: 0.9064022021228031 Energy: 0.7258979594597945 Energy: 0.7239464703940945 Energy: 0.7357630768915588 Energy: 0.7344904051262229 Energy: 0.7244679409380107 Energy: 0.9903803600648498 Energy: 0.702138859502588 Energy: 0.6761880215273711 Energy: 0.676850068902017 Energy: 0.7093007460189371 Energy: 0.6793617617395448 minimum gb energy = 0.6332793608252122 eV minimum distance = 2.67297700366222 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 1.0678398946221501 Energy: 0.7256908442003602 Energy: 0.6586090599264847 Energy: 0.7081973614726628 Energy: 0.7183212141742351 Energy: 0.7135646880640396 Energy: 0.8292686673423171 Energy: 0.6734890040984715 Energy: 0.675652446008174 Energy: 0.6991409300349486 Energy: 0.6739125998456688 Energy: 0.6563900948638998 Energy: 0.8951939379853294 Energy: 0.6745897157135827 Energy: 0.6744599158401293 Energy: 0.6841975552813446 Energy: 0.6745982147302337 Energy: 0.67474963815708 Energy: 0.9719462681216939 Energy: 0.6744354190321911 Energy: 0.6748925674171291 Energy: 0.6828857673736051 Energy: 0.6750230027330407 Energy: 0.6815820272705292 Energy: 0.8298355515677488 Energy: 0.7083460633827063 Energy: 0.7087085771601942 Energy: 0.708005452846549 Energy: 0.7082525770630806 Energy: 0.7076376186011004 Energy: 0.8297219170788827 Energy: 0.7100491117789195 Energy: 0.7079839161219459 Energy: 0.7082400184097991 Energy: 0.7085941951738342 Energy: 0.7075377478812737 Energy: 0.8292018621485538 Energy: 0.7095668636564743 Energy: 0.7076920889397352 Energy: 0.7082403350036727 Energy: 0.7107359627973975 Energy: 0.7076098809721536 Energy: 0.8509847583724304 Energy: 0.6599981337942931 Energy: 0.6599723503904459 Energy: 0.6987775627343973 Energy: 0.6607915191758277 Energy: 0.6597123365576921 Energy: 0.7284281405261045 Energy: 0.6602314310083849 Energy: 0.6598374218473008 Energy: 0.6741216765655593 Energy: 0.6605257948770318 Energy: 0.6739832980573269 Energy: 0.7276627409080626 Energy: 0.6913646426066639 Energy: 0.6563953802673548 Energy: 0.6742583459645182 Energy: 0.7141966479472208 Energy: 0.6742168995134153 Energy: 0.7582071569798552 Energy: 0.6719589880839197 Energy: 0.6629695999411797 Energy: 0.688503474895521 Energy: 0.6720556061011504 Energy: 0.67171764201217 Energy: 0.7489499249596002 Energy: 0.6567042772427358 Energy: 0.6562860881225326 Energy: 0.6662239121187803 Energy: 0.7016978539982267 Energy: 0.6568814868965885 Energy: 0.7475160959113403 Energy: 0.6842176511795781 Energy: 0.6842563122436447 Energy: 0.6828376596851724 Energy: 0.6842034250667705 Energy: 0.6839773685191606 Energy: 0.7489711093901069 Energy: 0.6854849438526167 Energy: 0.6850871588643259 Energy: 0.6846676733907053 Energy: 0.685812906370135 Energy: 0.685860107299401 Energy: 0.8830634543093462 Energy: 0.6845153446725155 Energy: 0.6840428488066005 Energy: 0.697911322936408 Energy: 0.6854404465808344 Energy: 0.684523550968543 Energy: 0.8826696064975443 Energy: 0.6848026983293578 Energy: 0.6845318688081846 Energy: 0.6993843952052813 Energy: 0.68522765906587 Energy: 0.6991789514420241 Energy: 0.9013923926800069 Energy: 0.6845525014179061 Energy: 0.6846429296919699 Energy: 0.7057586537527959 Energy: 0.6856463232997516 Energy: 0.6848930985263133 Energy: 1.0306096627419903 Energy: 0.6741918934638756 Energy: 0.6790345727570212 Energy: 0.6588789614841513 Energy: 0.6741559823494702 Energy: 0.6434919554802554 minimum gb energy = 0.6434919554802554 eV minimum distance = 2.70601942085107 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.9025580310152564 Energy: 0.6182378355197574 Energy: 0.6281043514227694 Energy: 0.6296527060454712 Energy: 0.6418543997394817 Energy: 0.6287857447808612 Energy: 0.7889261228654482 Energy: 0.615721610502138 Energy: 0.6163027262730744 Energy: 0.6460219705770752 Energy: 0.6218293838846505 Energy: 0.6225187701867448 Energy: 0.9803892524552322 Energy: 0.6210571462045681 Energy: 0.6225621125520328 Energy: 0.6171633819534609 Energy: 0.6480678448279446 Energy: 0.6170170111460958 Energy: 0.7753214627170883 Energy: 0.6170604689683179 Energy: 0.6219785815270281 Energy: 0.6252701695573969 Energy: 0.6224776286123704 Energy: 0.6193533248026695 Energy: 0.785597207784237 Energy: 0.6180174940363272 Energy: 0.6435864256165502 Energy: 0.6474491697466895 Energy: 0.6444796324651765 Energy: 0.6411487545204366 Energy: 0.7913826985514157 Energy: 0.580600931693904 Energy: 0.6399341833729308 Energy: 0.6438189187041857 Energy: 0.5806000289340024 Energy: 0.6409199046341353 Energy: 0.7872756367304276 Energy: 0.6421832359873263 Energy: 0.6417905085774124 Energy: 0.6428888464457667 Energy: 0.6076582184886399 Energy: 0.6417093002473444 Energy: 0.7716544408072558 Energy: 0.5808582365808582 Energy: 0.5811766407174311 Energy: 0.7492831211926377 Energy: 0.5816972324373855 Energy: 0.5806402085318649 Energy: 0.6753554499059942 Energy: 0.5810200807378236 Energy: 0.5806702562590522 Energy: 0.6185024483736012 Energy: 0.5807012657946437 Energy: 0.5808736351337624 Energy: 0.6745630457997542 Energy: 0.6166886490704504 Energy: 0.6193323856843637 Energy: 0.6210272256199292 Energy: 0.6486929127111404 Energy: 0.6179569299482713 Energy: 0.6748970831148781 Energy: 0.6256570187662748 Energy: 0.6251537269403867 Energy: 0.6163345177158746 Energy: 0.6251227728054141 Energy: 0.6221715720336811 Energy: 0.7873846096657255 Energy: 0.6460224256969506 Energy: 0.6456439323620534 Energy: 0.6212520431536332 Energy: 0.6462319421276943 Energy: 0.6188736362695012 Energy: 0.648761279538963 Energy: 0.6417946077547064 Energy: 0.6398146411422875 Energy: 0.5811232914859403 Energy: 0.6424730006734931 Energy: 0.63944821063805 Energy: 0.7879541139432 Energy: 0.6467367499542834 Energy: 0.6451364309304518 Energy: 0.6235975298999952 Energy: 0.6464078811360807 Energy: 0.6467011626314526 Energy: 0.905317939213106 Energy: 0.6143037822262419 Energy: 0.6158486327453382 Energy: 0.5809488800986082 Energy: 0.6156321592938442 Energy: 0.580886476367467 Energy: 0.9098772330252918 Energy: 0.6191732199430168 Energy: 0.5806962844810827 Energy: 0.5816676475785487 Energy: 0.6429926376699503 Energy: 0.5809780368816251 Energy: 0.7867664864644335 Energy: 0.6155978376580316 Energy: 0.616390415599584 Energy: 0.6472727676318643 Energy: 0.6191348364329503 Energy: 0.6225467062328005 Energy: 0.7740124911677275 Energy: 0.6178503264679258 Energy: 0.6170779958991637 Energy: 0.6253260539813075 Energy: 0.6217816173378247 Energy: 0.6156168394456681 Energy: 0.7738353712011207 Energy: 0.6169593845647282 Energy: 0.6162812477568809 Energy: 0.6252007999313585 Energy: 0.6165828631957075 Energy: 0.6163978137619721 Energy: 0.787720492109855 Energy: 0.5803585361222917 Energy: 0.6398377458433839 Energy: 0.6470313151060787 Energy: 0.5808396992107803 Energy: 0.6404781066147541 Energy: 0.7833100669389975 Energy: 0.6459998461773945 Energy: 0.645859656320783 Energy: 0.6460220228980489 Energy: 0.642921118823531 Energy: 0.6454144769608555 Energy: 0.7877645196391558 Energy: 0.6410132708000499 Energy: 0.642968833117015 Energy: 0.6420989063164637 Energy: 0.6424511383515467 Energy: 0.6398832040674015 Energy: 0.771111770847382 Energy: 0.5807532051240781 Energy: 0.5804534683862992 Energy: 0.6417348904379413 Energy: 0.5805975711544534 Energy: 0.6285938953338858 Energy: 0.6748777026674136 Energy: 0.6178936375956081 Energy: 0.6213010442917126 Energy: 0.6212248935680851 Energy: 0.6184263010453118 Energy: 0.6182691160536992 Energy: 0.6755054703412218 Energy: 0.6167490179871733 Energy: 0.6159000997208991 Energy: 0.6200226505542181 Energy: 0.6446465978228881 Energy: 0.616712001609465 Energy: 0.7720658090218181 Energy: 0.6253142099294401 Energy: 0.6255689442613469 Energy: 0.7522974934045465 Energy: 0.6251283060848924 Energy: 0.6182861167430852 Energy: 0.7872357068338892 Energy: 0.6460519303576946 Energy: 0.6423155352328372 Energy: 0.6452337297120345 Energy: 0.646508407537938 Energy: 0.6407696251261821 Energy: 0.6500438926057825 Energy: 0.641830099920195 Energy: 0.641495353387469 Energy: 0.5804176022006631 Energy: 0.6454976670822969 Energy: 0.6400055274603212 Energy: 0.7723461414806583 Energy: 0.6414902229909462 Energy: 0.6440445348545719 Energy: 0.6070639113732935 Energy: 0.6424583191998272 Energy: 0.6421619511871562 Energy: 0.9104567926420037 Energy: 0.6430841892752592 Energy: 0.5806770461542088 Energy: 0.5813754586416521 Energy: 0.6150915018821174 Energy: 0.5807283279835399 minimum gb energy = 0.5803585361222917 eV minimum distance = 2.75928990151536 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7797524697669797 Energy: 0.6887644022367271 Energy: 0.8479562038240093 Energy: 0.6201015207271908 Energy: 0.6602425218581567 Energy: 0.8506693616459624 Energy: 0.788784056424063 Energy: 0.6649045008237716 Energy: 0.6294420157016621 Energy: 0.6300957465574621 Energy: 0.6646126615795472 Energy: 0.6302849366388596 Energy: 0.7076237535990222 Energy: 0.659676811491969 Energy: 0.6256879903039849 Energy: 0.631094526469281 Energy: 0.6590391635820847 Energy: 0.6259259698495686 Energy: 0.7085138164006126 Energy: 0.6601675690381922 Energy: 0.6102281147329345 Energy: 0.6269348499861505 Energy: 0.7009200181355819 Energy: 0.6273794344902532 Energy: 0.7900752921740428 Energy: 0.5707613781407028 Energy: 0.6299643536818782 Energy: 0.6588254075023363 Energy: 0.5703968171695174 Energy: 0.6259084040002284 Energy: 0.6846076575383192 Energy: 0.5714043625509299 Energy: 0.5703556989386991 Energy: 0.6584317072160443 Energy: 0.5705504270065342 Energy: 0.5699944015007439 Energy: 0.6865446178505032 Energy: 0.6298181525404162 Energy: 0.6302099392301576 Energy: 0.6603806304617854 Energy: 0.6299086955825907 Energy: 0.6291875177904837 Energy: 0.6894697116156552 Energy: 0.6202818245739151 Energy: 0.621738472509288 Energy: 0.6640380267125597 Energy: 0.6192489808279948 Energy: 0.6239079633958817 Energy: 0.7072155516741897 Energy: 0.6190402418380648 Energy: 0.6488751865287246 Energy: 0.6634472934823102 Energy: 0.6219277597039858 Energy: 0.6302304799529922 Energy: 0.7083100236023125 Energy: 0.6091558441107872 Energy: 0.6072800652641481 Energy: 0.6104501797881442 Energy: 0.6115823815474483 Energy: 0.6077048262530268 Energy: 0.7072703729263766 Energy: 0.6098409309546258 Energy: 0.6112491694497298 Energy: 0.6096555462925027 Energy: 0.636685562464113 Energy: 0.6094341448413327 Energy: 0.7076184272753255 Energy: 0.6293636679553134 Energy: 0.6296230853886263 Energy: 0.6099587117796055 Energy: 0.6096296154922232 Energy: 0.6108992455868499 minimum gb energy = 0.5699944015007439 eV minimum distance = 2.70543908544774 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 1.2335954715244863 Energy: 0.5855587905512606 Energy: 0.5635528962128181 Energy: 0.6863749408985715 Energy: 0.5852663843968159 Energy: 0.7460358328149381 Energy: 0.6066825898869328 Energy: 0.5864802229063304 Energy: 0.593831865724384 Energy: 0.5650249289675404 Energy: 0.588800624463119 Energy: 0.5680910704576192 Energy: 0.6082282679495791 Energy: 0.5847148691895038 Energy: 0.5531699791506377 Energy: 0.5834804960392067 Energy: 0.5824896168435233 Energy: 0.5573603186696008 Energy: 0.6079392266167261 Energy: 0.584166332528262 Energy: 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0.5844417254312545 Energy: 0.5541847667824393 Energy: 0.6024908247376175 Energy: 0.587635746150247 Energy: 0.5743738578492993 Energy: 0.5857730234137125 Energy: 0.5834237080583399 Energy: 0.5712897413706379 Energy: 0.6072279309176588 Energy: 0.5674038126637773 Energy: 0.5687487694974074 Energy: 0.5863241739862946 Energy: 0.6021041966304879 Energy: 0.5882934786131372 Energy: 0.6087910310148178 Energy: 0.5684084933020315 Energy: 0.570151263250971 Energy: 0.5850810923424827 Energy: 0.5547076068475021 Energy: 0.5597425819312786 Energy: 0.6068323114116706 Energy: 0.5652277678024751 Energy: 0.5587600765366465 Energy: 0.5663388213720186 Energy: 0.5649278830089007 Energy: 0.5565471104810013 Energy: 0.6075441346327972 Energy: 0.5539222946845981 Energy: 0.5566292132068887 Energy: 0.589169571306597 Energy: 0.5539599614402324 Energy: 0.5588434789833052 Energy: 0.635972350465345 Energy: 0.5896695783398784 Energy: 0.6338647052217832 Energy: 0.619773203396628 Energy: 0.5874441485850351 Energy: 0.5344303046201995 Energy: 0.6323143022346092 Energy: 0.5861553265087789 Energy: 0.590530242760148 Energy: 0.6172337090702378 Energy: 0.586630093660437 Energy: 0.5489696469993548 Energy: 0.60808434800556 Energy: 0.5844095085252293 Energy: 0.5551865393899971 Energy: 0.5839732549116778 Energy: 0.5840197519818855 Energy: 0.5562557079288908 Energy: 0.7950196736321955 Energy: 0.5787045382320067 Energy: 0.584638833977113 Energy: 0.5702087312508682 Energy: 0.5818123544837481 Energy: 0.5709875504175544 Energy: 0.6080274272256658 Energy: 0.5905821795022221 Energy: 0.563990622022515 Energy: 0.6331870329586664 Energy: 0.5783052591864664 Energy: 0.5623657610936675 Energy: 0.5849882809270559 Energy: 0.597422364387954 Energy: 0.6098153132111859 Energy: 0.5850318888929451 Energy: 0.5986835411694069 Energy: 0.5511006275308883 Energy: 0.634061483587051 Energy: 0.576805609594925 Energy: 0.5769769774864292 Energy: 0.6332959426056521 Energy: 0.591012124851209 Energy: 0.6092578286611867 Energy: 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0.5974723863783579 Energy: 0.5654632301590975 Energy: 0.624322672396933 Energy: 0.6325093503003704 Energy: 0.5710515468558994 Energy: 0.6006597895437907 Energy: 0.5782064965805191 Energy: 0.5701150787438839 Energy: 0.6164118193419248 Energy: 0.5889654093904205 Energy: 0.570254511421566 Energy: 0.5983494129533016 Energy: 0.5720181617470073 Energy: 0.5574938948529392 Energy: 0.582287778445175 Energy: 0.5832184566835596 Energy: 0.5557743335423362 Energy: 0.6023634929007273 Energy: 0.5679348536564468 Energy: 0.5682327870487417 Energy: 0.5880067184180221 Energy: 0.56586874623926 Energy: 0.5536956548003156 Energy: 0.6624170632366363 Energy: 0.580981013363748 Energy: 0.5941667436629682 Energy: 0.6505902571395303 Energy: 0.5812909922572146 Energy: 0.5578597097704024 Energy: 0.6069103877926153 Energy: 0.5659910398163748 Energy: 0.5687049553199535 Energy: 0.6019604536020209 Energy: 0.5542810794011747 Energy: 0.5665096641771515 Energy: 0.6047803263068264 Energy: 0.5604865647469491 Energy: 0.5659951453087746 Energy: 0.5629126504901134 Energy: 0.5667901163038859 Energy: 0.557159785237307 Energy: 0.6085186292085968 Energy: 0.5549164531527543 Energy: 0.5550338615872745 Energy: 0.5694904742454356 Energy: 0.5671759068676964 Energy: 0.5554958211617936 Energy: 0.6324647559082452 Energy: 0.5860317276188342 Energy: 0.5699150727250342 Energy: 0.6173071826892562 Energy: 0.5865368149800979 Energy: 0.5491143592153181 minimum gb energy = 0.5344303046201995 eV minimum distance = 2.68255357096668 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.5584081635340732 Energy: 0.4432919972310243 Energy: 0.30212585209586323 Energy: 0.2770162563358131 Energy: 0.4635597420056563 Energy: 0.5366472259460524 Energy: 0.6457800412167652 Energy: 0.4880909926063135 Energy: 0.48271829963677537 Energy: 0.4875844899256656 Energy: 0.48807403553829515 Energy: 0.4600302117607958 Energy: 0.6463561388731283 Energy: 0.4882144804168864 Energy: 0.45958144402232104 Energy: 0.45952131198881174 Energy: 0.4432275783304931 Energy: 0.7498327789730992 Energy: 0.6462533547005067 Energy: 0.6191291386631801 Energy: 0.6115742623034501 Energy: 0.6233700195062185 Energy: 0.6155102034022145 Energy: 0.6095742806845692 Energy: 0.6459362251418647 Energy: 0.37424792723920686 Energy: 0.3801958158183998 Energy: 0.6130633945768844 Energy: 0.371173552239678 Energy: 0.6237909521723315 Energy: 0.623113460453273 Energy: 0.37264734336634686 Energy: 0.3731699626561352 Energy: 0.5363588677941158 Energy: 0.3709768397377062 Energy: 0.35532356267071763 Energy: 0.6216833404616251 Energy: 0.6082377743033138 Energy: 0.5060531557337337 Energy: 0.5423147907468608 Energy: 0.4669777146178935 Energy: 0.610420536071157 Energy: 0.6263405924172781 Energy: 0.6052190307617707 Energy: 0.7819908556844445 Energy: 0.67382255114995 Energy: 0.6710933517722427 Energy: 0.6090253712075335 Energy: 0.696416911479078 Energy: 0.6849820917404092 Energy: 0.6989549418205113 Energy: 0.6838258517073997 Energy: 0.44368063695381516 Energy: 0.6905646953269428 Energy: 0.4640843840371308 Energy: 0.45110693108701294 Energy: 0.3051745099561527 Energy: 0.27610383525314297 Energy: 0.6727211631785691 Energy: 0.4579484865291131 Energy: 0.4641356625964637 Energy: 0.6881411403007821 Energy: 0.6739915085620507 Energy: 0.2761926886066942 Energy: 0.44486800806752314 Energy: 0.4333542709189255 Energy: 0.44383264070580053 Energy: 0.6840285455763455 Energy: 0.6964024106197231 Energy: 0.6588581493821792 Energy: 0.44423101354799766 Energy: 0.6811154960273285 Energy: 0.6426410854034522 Energy: 0.689188792683097 Energy: 0.6787343939307315 Energy: 0.46058477668291714 Energy: 0.505165872820428 Energy: 0.6208364580606178 Energy: 0.6410320472752703 Energy: 0.6173033705303679 Energy: 0.4677792407048652 Energy: 0.48444405052148287 Energy: 0.5059802572210059 Energy: 0.6203980284326556 Energy: 0.6412754950527079 Energy: 0.3721202980214591 Energy: 0.3726167565151467 Energy: 0.4455053887003361 Energy: 0.3723110835680148 Energy: 0.38358012671496566 Energy: 0.6211358424666872 Energy: 0.618196751845197 Energy: 0.6143334405055916 Energy: 0.5969869553418242 Energy: 0.37175733229478947 Energy: 0.6222185211462906 Energy: 0.622928070720537 Energy: 0.6669929487772898 Energy: 0.6016034708507958 Energy: 0.6230690306003682 Energy: 0.4431340604744182 Energy: 0.6091075698641075 Energy: 0.6462504593869495 Energy: 0.5147681072943919 Energy: 0.4828501984153856 Energy: 0.4607817780805471 Energy: 0.44341695568806283 Energy: 0.6173624739556871 Energy: 0.559269523783838 Energy: 0.48778967166463116 Energy: 0.48460527040599144 Energy: 0.2762072536429543 Energy: 0.4975799501145977 Energy: 0.46764116568757486 minimum gb energy = 0.27610383525314297 eV minimum distance = 2.68279499209397 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 1.0268710511040868 Energy: 0.6539628495687315 Energy: 0.5628574685076548 Energy: 0.5233627517351469 Energy: 0.6397785011272921 Energy: 0.5629279746081466 Energy: 0.50437365892465 Energy: 0.5309934036244437 Energy: 0.5155631032203147 Energy: 0.5110328770706317 Energy: 0.5038112720895417 Energy: 0.510045027886274 Energy: 0.5031501791914998 Energy: 0.5117419544068661 Energy: 0.5081314390893482 Energy: 0.5041791129899129 Energy: 0.50866294958502 Energy: 0.5070092730106035 Energy: 0.5037283701054046 Energy: 0.5270892906411827 Energy: 0.5122934964096968 Energy: 0.5036612428879502 Energy: 0.5064304747806682 Energy: 0.5160777493278585 Energy: 0.5041332017225726 Energy: 0.537703449426619 Energy: 0.5370184446812666 Energy: 0.5049291351547638 Energy: 0.5367060621284658 Energy: 0.5326426300413336 Energy: 0.5484756406753979 Energy: 0.5336549766436062 Energy: 0.5229881051592575 Energy: 0.5262033261471902 Energy: 0.5194270420694614 Energy: 0.5397889047332659 Energy: 0.5471601859016614 Energy: 0.5116934714023721 Energy: 0.5164791574963147 Energy: 0.5041778622168389 Energy: 0.5095880320871575 Energy: 0.5122931574966562 Energy: 0.5396936049298936 Energy: 0.5155171666790872 Energy: 0.516138145508359 Energy: 0.5191004797037851 Energy: 0.5146998955570476 Energy: 0.5172923893077336 Energy: 0.5477687346971063 Energy: 0.516619898564023 Energy: 0.5358888361637719 Energy: 0.5243191967012119 Energy: 0.5058511876383635 Energy: 0.533540023602622 Energy: 0.6773152240239453 Energy: 0.5200563683550892 Energy: 0.5411974320413346 Energy: 0.5071896772880327 Energy: 0.5331835765990982 Energy: 0.5246243250770135 Energy: 0.5866222602734259 Energy: 0.5267728205127566 Energy: 0.5446178058955123 Energy: 0.5288516378292396 Energy: 0.5336646952739496 Energy: 0.5382452886399273 Energy: 0.6152787928326975 Energy: 0.4931512467321354 Energy: 0.5091550991893563 Energy: 0.5515443690352927 Energy: 0.4899904279012992 Energy: 0.5156334770293151 Energy: 0.577592677504449 Energy: 0.48712036904396677 Energy: 0.5286841803479263 Energy: 0.5162724304621531 Energy: 0.49090043171710224 Energy: 0.5151669477932093 Energy: 0.5772100953471695 Energy: 0.5382721661783986 Energy: 0.5384075827201446 Energy: 0.5317791015511684 Energy: 0.5255171473915312 Energy: 0.5374261675958659 Energy: 0.5773200352241629 Energy: 0.5176619710915467 Energy: 0.5287091894623824 Energy: 0.5274699288639385 Energy: 0.5171703950087677 Energy: 0.5343790144342657 Energy: 0.725073763830663 Energy: 0.5390991042635812 Energy: 0.5391167871056166 Energy: 0.5331003068365384 Energy: 0.53825347991384 Energy: 0.5389210746146211 Energy: 0.7631432998672664 Energy: 0.6985427166051266 Energy: 0.5169605434528677 Energy: 0.5266637396281475 Energy: 0.5409721648098855 Energy: 0.5061687507267584 Energy: 0.5901875019269683 Energy: 0.5261049427477819 Energy: 0.5414770173775618 Energy: 0.5206067708414456 Energy: 0.524711145500256 Energy: 0.5407231120474284 Energy: 0.5852873900214856 Energy: 0.5194421200022252 Energy: 0.5231101534815702 Energy: 0.506066501128637 Energy: 0.5169514559661293 Energy: 0.5253036408232227 Energy: 0.6425526130209572 Energy: 0.5975167472759934 Energy: 0.521698929258293 Energy: 0.528547335731023 Energy: 0.5755134550025961 Energy: 0.5224965836360107 Energy: 0.7244996465117662 Energy: 0.5401651979572195 Energy: 0.5275622136573522 Energy: 0.5319883543641688 Energy: 0.5364859195199941 Energy: 0.5233334865440372 Energy: 0.5433368953140297 Energy: 0.5114728066288309 Energy: 0.518222908234836 Energy: 0.5366242031639777 Energy: 0.5112060355020539 Energy: 0.5460712731115797 Energy: 0.5061775090471266 Energy: 0.5346231751123197 Energy: 0.5258068389991024 Energy: 0.5073928428874673 Energy: 0.5191969767838059 Energy: 0.5230114662431062 Energy: 0.5103789454425435 Energy: 0.5053502066585053 Energy: 0.5141841992598047 Energy: 0.5043516589840221 Energy: 0.5059303970394808 Energy: 0.5069618014938606 Energy: 0.5684766412063071 Energy: 0.507714840434469 Energy: 0.5108169254151236 Energy: 0.5237200893733855 Energy: 0.5042642172302126 Energy: 0.5132172797175423 Energy: 0.5805344540237807 Energy: 0.5317463260407106 Energy: 0.5365122874452971 Energy: 0.5341663238706367 Energy: 0.516778194526655 Energy: 0.5374049169029679 minimum gb energy = 0.48712036904396677 eV minimum distance = 2.69910401938887 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.9935675868388119 Energy: 0.5725169772472758 Energy: 0.5750481584051762 Energy: 0.7664272273301348 Energy: 0.6151164668513233 Energy: 0.7666870610128323 Energy: 0.5553509239833825 Energy: 0.5645168094712735 Energy: 0.5644546092703396 Energy: 0.5608967410818894 Energy: 0.5563334378845506 Energy: 0.5619329307105532 Energy: 0.5563738001683114 Energy: 0.5630320441114214 Energy: 0.5632269716053482 Energy: 0.5570102073589183 Energy: 0.5583536966922559 Energy: 0.5632572781744279 Energy: 0.555651089280793 Energy: 0.5672706479870102 Energy: 0.5646636375865504 Energy: 0.5568045869379392 Energy: 0.558468788351041 Energy: 0.5606350611067137 Energy: 0.5556531014650246 Energy: 0.5643900628202982 Energy: 0.5859762276366091 Energy: 0.574657165959406 Energy: 0.5663343407720008 Energy: 0.5664146656232851 Energy: 0.6222131845442112 Energy: 0.5689143028145348 Energy: 0.5757655718070575 Energy: 0.5791884847534198 Energy: 0.5606575160617187 Energy: 0.5759569117615402 Energy: 0.6249443000111736 Energy: 0.5606357012215353 Energy: 0.560793833584975 Energy: 0.554972713663678 Energy: 0.5674992292770276 Energy: 0.5608593140461858 Energy: 0.5818015720320099 Energy: 0.5625505766840326 Energy: 0.5626641130003693 Energy: 0.5804095478723414 Energy: 0.5602647601295347 Energy: 0.5366566662437257 Energy: 0.6237188213103416 Energy: 0.5638034548814912 Energy: 0.5686914082360939 Energy: 0.580919066600467 Energy: 0.5657375503024785 Energy: 0.5789345728161464 Energy: 0.7623762343717194 Energy: 0.593657646837996 Energy: 0.5650737777368564 Energy: 0.5752442423609436 Energy: 0.5799346856349783 Energy: 0.5635940274374223 Energy: 0.6239398732077068 Energy: 0.5927552107112534 Energy: 0.5629927427885535 Energy: 0.5558699266961603 Energy: 0.5814867902589501 Energy: 0.5688085048426875 Energy: 0.7332323187956606 Energy: 0.5477421303729704 Energy: 0.5542384863644527 Energy: 0.5807941751107294 Energy: 0.5298802626708475 Energy: 0.5640837233431888 Energy: 0.5609916709144953 Energy: 0.5474405222244952 Energy: 0.5714648569366587 Energy: 0.5782008878455436 Energy: 0.5297758592810506 Energy: 0.5313527904285512 Energy: 0.559883158742834 Energy: 0.5782992930473264 Energy: 0.5641298791469923 Energy: 0.5626065580566185 Energy: 0.5806566364492105 Energy: 0.5713681376342777 Energy: 0.5823449599246965 Energy: 0.561727033780982 Energy: 0.5588451760109332 Energy: 0.5826325745337272 Energy: 0.5633038222340216 Energy: 0.5832944858807644 Energy: 0.5546633761448055 Energy: 0.5643826116966061 Energy: 0.561044076951825 Energy: 0.5679159679650461 Energy: 0.5560761675763387 Energy: 0.5604582281174876 Energy: 0.9467840105256912 Energy: 0.5960565312558743 Energy: 0.5655734946763464 Energy: 0.6897253015139773 Energy: 0.8465035271336864 Energy: 0.6907480974371846 Energy: 0.5766167711867872 Energy: 0.5613198740482499 Energy: 0.5700464370064373 Energy: 0.5608396943290979 Energy: 0.5754267371297016 Energy: 0.5712601699397453 Energy: 0.5550066790147081 Energy: 0.5615070302768441 Energy: 0.5615687408477589 Energy: 0.5562950539212462 Energy: 0.5579722475922343 Energy: 0.5609052189925736 Energy: 0.5558470282172879 Energy: 0.5577255211938776 Energy: 0.5628194755954858 Energy: 0.5570981816048198 Energy: 0.5578673260888328 Energy: 0.5622346298275847 Energy: 0.554932547508687 Energy: 0.5626463638226303 Energy: 0.5619820914562047 Energy: 0.5555305352665733 Energy: 0.5619124524764094 Energy: 0.5623842233092763 Energy: 0.6442018824445102 Energy: 0.5782351514918749 Energy: 0.5705807280414669 Energy: 0.643799537888 Energy: 0.5782215536680773 Energy: 0.6739792123400775 Energy: 0.6240654735956923 Energy: 0.5630476332822026 Energy: 0.5613453282641174 Energy: 0.5555400132014888 Energy: 0.5611708986547798 Energy: 0.5614037671636966 Energy: 0.5796008713159616 Energy: 0.585630431449103 Energy: 0.5560030510380792 Energy: 0.5799319377203921 Energy: 0.5584746531989687 Energy: 0.5369523536126953 Energy: 0.6250520308547991 Energy: 0.5603455823447756 Energy: 0.5610385272061086 Energy: 0.5728626124252792 Energy: 0.5608447617601838 Energy: 0.5614002162860151 Energy: 0.623850771638165 Energy: 0.5797260059317658 Energy: 0.5795651581773015 Energy: 0.5563802752746944 Energy: 0.5809526399594042 Energy: 0.5705073468792512 Energy: 0.7622427642945472 Energy: 0.5802248194612176 Energy: 0.5634128620911886 Energy: 0.5573166261084576 Energy: 0.5803435012734831 Energy: 0.5622290490709 Energy: 0.6228018634494131 Energy: 0.5539704306259406 Energy: 0.5895938828320758 Energy: 0.5796617656101145 Energy: 0.5476675308731837 Energy: 0.5906939392233244 Energy: 0.5608631996693001 Energy: 0.585677951918555 Energy: 0.5864326405676704 Energy: 0.5796266036706713 Energy: 0.5856635631035116 Energy: 0.5298308270269 Energy: 0.603109672090373 Energy: 0.5937075509416994 Energy: 0.5911042596859986 Energy: 0.6003847776448895 Energy: 0.593413713974453 Energy: 0.5897453839167384 Energy: 0.5608167419270175 Energy: 0.5567071024900827 Energy: 0.56859536653565 Energy: 0.5606535460314194 Energy: 0.5565979647677317 Energy: 0.5626812123648861 Energy: 0.554251765118615 Energy: 0.5570547200069229 Energy: 0.5614876534173628 Energy: 0.5629551098801892 Energy: 0.5561651004153823 Energy: 0.5636200493765856 Energy: 0.9469727766864363 Energy: 0.5813246707137916 Energy: 0.565463006085021 Energy: 0.5332713959130716 Energy: 0.5787496815211485 Energy: 0.5422944847545842 minimum gb energy = 0.5297758592810506 eV minimum distance = 2.70616898286469 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6911379445734227 Energy: 0.6331456637708783 Energy: 0.6260384766989412 Energy: 0.691635043295593 Energy: 0.6340149488318638 Energy: 0.6261110774789775 Energy: 0.6110196684818323 Energy: 0.5992884453833666 Energy: 0.606897764373994 Energy: 0.5977034927902263 Energy: 0.6110431884084536 Energy: 0.6064545872493534 Energy: 0.6104697518704096 Energy: 0.5954483361013171 Energy: 0.6086980112870324 Energy: 0.6114173679127155 Energy: 0.6015457346342612 Energy: 0.5954102190390604 Energy: 0.6101536763204088 Energy: 0.6044208610937326 Energy: 0.6019542432188972 Energy: 0.6106784567918311 Energy: 0.595142944618962 Energy: 0.5939730072554138 Energy: 0.611824333911491 Energy: 0.6012838044012283 Energy: 0.5881467015278006 Energy: 0.6123272675401129 Energy: 0.6096434298265518 Energy: 0.5885135178922885 Energy: 0.6229520232348795 Energy: 0.6000975342049613 Energy: 0.5876406538919955 Energy: 0.594630581505344 Energy: 0.618060065139034 Energy: 0.6115032045284639 Energy: 0.6428837673933576 Energy: 0.6065593262427906 Energy: 0.6057536986465969 Energy: 0.6096345578441488 Energy: 0.6034165988770012 Energy: 0.6025714363401651 Energy: 0.6897787171820075 Energy: 0.5995817666174124 Energy: 0.5762380101892575 Energy: 0.5746414670694765 Energy: 0.5977472321370433 Energy: 0.5765828196288255 Energy: 0.6410748341904938 Energy: 0.5759366441116228 Energy: 0.5885565879656561 Energy: 0.5849253580375708 Energy: 0.5755633930791153 Energy: 0.5992814686651018 Energy: 0.6446300816370765 Energy: 0.595314688640038 Energy: 0.5952941138690953 Energy: 0.6117700892575025 Energy: 0.5951732049484386 Energy: 0.5970185494300843 Energy: 0.6427530241369818 Energy: 0.6071585272172096 Energy: 0.6032288215126285 Energy: 0.6102505370235056 Energy: 0.6039641766575179 Energy: 0.6015436387913701 Energy: 0.6436947491226228 Energy: 0.5807125038521802 Energy: 0.5903233724758131 Energy: 0.6114761650198851 Energy: 0.57379618732233 Energy: 0.5909159747480283 Energy: 0.6558257799141389 Energy: 0.5711090608513335 Energy: 0.5707081923203233 Energy: 0.5928720666715803 Energy: 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0.6024544220672857 Energy: 0.5769423975618005 Energy: 0.5725958213315554 Energy: 0.5711591388676213 Energy: 0.5769484897127709 Energy: 0.6415819954379608 Energy: 0.5952877368012625 Energy: 0.5754915494743915 Energy: 0.6043809654953901 Energy: 0.5880511083539495 Energy: 0.5759893998693826 Energy: 0.605395333009614 Energy: 0.5879708554936336 Energy: 0.6007512534532413 Energy: 0.5981653997004399 Energy: 0.5950008162847263 Energy: 0.6010865320107508 Energy: 0.5967105118613847 Energy: 0.6439087578647813 Energy: 0.6094604008543283 Energy: 0.6060677741218767 Energy: 0.6050912582303661 Energy: 0.5760290227697739 Energy: 0.6098832568651221 Energy: 0.5910735575286544 Energy: 0.6873305960279886 Energy: 0.6017008110101745 Energy: 0.5760867526678474 Energy: 0.5897358764059909 Energy: 0.6912638698734128 Energy: 0.5710890418564853 Energy: 0.6405275764681231 Energy: 0.5986357510897085 Energy: 0.6087525473549052 Energy: 0.573454646634501 Energy: 0.6114391864389412 Energy: 0.6084871699183669 Energy: 0.608735708279471 Energy: 0.5949384706870946 Energy: 0.5965237812865055 Energy: 0.6111247242708601 Energy: 0.6117211260156427 Energy: 0.5956046876697072 Energy: 0.6100516527709791 Energy: 0.5949966784981049 Energy: 0.6021278568841095 Energy: 0.6127379012974797 Energy: 0.6116363880815393 Energy: 0.6026590785158283 Energy: 0.6108873685237811 Energy: 0.5878038304870127 Energy: 0.5882113935211764 Energy: 0.611187750069707 Energy: 0.6091442939694851 Energy: 0.6089302102811697 Energy: 0.665149823366037 Energy: 0.5898842411321149 Energy: 0.5794900877142148 Energy: 0.6636019794511798 Energy: 0.6003464912142158 Energy: 0.5796951949859265 Energy: 0.6416839669051229 Energy: 0.5874626491273189 Energy: 0.5878388944550957 Energy: 0.6097166678074519 Energy: 0.5783389283595214 Energy: 0.6037763484036575 Energy: 0.6904706227829942 Energy: 0.6414919726300561 Energy: 0.5764192007722581 Energy: 0.6899642562057169 Energy: 0.6725947921223222 Energy: 0.5765684963161658 Energy: 0.6417229686080147 Energy: 0.5763191419193255 Energy: 0.5878563542271992 Energy: 0.6100569444026016 Energy: 0.5786478083755484 Energy: 0.5880231701567574 Energy: 0.7040772662592925 Energy: 0.5968789581063907 Energy: 0.6071648946176492 Energy: 0.6122366998234989 Energy: 0.6134977628958869 Energy: 0.6033246830728479 Energy: 0.6431401872289467 Energy: 0.6064122742949304 Energy: 0.6066570394082234 Energy: 0.6115564475594453 Energy: 0.5805897402411008 Energy: 0.6028977756417809 Energy: 0.6418600600236104 Energy: 0.5806888109552719 Energy: 0.590272863497351 Energy: 0.6423137848082353 Energy: 0.5738406692698663 Energy: 0.5879687801145123 Energy: 0.655463532594466 Energy: 0.571172338669139 Energy: 0.571079692515063 Energy: 0.591641649333334 Energy: 0.5710655853915179 Energy: 0.5712736598534393 Energy: 0.6083048045495973 Energy: 0.5978533673535636 Energy: 0.6040539342052856 Energy: 0.6094297298592144 Energy: 0.5964145242793248 Energy: 0.6037877329705739 Energy: 0.5776415654448839 Energy: 0.6031037120379779 Energy: 0.6009349412070976 Energy: 0.5795740943965643 Energy: 0.5957330138472866 Energy: 0.6001264637833523 Energy: 0.6088058158559269 Energy: 0.612092639762763 Energy: 0.5944008179297445 Energy: 0.5981890687974386 Energy: 0.6100009616797974 Energy: 0.5936253308338499 Energy: 0.8942118735052961 Energy: 0.5982324853041854 Energy: 0.62124142424054 Energy: 0.6117886879910079 Energy: 0.5967210539344476 Energy: 0.5869179796451643 Energy: 0.7038370216529414 Energy: 0.5798218317046565 Energy: 0.5777151883878301 Energy: 0.609699653415132 Energy: 0.5815573353622181 Energy: 0.5772473156791178 Energy: 0.608452184793819 Energy: 0.5736702451545334 Energy: 0.5709990038068463 Energy: 0.5967055097643394 Energy: 0.6455227004666575 Energy: 0.5936674957700603 Energy: 0.6223008692885826 Energy: 0.572057239449625 Energy: 0.5816546915934264 Energy: 0.5959440997353332 Energy: 0.6406232769454843 Energy: 0.5816404177399108 Energy: 0.5761050779996851 Energy: 0.5882862799397383 Energy: 0.5878191779530796 Energy: 0.5751999650272884 Energy: 0.5782087119207935 Energy: 0.587982133158881 Energy: 0.5919735814456465 Energy: 0.5963212092656243 Energy: 0.599470280865709 Energy: 0.5918981817689479 Energy: 0.5971399130555893 Energy: 0.5794516305470396 Energy: 0.6089038227605319 Energy: 0.6057238012023118 Energy: 0.6030424248558723 Energy: 0.5903460951559721 Energy: 0.6090072575494163 Energy: 0.6035256468026181 Energy: 0.6441409892882564 Energy: 0.5775859438217751 Energy: 0.5717527643876167 Energy: 0.5756535923404265 Energy: 0.6948266415149185 Energy: 0.5711108925374491 minimum gb energy = 0.5707081923203233 eV minimum distance = 2.70010086098353 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.8166366856220478 Energy: 0.6560859253532869 Energy: 0.5906951156731228 Energy: 0.5892992998531131 Energy: 0.6556313691818364 Energy: 0.5912703713546777 Energy: 0.6590312303477035 Energy: 0.6238925263450383 Energy: 0.6224494505818264 Energy: 0.6292222788973533 Energy: 0.6329321650990644 Energy: 0.6223174533244994 Energy: 0.6607207290196258 Energy: 0.5699625513983002 Energy: 0.6084376610776149 Energy: 0.6202849220293885 Energy: 0.569923053937347 Energy: 0.6086399214286622 Energy: 0.6546746621780666 Energy: 0.6080546688853227 Energy: 0.607522200118023 Energy: 0.6300265135227642 Energy: 0.6105571373368923 Energy: 0.6079807896936715 Energy: 0.6446489052596788 Energy: 0.6225580170479018 Energy: 0.6222657541740904 Energy: 0.6451906405267412 Energy: 0.6235857134868746 Energy: 0.624582150490778 Energy: 0.6471717008272233 Energy: 0.5963200834909166 Energy: 0.6311549650818945 Energy: 0.6473328976934989 Energy: 0.5961538069470002 Energy: 0.6321120504709655 Energy: 0.7114606397869635 Energy: 0.6232824789550101 Energy: 0.6223520671901335 Energy: 0.5707555431282124 Energy: 0.6353429867541843 Energy: 0.6223368807708805 minimum gb energy = 0.569923053937347 eV minimum distance = 2.73523976602303 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 1.0968227171679312 Energy: 0.8190811014064976 Energy: 0.7441649446285433 Energy: 0.6958271636798261 Energy: 0.8174378726705278 Energy: 0.7449407940807945 Energy: 0.6520610559713744 Energy: 0.683320615707245 Energy: 0.6536781357132894 Energy: 0.6882152641246182 Energy: 0.7300672302721162 Energy: 0.6524769268274276 Energy: 0.7099491684028256 Energy: 0.6490352530155726 Energy: 0.6482879087695278 Energy: 0.7107006912157292 Energy: 0.6493234925796122 Energy: 0.6533497159875522 Energy: 0.6572908601577993 Energy: 0.6518836703042429 Energy: 0.6519247078122068 Energy: 0.6569191341631896 Energy: 0.6479189093397625 Energy: 0.6518459741368116 Energy: 0.6512083375447673 Energy: 0.6522516051637548 Energy: 0.6529138704289524 Energy: 0.6515937270918465 Energy: 0.6830903099664658 Energy: 0.6527824455576624 Energy: 0.6514867271410385 Energy: 0.6522723455931027 Energy: 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0.6890104274716871 minimum gb energy = 0.6361857495239277 eV minimum distance = 2.64194617469237 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.8216130700730642 Energy: 0.7509605166457498 Energy: 0.6931563485980659 Energy: 0.6439534864137754 Energy: 0.7510273611524443 Energy: 0.7542256208222033 Energy: 0.7303225255943782 Energy: 0.6665542686909688 Energy: 0.6670368666891316 Energy: 0.6485435376261385 Energy: 0.6669241062532774 Energy: 0.6336400647210517 Energy: 0.7303345088190152 Energy: 0.6414900551013342 Energy: 0.6412824721598314 Energy: 0.7190763975657861 Energy: 0.6414110462796176 Energy: 0.6411318265441015 Energy: 0.7283862896291916 Energy: 0.6407726860640981 Energy: 0.6404674848557992 Energy: 0.734990385986344 Energy: 0.6404268676963764 Energy: 0.6336845048538523 Energy: 0.7288585914325814 Energy: 0.6565954598999466 Energy: 0.663342617067523 Energy: 0.6338866381139588 Energy: 0.6564045645490217 Energy: 0.6357557829072087 Energy: 0.6403908381054805 Energy: 0.7132745372278229 Energy: 0.7246334432207437 Energy: 0.6342179414901618 Energy: 0.7246804706698156 Energy: 0.7281577050215516 Energy: 0.7471767781079146 Energy: 0.7229175779569975 Energy: 0.7235253959087136 Energy: 0.7084549869001241 Energy: 0.7253903398841596 Energy: 0.748939699012052 Energy: 0.6777957376898784 Energy: 0.7715661249208907 Energy: 0.7641296345825335 Energy: 0.6692469371581229 Energy: 0.7772314383864124 Energy: 0.7335032426371818 Energy: 0.7376166879798622 Energy: 0.7298001476150936 Energy: 0.7306644168289912 Energy: 0.7404594778944941 Energy: 0.7304752585309272 Energy: 0.7192866640570261 Energy: 0.8378990384485439 Energy: 0.6781712505702542 Energy: 0.6781740790104925 Energy: 0.8298075093559577 Energy: 0.6780347973390864 Energy: 0.6780476017729616 Energy: 0.7989096458409983 Energy: 0.6696720158372551 Energy: 0.7146599155290573 Energy: 0.7515285188934907 Energy: 0.709485367082697 Energy: 0.742801830166678 Energy: 0.6000031755450033 Energy: 0.7253337202662354 Energy: 0.724096657005981 Energy: 0.5999566156288603 Energy: 0.7440668627071994 Energy: 0.6781600060679625 Energy: 0.5996943613694171 Energy: 0.7282363509209683 Energy: 0.6839276548359301 Energy: 0.6008390596707514 Energy: 0.7486161588463913 Energy: 0.6834340334389993 Energy: 0.7001172563231315 Energy: 0.7241839395077162 Energy: 0.7140938818889841 Energy: 0.7512303101237894 Energy: 0.7596844014324651 Energy: 0.7150376975935204 Energy: 0.7359721806398929 Energy: 0.6421171260217277 Energy: 0.6791256529779126 Energy: 0.7347271011311869 Energy: 0.640490448374586 Energy: 0.6793108794971174 Energy: 0.7337247468322314 Energy: 0.7181140436955293 Energy: 0.7218592093824807 Energy: 0.7346075542278355 Energy: 0.7439387915875504 Energy: 0.7302629789834003 Energy: 0.7460948637029204 Energy: 0.7169833395617334 Energy: 0.7198992142860818 Energy: 0.7300800278150399 Energy: 0.717584518508488 Energy: 0.7184000685586486 Energy: 0.7469086750194857 Energy: 0.7244083589925777 Energy: 0.7128903389099304 Energy: 0.7201030599502958 Energy: 0.7242203235809341 Energy: 0.7117230969918898 Energy: 0.7324126448755187 Energy: 0.7284448519407759 Energy: 0.728231007671878 Energy: 0.6405133852195887 Energy: 0.7286241870679171 Energy: 0.7293364722524831 Energy: 0.7327203881412316 Energy: 0.7349466107086975 Energy: 0.6696412241184502 Energy: 0.6359729930059657 Energy: 0.6706574518548898 Energy: 0.7396165267360142 Energy: 0.7338714286990036 Energy: 0.6666772994850975 Energy: 0.6672866925102937 Energy: 0.7393304219582786 Energy: 0.6690632655917853 Energy: 0.650178749922775 Energy: 0.8326987111857533 Energy: 0.6773260379728018 Energy: 0.6988636764306149 Energy: 0.6397859812724745 Energy: 0.6775717591078411 Energy: 0.698444405949653 Energy: 0.7294751587815504 Energy: 0.667847109314221 Energy: 0.6670395609649855 Energy: 0.6487995950138727 Energy: 0.6685083533493483 Energy: 0.6333627578082456 Energy: 0.6402710648689268 Energy: 0.6714280173198626 Energy: 0.6842818961903551 Energy: 0.6007820711490117 Energy: 0.6719244913091895 Energy: 0.7454860696306266 minimum gb energy = 0.5996943613694171 eV minimum distance = 2.65619685812616 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.8105098121570249 Energy: 0.663397436269149 Energy: 0.7168745638039421 Energy: 0.6251524093535661 Energy: 0.6649030669399089 Energy: 0.6253365704295244 Energy: 0.7272690081921788 Energy: 0.668220559731074 Energy: 0.6353192682757273 Energy: 0.670831932441252 Energy: 0.669271708301021 Energy: 0.6356744713041625 Energy: 0.6682009139007484 Energy: 0.6008767290285717 Energy: 0.6018094772427106 Energy: 0.6668410498384126 Energy: 0.6012990723846313 Energy: 0.6016657609159669 Energy: 0.6675057697765782 Energy: 0.6017157999179412 Energy: 0.601598228885371 Energy: 0.6664318209246949 Energy: 0.6387016552714461 Energy: 0.6666466809621961 Energy: 0.5956865668634831 Energy: 0.5855924605290411 Energy: 0.5857475867402173 Energy: 0.5961279981317193 Energy: 0.5857763296550514 Energy: 0.5857444857100845 Energy: 0.6016987617383841 Energy: 0.5869522351907002 Energy: 0.585655574031126 Energy: 0.5642874709265427 Energy: 0.5863822207429281 Energy: 0.5745226982360454 Energy: 0.5859244708536244 Energy: 0.5843159937975864 Energy: 0.584861760967306 Energy: 0.5858430956901273 Energy: 0.5860318793897146 Energy: 0.6242274976206861 Energy: 0.5866040681289589 Energy: 0.6238340630113114 Energy: 0.6816366933593613 Energy: 0.6382501260693211 Energy: 0.6241014077247403 Energy: 0.6808061526632988 Energy: 0.5873677436939229 Energy: 0.6267610083700083 Energy: 0.6244950082756181 Energy: 0.5868375038317027 Energy: 0.5860767140233217 Energy: 0.5866337650012245 Energy: 0.5859302714469489 Energy: 0.5860956690530957 Energy: 0.6124363728849885 Energy: 0.5863829197440182 Energy: 0.5857495518135493 Energy: 0.611291195858082 Energy: 0.5857452096818819 Energy: 0.6365256347675343 Energy: 0.6128288192760134 Energy: 0.5852313622304272 Energy: 0.6688891943153953 Energy: 0.586214731476637 Energy: 0.6639064208511188 Energy: 0.6662880934772765 Energy: 0.6667131849585912 Energy: 0.6312604298269185 Energy: 0.6669965911489323 Energy: 0.6663295339707755 Energy: 0.6636503920641745 Energy: 0.6686699425965501 Energy: 0.6682494367527939 Energy: 0.5820402935374511 Energy: 0.6684007595028856 Energy: 0.6674663829485681 Energy: 0.6771713112270059 Energy: 0.670286039706664 Energy: 0.6350675294929536 Energy: 0.6776403643009316 Energy: 0.6701066370761706 Energy: 0.6352297861426458 Energy: 0.7429257085745478 Energy: 0.6637565605189804 Energy: 0.6640585384919342 Energy: 0.6629714940953466 Energy: 0.6638151020410101 Energy: 0.6663871753118235 Energy: 0.7045870749454407 Energy: 0.7078886720580511 Energy: 0.6351700877573816 Energy: 0.677958889127976 Energy: 0.6776380745408097 Energy: 0.668307151694303 Energy: 0.6570779913120922 Energy: 0.667402428186515 Energy: 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0.5760425462763393 Energy: 0.5757911953760603 Energy: 0.58660786044497 Energy: 0.578492360426851 Energy: 0.576679271195619 Energy: 0.6067840169711148 Energy: 0.5763131964487958 Energy: 0.544262737601588 Energy: 0.546511951380067 Energy: 0.576061746549232 Energy: 0.5439160531440426 Energy: 0.5350117939180257 Energy: 0.5770505202674949 Energy: 0.576094642580614 Energy: 0.5585251186405035 Energy: 0.577730360750604 Energy: 0.5892231606647496 Energy: 0.5362907280234716 Energy: 0.5251236253369171 Energy: 0.5359582825209182 Energy: 0.5371860073286302 Energy: 0.566808374609081 Energy: 0.5356308211496028 Energy: 0.5356806932158231 Energy: 0.5806432735950843 Energy: 0.5348377695992851 Energy: 0.5363259050730118 Energy: 0.5762717604581973 Energy: 0.5358201503849276 Energy: 0.5362163987962123 Energy: 0.5516805256773387 Energy: 0.6089223618429568 Energy: 0.5363479013765153 Energy: 0.5841249170743703 Energy: 0.5787214082912219 Energy: 0.5362588666568834 Energy: 0.5351474320134497 Energy: 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0.6681636170536336 Energy: 0.7232486998503581 Energy: 0.7694555569721114 Energy: 0.6002557177260535 Energy: 0.665247412128771 Energy: 0.6670240252609905 Energy: 0.5432851080270618 Energy: 0.6656628017086234 Energy: 0.6651267524377757 Energy: 0.5428405119196633 Energy: 0.6074746037882832 Energy: 0.6655859058040001 Energy: 0.5424059144244842 Energy: 0.6070329510058063 Energy: 0.5892559202155585 Energy: 0.5773307690741255 Energy: 0.5764913204228682 Energy: 0.5877921577903257 Energy: 0.577237506683266 Energy: 0.607562573548847 Energy: 0.606899678612793 Energy: 0.5764966274858062 Energy: 0.5763990426024949 Energy: 0.546235649012702 Energy: 0.5766898752715038 Energy: 0.5438504058445726 Energy: 0.5758271191807787 Energy: 0.5776396765648266 Energy: 0.5773608218990937 Energy: 0.5763103255380029 Energy: 0.577123567902163 Energy: 0.5767969569167628 Energy: 0.6060603332345328 Energy: 0.5598955801557607 Energy: 0.6006069482571932 Energy: 0.5380089648759311 Energy: 0.5763821683429378 Energy: 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0.6290612502308958 Energy: 0.6332388127862555 Energy: 0.6680356100551558 Energy: 0.5856415805162916 Energy: 0.6657997729919544 Energy: 0.5472858691056842 Energy: 0.665516446305422 Energy: 0.665632664387473 Energy: 0.5427149311794283 Energy: 0.6676583933685322 Energy: 0.634258129648542 minimum gb energy = 0.5251236253369171 eV minimum distance = 2.66241587026765 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5029929180640946 Energy: 0.6640474285997576 Energy: 0.6245328920540146 Energy: 0.5375225514067182 Energy: 0.8453781901428368 Energy: 0.6348528233342949 Energy: 0.6854182684825867 Energy: 0.5707285075413085 Energy: 0.5693726769516546 Energy: 0.6548165651374408 Energy: 0.5733222234382939 Energy: 0.619808459856381 Energy: 0.737421987840821 Energy: 0.5351482838288565 Energy: 0.5348166657610884 Energy: 0.6577826423723058 Energy: 0.5506968815126764 Energy: 0.5987894720135326 Energy: 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0.5448658138006752 Energy: 0.5744284715813602 Energy: 0.5187869133169745 Energy: 0.5022164037945792 Energy: 0.5757084821312688 Energy: 0.4998314014866838 Energy: 0.49488436876096376 Energy: 0.4956384285411634 Energy: 0.5654030205138904 Energy: 0.49648162515603095 Energy: 0.5687704569787521 Energy: 0.5209176383921024 Energy: 0.4961995928643075 Energy: 0.49572779015020196 Energy: 0.5462850306432883 Energy: 0.49913861544769417 Energy: 0.5370721946121557 Energy: 0.4945257790808205 Energy: 0.5451228702328071 Energy: 0.5736916583430551 Energy: 0.570230675620697 Energy: 0.5428704850492175 Energy: 0.5748103137855399 Energy: 0.49640505237528615 Energy: 0.5721517576669471 Energy: 0.4957078173135119 Energy: 0.49774065457707883 Energy: 0.5426912331308759 Energy: 0.49572646665545683 Energy: 0.49510254772217765 Energy: 0.5455755358998019 Energy: 0.5775222430787632 Energy: 0.49471894853322546 Energy: 0.5766450394328215 Energy: 0.5754672880472694 Energy: 0.5281842266372381 Energy: 0.5180800166561688 Energy: 0.5879872225492029 Energy: 0.5426174567276163 Energy: 0.5187066850614439 Energy: 0.5700343273636489 Energy: 0.530968123625625 Energy: 0.51929721489278 Energy: 0.5188944981338628 Energy: 0.5689281293820108 Energy: 0.519627317843359 Energy: 0.518748058987025 Energy: 0.49822039933579454 Energy: 0.5198664751969457 Energy: 0.554474585525439 Energy: 0.5309106194353802 Energy: 0.5226651679260191 Energy: 0.553451760920631 Energy: 0.567426897399996 Energy: 0.5642035871487937 Energy: 0.557480484465724 Energy: 0.5680634623569105 Energy: 0.5305267667723437 Energy: 0.5678670471315347 Energy: 0.5673907198217488 Energy: 0.5560217020925576 Energy: 0.522324789014179 Energy: 0.5681658388373514 Energy: 0.5451522528006125 Energy: 0.5755413673676738 Energy: 0.701063802930485 Energy: 0.5695685581105236 Energy: 0.5861038539895982 Energy: 0.5687418705505056 Energy: 0.5731240057209099 Energy: 0.5858910823275089 Energy: 0.5574955997337884 Energy: 0.6522199594346044 Energy: 0.567128294482831 Energy: 0.5392194619793028 Energy: 0.65281445844243 Energy: 0.5670455277412209 Energy: 0.5211193773434027 Energy: 0.6566858859263816 Energy: 0.65198434531132 Energy: 0.5231845738966354 Energy: 0.6538956677259486 Energy: 0.6527243134628643 Energy: 0.6962228359178569 Energy: 0.5665724838488937 Energy: 0.5816937642252693 Energy: 0.5718765835233699 Energy: 0.5926694591260192 Energy: 0.5728240699469609 Energy: 0.7410972901454191 Energy: 0.5667012258106728 Energy: 0.5666895930802118 Energy: 0.6507984220953014 Energy: 0.5673194281620723 Energy: 0.646761000413988 Energy: 0.742725879416396 Energy: 0.6513898931742353 Energy: 0.6503685859505581 Energy: 0.6541653718593907 Energy: 0.6554389220317206 Energy: 0.6191018492609734 Energy: 0.615998729162952 Energy: 0.6565622034572985 Energy: 0.5979522344943192 Energy: 0.5345068401200177 Energy: 0.6511721354666302 Energy: 0.5981952150927397 minimum gb energy = 0.4945257790808205 eV minimum distance = 2.66197326927404 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.4413816898774317 Energy: 0.7239822724898058 Energy: 0.5854571821080349 Energy: 0.4713892274265933 Energy: 0.607871030677612 Energy: 0.5455241645206805 Energy: 0.6130762459306989 Energy: 0.5270238049784394 Energy: 0.5267084785895814 Energy: 0.5765545443823434 Energy: 0.5275688046206715 Energy: 0.5229586911267129 Energy: 0.6549377280701847 Energy: 0.5078466192813826 Energy: 0.501350657584105 Energy: 0.5893778086469982 Energy: 0.5078501012798232 Energy: 0.49643141987271183 Energy: 0.5804492896367138 Energy: 0.5131624543502941 Energy: 0.4966092505172638 Energy: 0.5266483463796331 Energy: 0.48729567917959116 Energy: 0.5489920481200324 Energy: 0.524687584994424 Energy: 0.5238444199231085 Energy: 0.528678788535895 Energy: 0.5255894512172171 Energy: 0.5261979692073598 Energy: 0.520907894811812 Energy: 0.4843695484339674 Energy: 0.5236570214498887 Energy: 0.4971733498850978 Energy: 0.5033280300282407 Energy: 0.5234655250461075 Energy: 0.47370092026610416 Energy: 0.6009759277185184 Energy: 0.5232474763344214 Energy: 0.5234307161006476 Energy: 0.48267516708664765 Energy: 0.5238920126632531 Energy: 0.5000075634146094 Energy: 0.6009884552965972 Energy: 0.48936488123957317 Energy: 0.4991330726700378 Energy: 0.4804606170284187 Energy: 0.49353840889010403 Energy: 0.49888328093267614 Energy: 0.48299089803243733 Energy: 0.4818643788629028 Energy: 0.47998128495108977 Energy: 0.48030374544875826 Energy: 0.43823192419801155 Energy: 0.4794202731100443 Energy: 0.48026262765274264 Energy: 0.45140142427413144 Energy: 0.4916921573694732 Energy: 0.4801496233085438 Energy: 0.45235213900364174 Energy: 0.49176755850311177 Energy: 0.4223254560847944 Energy: 0.45044935481772835 Energy: 0.45109273311672615 Energy: 0.48808672928209856 Energy: 0.4508065347153173 Energy: 0.48557230558132075 Energy: 0.48012748135757705 Energy: 0.450834012908542 Energy: 0.45052886317824603 Energy: 0.46537283209834607 Energy: 0.4510349116298284 Energy: 0.48774343947441234 Energy: 0.43300209284695085 Energy: 0.48206100411838715 Energy: 0.4828219768240946 Energy: 0.463987028516462 Energy: 0.4818807947026443 Energy: 0.4826702176542463 Energy: 0.43335293007773795 Energy: 0.4339226890726664 Energy: 0.43295238195783986 Energy: 0.43469883519627717 Energy: 0.42447915176592677 Energy: 0.43324463944173486 Energy: 0.4333462970268805 Energy: 0.4793503257079068 Energy: 0.4790951672344063 Energy: 0.4331698310396659 Energy: 0.4592582140663184 Energy: 0.4791670030474972 Energy: 0.4278731423240271 Energy: 0.4250191718922249 Energy: 0.4246667017102115 Energy: 0.47900613914469753 Energy: 0.42536616286725987 Energy: 0.47950184094470455 Energy: 0.43676466085188426 Energy: 0.42501360153426837 Energy: 0.42436989523857793 Energy: 0.48860764492489117 Energy: 0.4252658990069654 Energy: 0.4811740755594406 Energy: 0.42397334509933593 Energy: 0.4805707844025816 Energy: 0.4814615480048076 Energy: 0.4252540124016908 Energy: 0.49263504404490827 Energy: 0.4806318595125961 Energy: 0.42473256263136044 Energy: 0.42551754150355114 Energy: 0.42448082978440604 Energy: 0.4259047047181011 Energy: 0.5187701801996722 Energy: 0.4250542948767189 Energy: 0.42458559144407043 Energy: 0.49059575863178 Energy: 0.49076878789983364 Energy: 0.4251279806948051 Energy: 0.49180990578501016 Energy: 0.4853677894387762 Energy: 0.4535986437056333 Energy: 0.4332053544899557 Energy: 0.4335208103950183 Energy: 0.49509054671316327 Energy: 0.4331654748261813 Energy: 0.4855396736768385 Energy: 0.42858982455982547 Energy: 0.4329999214004051 Energy: 0.4327699455039005 Energy: 0.4825132181848481 Energy: 0.4331166592254256 Energy: 0.4826582677074718 Energy: 0.45166627876238646 Energy: 0.4637624581511645 Energy: 0.4823613045443521 Energy: 0.45075282991604143 Energy: 0.4337110651313642 Energy: 0.4823476920884563 Energy: 0.4512080518714239 Energy: 0.4517806159511531 Energy: 0.45072945346009136 Energy: 0.45264433536031917 Energy: 0.4333722551308172 Energy: 0.4503701758246828 Energy: 0.584349134039194 Energy: 0.48423791843295433 Energy: 0.49156094453668164 Energy: 0.4518918683453791 Energy: 0.4857397491739648 Energy: 0.4912277686581795 Energy: 0.5455621541018745 Energy: 0.4796041142219416 Energy: 0.47946863772999426 Energy: 0.45120842186754073 Energy: 0.4802480378773751 Energy: 0.49098610758196504 Energy: 0.4244546616373859 Energy: 0.47946143956988296 Energy: 0.4799246471615825 Energy: 0.4929502557080172 Energy: 0.47955607809869033 Energy: 0.49403768796773534 Energy: 0.45109130777080136 Energy: 0.4806964285277364 Energy: 0.5000106214802053 Energy: 0.49855549350528305 Energy: 0.4805463534690966 Energy: 0.5122426375837748 Energy: 0.5260974034474226 Energy: 0.47894601223457584 Energy: 0.5237628935840304 Energy: 0.5246025614011772 Energy: 0.45021258342745096 Energy: 0.5234471190560104 Energy: 0.6274224124732811 Energy: 0.5014894861715842 Energy: 0.4955219338657855 Energy: 0.5241863539012592 Energy: 0.5009522954061496 Energy: 0.50097760069002 Energy: 0.6231654417687447 Energy: 0.5269642042393502 Energy: 0.5290893979025187 Energy: 0.5241928241456872 Energy: 0.5274939452350069 Energy: 0.524131831036485 Energy: 0.4970925585232329 Energy: 0.5846872957924385 Energy: 0.5231555495155991 Energy: 0.4617903956671672 Energy: 0.5897837977036766 Energy: 0.4902345773802206 Energy: 0.5787006344763329 Energy: 0.5788108817247305 Energy: 0.5770338039875005 Energy: 0.5226848726060765 Energy: 0.5912341343717571 Energy: 0.561866159283769 Energy: 0.6224236706697646 Energy: 0.5231387446412916 Energy: 0.5228324800078487 Energy: 0.5264446308149306 Energy: 0.48010866688540693 Energy: 0.5882961000990136 Energy: 0.6559471804370346 Energy: 0.5052257490193751 Energy: 0.5277155702426135 Energy: 0.5898758837542931 Energy: 0.5050483112463722 Energy: 0.5234592856482984 Energy: 0.6129616452482474 Energy: 0.5786837746199507 Energy: 0.5723087814609935 Energy: 0.5766226428894863 Energy: 0.5914557826584833 Energy: 0.565969219230952 minimum gb energy = 0.4223254560847944 eV minimum distance = 2.69746026983651 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.050051141212563585 Energy: 0.0544907851331461 Energy: 0.05042689927358075 Energy: 0.05007559639104847 Energy: 0.0547674612982736 Energy: 0.05063353039289749 Energy: 0.09253493940907473 Energy: 0.054505288919786204 Energy: 0.0547919225157713 Energy: 0.09262687166754234 Energy: 0.05574941580923188 Energy: 0.0549783244403959 Energy: 0.09216465139365157 Energy: 0.05044627677062524 Energy: 0.050654018553614275 Energy: 0.09228895611886818 Energy: 0.050348969794309126 Energy: 0.08844822085141532 Energy: 0.05709584584179739 Energy: 0.05028639883671393 Energy: 0.05116830462182021 Energy: 0.055311366904616674 Energy: 0.05039629185588118 Energy: 0.08962391112392885 Energy: 0.08907165275294979 Energy: 0.09172445909917279 Energy: 0.09163710641390105 Energy: 0.08849445976580479 Energy: 0.09218099058122249 Energy: 0.09199878344251089 Energy: 0.05097510232535485 Energy: 0.05466300683026187 Energy: 0.050484091367623385 Energy: 0.050146418406686405 Energy: 0.05483946327288263 Energy: 0.05040368135444899 Energy: 0.09248254047922835 Energy: 0.05465737730577078 Energy: 0.05501546360339384 Energy: 0.09260863414314568 Energy: 0.05448687914093878 Energy: 0.055152092465635905 Energy: 0.09239224662636852 Energy: 0.05034546894123255 Energy: 0.05049754736181212 Energy: 0.09203894800447496 Energy: 0.05020391495760817 Energy: 0.050846763869307345 Energy: 0.056286707793029724 Energy: 0.05014498074467595 Energy: 0.050418098486116995 Energy: 0.05727431987387672 Energy: 0.05033092047070572 Energy: 0.09023362178360544 Energy: 0.05065552943995843 Energy: 0.09207180479789578 Energy: 0.09236853087383283 Energy: 0.05137879526744642 Energy: 0.0921036852424691 Energy: 0.13375389517002126 minimum gb energy = 0.050051141212563585 eV minimum distance = 2.80478172344516 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.6042764032854004 Energy: 0.5684505264215658 Energy: 0.552135634786248 Energy: 0.5006444912785082 Energy: 0.5676574894360398 Energy: 0.5143463999249278 Energy: 0.5747020618025196 Energy: 0.5630681410761305 Energy: 0.5643576671557727 Energy: 0.5645790315738826 Energy: 0.5636460509410715 Energy: 0.5618617753468161 Energy: 0.5780359502577689 Energy: 0.523495421285473 Energy: 0.514355725787067 Energy: 0.562430917159728 Energy: 0.5358963044703084 Energy: 0.5622587165082319 Energy: 0.5252846126778936 Energy: 0.5357751083674037 Energy: 0.5358925385685199 Energy: 0.5251973371880345 Energy: 0.4677309508118234 Energy: 0.5591144336987259 Energy: 0.4736223826949385 Energy: 0.5653608280256598 Energy: 0.5688224900961464 Energy: 0.4735898118497105 Energy: 0.5666957649820901 Energy: 0.5663614941444778 Energy: 0.43719042826244997 Energy: 0.5719686800786536 Energy: 0.5166205681851399 Energy: 0.437420367910639 Energy: 0.5206140632628192 Energy: 0.46923870728875994 Energy: 0.5238513802794261 Energy: 0.480621423714489 Energy: 0.4808510484947263 Energy: 0.5299955594854644 Energy: 0.48025650084142324 Energy: 0.5271934624483023 Energy: 0.5238267448957971 Energy: 0.4414101035946295 Energy: 0.4767993876460904 Energy: 0.5243247786007473 Energy: 0.41615776679536565 Energy: 0.47716591447696827 Energy: 0.4925718645592251 Energy: 0.5273054018993936 Energy: 0.5475964024661022 Energy: 0.546955449468868 Energy: 0.44085562999441136 Energy: 0.5484676168990601 Energy: 0.44517778455799906 Energy: 0.48177329368917715 Energy: 0.48131064539580326 Energy: 0.44530331771045517 Energy: 0.4834333671708506 Energy: 0.482490747981469 Energy: 0.41989113342626483 Energy: 0.4465327889206137 Energy: 0.4827268178569062 Energy: 0.4193117549802451 Energy: 0.4224159970630156 Energy: 0.44293576575892696 Energy: 0.4453652174683135 Energy: 0.5347287812610342 Energy: 0.44835986906776837 Energy: 0.4454580297447276 Energy: 0.5003867812909256 Energy: 0.4455638133973667 Energy: 0.4473540534580376 Energy: 0.4082879510405295 Energy: 0.4473083148863808 Energy: 0.44834198448355833 Energy: 0.40750727314961244 Energy: 0.44794546961078596 Energy: 0.41117688645710615 Energy: 0.42283602985387747 Energy: 0.5139516585268911 Energy: 0.4487071429877698 Energy: 0.42240361774888163 Energy: 0.5138416456184041 Energy: 0.41176247915983005 Energy: 0.4227339238728104 Energy: 0.4225603417413893 Energy: 0.41142908714856413 Energy: 0.4240803252519942 Energy: 0.42240691214257775 Energy: 0.41457399549871515 Energy: 0.4232227713852356 Energy: 0.42319376925303914 Energy: 0.41064155836612354 Energy: 0.5217217516061334 Energy: 0.42347378336559366 Energy: 0.41046811185848275 Energy: 0.42286535297637085 Energy: 0.41067513075530515 Energy: 0.41058395685204646 Energy: 0.42396818367110656 Energy: 0.4114569109618997 Energy: 0.4110124837171084 Energy: 0.4404359894486473 Energy: 0.41177903402245386 Energy: 0.41143853900852045 Energy: 0.41111456995125345 Energy: 0.41202497140212413 Energy: 0.42309428090759615 Energy: 0.4115297108792861 Energy: 0.4119287549821019 Energy: 0.4112665871894347 Energy: 0.41139802201735387 Energy: 0.43007903905647443 Energy: 0.41080734438663785 Energy: 0.4114172070334703 Energy: 0.41092470825332533 Energy: 0.41185162937619013 Energy: 0.4112718600383488 Energy: 0.410854387690463 Energy: 0.4114810401565261 Energy: 0.42446487430270774 Energy: 0.4233201682244992 Energy: 0.5240137082871072 Energy: 0.4235685548709892 Energy: 0.4242419946274771 Energy: 0.4312429488062354 Energy: 0.4418091233863622 Energy: 0.4236990971109838 Energy: 0.4231305777745728 Energy: 0.42451736797235856 Energy: 0.4233439861625181 Energy: 0.42187474496445243 Energy: 0.5151115509703136 Energy: 0.5150438515679933 Energy: 0.42197300083718553 Energy: 0.4473967919597899 Energy: 0.5148197421663292 Energy: 0.41255266920016437 Energy: 0.4470121106036383 Energy: 0.4478726792259965 Energy: 0.4491672958279667 Energy: 0.4460813591138976 Energy: 0.4504918367809568 Energy: 0.42263349391976934 Energy: 0.4457423507234623 Energy: 0.4455348359248724 Energy: 0.42385083418700875 Energy: 0.44587400358278356 Energy: 0.4456229625025076 Energy: 0.42231509828236125 Energy: 0.4291382286973929 Energy: 0.461374104696271 Energy: 0.44652324585362396 Energy: 0.4453550832050098 Energy: 0.4832691595787004 Energy: 0.4831249689055021 Energy: 0.4602876388660547 Energy: 0.45967481132942206 Energy: 0.48298747914232304 Energy: 0.4287808580902392 Energy: 0.48174636425429274 Energy: 0.4569146709425013 Energy: 0.5015923481414923 Energy: 0.49953403962055154 Energy: 0.45699044777852327 Energy: 0.5016349261274388 Energy: 0.5475095564782251 Energy: 0.42486091749187027 Energy: 0.5236899224664517 Energy: 0.4986987170417769 Energy: 0.42600169256980336 Energy: 0.522787776639027 Energy: 0.4543895790094673 Energy: 0.4801133824387788 Energy: 0.5298339561151548 Energy: 0.5261656086041516 Energy: 0.4801811568641076 Energy: 0.5251862456484062 Energy: 0.5484129913664267 Energy: 0.5282726488521321 Energy: 0.4530360082067609 Energy: 0.49277894844713094 Energy: 0.528006916314297 Energy: 0.4225366029637384 Energy: 0.49200955111246797 Energy: 0.580365404052404 Energy: 0.5304239171995341 Energy: 0.5502002587494642 Energy: 0.5662604227492051 Energy: 0.45247936079856954 Energy: 0.5278737570849963 Energy: 0.48941149749576424 Energy: 0.5243297504069575 Energy: 0.5240261942979562 Energy: 0.4894705026502584 Energy: 0.5260545688789727 Energy: 0.5365996837453739 minimum gb energy = 0.40750727314961244 eV minimum distance = 2.65186644958677 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.8171143606217492 Energy: 0.6567174552176244 Energy: 0.6405468882650038 Energy: 0.5221837667476018 Energy: 0.6544381712520764 Energy: 0.6399672850050856 Energy: 0.6679909237833609 Energy: 0.6445315990853324 Energy: 0.6439818131782203 Energy: 0.6466422080435926 Energy: 0.6469053999601769 Energy: 0.6430377024185308 Energy: 0.6559715770126429 Energy: 0.5851510339973666 Energy: 0.6276898058009209 Energy: 0.6452566104453447 Energy: 0.585671546487327 Energy: 0.6393529815280213 Energy: 0.596145156912272 Energy: 0.639820532257406 Energy: 0.6403352860199459 Energy: 0.597135965794617 Energy: 0.5322545755834066 Energy: 0.6404834052867023 Energy: 0.591310362156437 Energy: 0.6440457369416018 Energy: 0.6426290098789629 Energy: 0.5912543678332458 Energy: 0.6470439454397268 Energy: 0.6437760487757593 Energy: 0.5081823860703286 Energy: 0.6454954912125488 Energy: 0.6175062664004872 Energy: 0.5388573236159581 Energy: 0.6449078511391416 Energy: 0.5902558039808169 Energy: 0.5942436271859708 Energy: 0.5949882324089846 Energy: 0.5926992840635188 Energy: 0.5944609213196014 Energy: 0.5430288515549612 Energy: 0.5927425012714548 Energy: 0.6095280217611881 Energy: 0.5043613935787751 Energy: 0.5346302229546097 Energy: 0.6007407696735182 Energy: 0.5078161485037935 Energy: 0.5946054792586862 Energy: 0.6197493333338504 Energy: 0.6203327622183822 Energy: 0.6205965165385335 Energy: 0.6222360830499262 Energy: 0.5386441690292963 Energy: 0.6218226617189903 Energy: 0.5076813900014773 Energy: 0.538816139185269 Energy: 0.5389432272561184 Energy: 0.510250661758263 Energy: 0.5385613795084635 Energy: 0.5386367213880878 Energy: 0.5107394838886328 Energy: 0.5682368067926856 Energy: 0.5373960851609861 Energy: 0.5088973784976224 Energy: 0.5393765242279535 Energy: 0.5373446569914745 Energy: 0.5128938843814809 Energy: 0.5688769779729682 Energy: 0.5090500176139435 Energy: 0.5115023657863648 Energy: 0.5657373653326664 Energy: 0.5100210541089513 Energy: 0.5139751153701341 Energy: 0.5063728020975823 Energy: 0.5099937545318362 Energy: 0.5120022841119536 Energy: 0.5111275506311115 Energy: 0.5100831756345485 Energy: 0.5348965418669355 Energy: 0.5249415252847868 Energy: 0.5088314102849576 Energy: 0.5092990409954039 Energy: 0.5102559138319397 Energy: 0.5073759867001382 Energy: 0.5644200081719194 Energy: 0.5087247713869091 Energy: 0.5077125009889686 Energy: 0.5639491651977083 Energy: 0.50832611350444 Energy: 0.5073195198525016 Energy: 0.5094479745962747 Energy: 0.5687278875764095 Energy: 0.5111008369589578 Energy: 0.5654907450056341 Energy: 0.5074541868380894 Energy: 0.5649164957453204 Energy: 0.5470157287127942 Energy: 0.49704214116295087 Energy: 0.525028408532432 Energy: 0.5444042729815206 Energy: 0.5008624009407521 Energy: 0.5398175455872425 Energy: 0.5395472272067527 Energy: 0.6212854728282946 Energy: 0.6238064408979286 Energy: 0.539533326365621 Energy: 0.5687116580728437 Energy: 0.5395126696537199 Energy: 0.4982217162732666 Energy: 0.6210407711699798 Energy: 0.5848629250070808 Energy: 0.5186403790492898 Energy: 0.6227976676004818 Energy: 0.559249057366288 Energy: 0.5377909173455758 Energy: 0.5942887139261412 Energy: 0.5946781407531503 Energy: 0.5374265847537841 Energy: 0.5956224096457506 Energy: 0.5943543633343349 Energy: 0.5977971076566885 Energy: 0.610207499675821 Energy: 0.623083528682428 Energy: 0.5965942006185074 Energy: 0.511273384035277 Energy: 0.6223854535558792 Energy: 0.6555364012214709 Energy: 0.5111036163371215 Energy: 0.6219388617011344 Energy: 0.6452386151346353 Energy: 0.5143628260651311 Energy: 0.6246472264600318 Energy: 0.6222663493726777 Energy: 0.5938060642149707 Energy: 0.5928666741062837 Energy: 0.6240288043833908 Energy: 0.5973013279914495 Energy: 0.5934804247116492 minimum gb energy = 0.49704214116295087 eV minimum distance = 2.65033583587857 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.9250249571802857 Energy: 0.6789415611818989 Energy: 0.7534119600359249 Energy: 0.5920371197709668 Energy: 0.6803334484506413 Energy: 0.6873546550158417 Energy: 0.7293633762781898 Energy: 0.6950353526924979 Energy: 0.6946760008948103 Energy: 0.695809803703463 Energy: 0.6976572054649697 Energy: 0.6951047322423124 Energy: 0.7292798786903798 Energy: 0.6390191918342331 Energy: 0.6719685580092106 Energy: 0.6992118180815536 Energy: 0.6710207408523207 Energy: 0.6881817263244585 Energy: 0.6954662207720398 Energy: 0.6712881754881022 Energy: 0.6838196903642675 Energy: 0.6956708227935996 Energy: 0.6277809003514941 Energy: 0.6831015891533151 Energy: 0.6350980303088055 Energy: 0.6960333758771491 Energy: 0.6943531377389408 Energy: 0.6349506609068925 Energy: 0.6976405390672937 Energy: 0.6747178527614365 Energy: 0.574708348762007 Energy: 0.583459562896385 Energy: 0.7012254461092112 Energy: 0.5781428260384005 Energy: 0.5831087015012747 Energy: 0.6290131740843878 Energy: 0.6349242301430571 Energy: 0.6334561521067541 Energy: 0.6317034125589852 Energy: 0.6349458832693978 Energy: 0.6361554754055749 Energy: 0.6341033559486604 Energy: 0.6401854228925068 Energy: 0.5795577210559505 Energy: 0.6132765817652837 Energy: 0.6389776057192798 Energy: 0.5796009506655007 Energy: 0.6382814047653278 Energy: 0.6683911917131768 Energy: 0.6376393270579838 Energy: 0.6385134225998909 Energy: 0.5850433497173858 Energy: 0.5778033006172719 Energy: 0.6379729314899871 Energy: 0.6210520523492337 Energy: 0.5787848248073573 Energy: 0.5789686162700936 Energy: 0.6218788983721351 Energy: 0.5803573922347778 Energy: 0.5808591392750143 Energy: 0.6155340115248623 Energy: 0.5900201880722927 Energy: 0.580253020833733 Energy: 0.5815524711011316 Energy: 0.5800244440249699 Energy: 0.5846977423280901 Energy: 0.5808942294088935 Energy: 0.5863221131692672 Energy: 0.5791561186527101 Energy: 0.5789821383148774 Energy: 0.5912860251659001 Energy: 0.5792991940397503 Energy: 0.5780164160597158 Energy: 0.6361830577832753 Energy: 0.5786356816055975 Energy: 0.577841687362791 Energy: 0.6342833228793886 Energy: 0.5785663668547254 Energy: 0.5602974310189601 Energy: 0.5864344582880895 Energy: 0.635410333418953 Energy: 0.5638246370589092 Energy: 0.6564714430331324 Energy: 0.5933371953887592 Energy: 0.5607543885319175 Energy: 0.6347544298695194 Energy: 0.6342627712904576 Energy: 0.561447941287225 Energy: 0.6363077448419061 Energy: 0.6134419020658081 Energy: 0.6342148722826605 Energy: 0.6665279253598999 Energy: 0.6686563082314401 Energy: 0.6357640563956595 Energy: 0.5910015467300487 Energy: 0.6346646356013297 Energy: 0.7260424974998574 Energy: 0.5917327400603571 Energy: 0.5916908938966996 Energy: 0.6942837203816475 Energy: 0.5913399982271953 Energy: 0.6195915637264648 Energy: 0.7280016601887407 Energy: 0.6344657603400282 Energy: 0.6345762781172578 Energy: 0.696735516618358 Energy: 0.6347984301301438 Energy: 0.6881320602790901 Energy: 0.5884958587336189 Energy: 0.6345286900772269 Energy: 0.7063450798697783 Energy: 0.5889237839948716 Energy: 0.6343310429890805 Energy: 0.6783805367660869 Energy: 0.6715025027231035 Energy: 0.6951881796736041 Energy: 0.6945482965824648 Energy: 0.6715811525647809 Energy: 0.6981485955630532 Energy: 0.6932678941285504 Energy: 0.727591095420414 Energy: 0.6722815818417657 Energy: 0.672073857979176 Energy: 0.6961622488874408 Energy: 0.6318260842155072 Energy: 0.6882170972929305 Energy: 0.6953846088542872 Energy: 0.6370847350646281 Energy: 0.671820948401328 Energy: 0.6954353875921201 Energy: 0.6706641650902514 Energy: 0.6837742594732839 Energy: 0.6350029422994226 Energy: 0.6962163163401287 Energy: 0.6931747652761936 Energy: 0.6350453740088454 Energy: 0.6971777233147375 Energy: 0.7011767548222253 Energy: 0.574739113936496 Energy: 0.6507151626022076 Energy: 0.6495101534482774 Energy: 0.6106740583974019 Energy: 0.6502120448301867 Energy: 0.6440156368964509 Energy: 0.6349670586734455 Energy: 0.6898871012265775 Energy: 0.6353003764451495 Energy: 0.6353821905476479 Energy: 0.6977582632598536 Energy: 0.6351726640107324 Energy: 0.6378652431928675 Energy: 0.5790899782564745 Energy: 0.5802136487410091 Energy: 0.6386404098703902 Energy: 0.5791409514769161 Energy: 0.637641031882939 Energy: 0.6732712274757113 Energy: 0.5783366652330373 Energy: 0.6357200554491236 Energy: 0.6733688745604856 Energy: 0.590624099421788 Energy: 0.59155410441104 Energy: 0.62385281074735 Energy: 0.5788443818103355 Energy: 0.5784677988814362 Energy: 0.5839450949739871 Energy: 0.5798396618161884 Energy: 0.5790350349401051 Energy: 0.6128062317021762 Energy: 0.5800126967251277 Energy: 0.590249213113075 Energy: 0.5776529972154159 Energy: 0.5792628497354948 Energy: 0.5800637108783642 Energy: 0.5789248471163161 Energy: 0.5805288862916913 Energy: 0.5793735890124099 Energy: 0.5788217582925352 Energy: 0.5959144336061758 Energy: 0.5791794570916806 Energy: 0.579854306805057 Energy: 0.6368881284010911 Energy: 0.5786720443204572 Energy: 0.579954831587538 Energy: 0.6345548994988003 Energy: 0.5789687773250746 Energy: 0.5607145528022074 Energy: 0.6613601183507731 Energy: 0.6354806496544566 Energy: 0.5648640430571774 Energy: 0.6137853941469299 Energy: 0.5993210404417956 Energy: 0.5607757873414375 Energy: 0.6342110278919052 Energy: 0.6350653806208116 Energy: 0.5604132031792384 Energy: 0.6377831355747681 Energy: 0.6151690516071316 Energy: 0.6322278891162955 Energy: 0.5927317544231879 Energy: 0.6312749180940231 Energy: 0.6332851892025189 Energy: 0.5911561058123013 Energy: 0.6309404905149802 Energy: 0.7265954836558807 Energy: 0.5930798286420436 Energy: 0.5918257458900134 Energy: 0.7260730261149368 Energy: 0.5578766731975746 Energy: 0.6194560723491972 Energy: 0.7229264557407721 Energy: 0.6336070276157799 Energy: 0.6357805961667404 Energy: 0.6960861953070848 Energy: 0.633499869687514 Energy: 0.6341670953726061 Energy: 0.5882190280852052 Energy: 0.6954658713923679 Energy: 0.706323842329435 Energy: 0.5916921042484621 Energy: 0.6955848093408419 Energy: 0.6159824340667012 minimum gb energy = 0.5578766731975746 eV minimum distance = 2.66559009250199 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8584819246513998 Energy: 0.7912113247952361 Energy: 0.8154062097837441 Energy: 0.6510841508084888 Energy: 0.7887853569844555 Energy: 0.8150639417449721 Energy: 0.7926851056035354 Energy: 0.7405116824778092 Energy: 0.7400431697028564 Energy: 0.7402199460963834 Energy: 0.7421930613865247 Energy: 0.7233129022318961 Energy: 0.7920169489707558 Energy: 0.6590728024226702 Energy: 0.6571768780669397 Energy: 0.7559249271059336 Energy: 0.6749240580458767 Energy: 0.7360108802567052 Energy: 0.742581366844587 Energy: 0.6588062129313613 Energy: 0.7181352490043208 Energy: 0.7434840396819327 Energy: 0.7189017719157716 Energy: 0.6777359674800616 Energy: 0.6775110446684733 Energy: 0.7427107351615195 Energy: 0.7226795878573323 Energy: 0.6775504118275831 Energy: 0.7427508478424738 Energy: 0.6763109324172933 Energy: 0.7531337711700322 Energy: 0.7626345581231074 Energy: 0.6605674656099647 Energy: 0.6581190557633014 Energy: 0.7629345324852865 Energy: 0.6610966381459156 Energy: 0.676624170181756 Energy: 0.7238272151952372 Energy: 0.6606201341310876 Energy: 0.6766726027269381 Energy: 0.7218591749646562 Energy: 0.6608561924251248 Energy: 0.6775967839476628 Energy: 0.6614622881359338 Energy: 0.6773628656388485 Energy: 0.6786815306474143 Energy: 0.6610101365849033 Energy: 0.6770927708104683 Energy: 0.727242365275109 Energy: 0.6781885255612051 Energy: 0.660693346954223 Energy: 0.6410263722012084 Energy: 0.675084487424117 Energy: 0.6610033675407434 Energy: 0.70111604780982 Energy: 0.6817699558927014 Energy: 0.6769927750130804 Energy: 0.6619035886263166 Energy: 0.6784285602809529 Energy: 0.6605442142636283 Energy: 0.7479409614912645 Energy: 0.6779107871070673 Energy: 0.6612680563212373 Energy: 0.7226492161205007 Energy: 0.6409665435766587 Energy: 0.7221250775369348 Energy: 0.7987849147949231 Energy: 0.6410501351971264 Energy: 0.6926880180132479 Energy: 0.7996065329610208 Energy: 0.6406311190053199 Energy: 0.7208628091419468 Energy: 0.7986517725801503 Energy: 0.7403560036684663 Energy: 0.6762325429985631 Energy: 0.7428567920043313 Energy: 0.7409043896869225 Energy: 0.7235835849008833 Energy: 0.7499124223283548 Energy: 0.7420049133648504 Energy: 0.6403542062719532 Energy: 0.6443628607229729 Energy: 0.7418158334947863 Energy: 0.640718815222691 minimum gb energy = 0.6403542062719532 eV minimum distance = 2.68307007855889 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.0869325292544463 Energy: 0.8086217811453716 Energy: 0.7723630480867931 Energy: 0.7874710342554143 Energy: 0.8088567990855268 Energy: 0.8392159837043223 Energy: 0.87678030954742 Energy: 0.7435609636277283 Energy: 0.7435199245453696 Energy: 0.7815269190642187 Energy: 0.743706741038087 Energy: 0.7675898202257607 Energy: 0.8067528113207959 Energy: 0.7737337561361073 Energy: 0.7762249172318192 Energy: 0.7538731136402181 Energy: 0.7479975313452786 Energy: 0.7804989801576551 Energy: 0.7827283587513705 Energy: 0.7315386350794583 Energy: 0.7612053402215218 Energy: 0.7580799512794292 Energy: 0.7457870978464837 Energy: 0.7648070443363798 Energy: 0.7825395104296076 Energy: 0.7439699264243428 Energy: 0.7438884330131049 Energy: 0.764708605048947 Energy: 0.7438407667241548 Energy: 0.7444721669206831 Energy: 0.7805565842361323 Energy: 0.7531096364457769 Energy: 0.7535317064344843 Energy: 0.7444756328337795 Energy: 0.7530508191901488 Energy: 0.7578799238083873 Energy: 0.7526891759092055 Energy: 0.7552794841404753 Energy: 0.7537869804100563 Energy: 0.7526966913374612 Energy: 0.7494451830178573 Energy: 0.7530295486845873 Energy: 0.7521052818785241 Energy: 0.7671476444198381 Energy: 0.7446936969962127 Energy: 0.7440868768208845 Energy: 0.7797221998509594 Energy: 0.7440820137644384 Energy: 0.7596611721470938 Energy: 0.7709843987172672 Energy: 0.7650058928051826 Energy: 0.7537378660982588 Energy: 0.7721491923538173 Energy: 0.7360856821716137 Energy: 0.7590179121311339 Energy: 0.766076181217602 Energy: 0.7649766607007049 Energy: 0.7544246531798168 Energy: 0.7714679054108933 Energy: 0.7355936645118034 Energy: 0.7520935041107576 Energy: 0.763102742038278 Energy: 0.7452374186514819 Energy: 0.7442207433071438 Energy: 0.7539665627136058 Energy: 0.7434598276463958 Energy: 0.7445084353392225 Energy: 0.7700069665262862 Energy: 0.7738828102685594 Energy: 0.7451392481184356 Energy: 0.7738315117582507 Energy: 0.7750319575606951 Energy: 0.7432253365696686 Energy: 0.7813502688202365 Energy: 0.7827909380444296 Energy: 0.7431759942193418 Energy: 0.7828518236310005 Energy: 0.7680489438527417 Energy: 0.7548692314157783 Energy: 0.7646260947308524 Energy: 0.8035383306291427 Energy: 0.7609896964339044 Energy: 0.7545323262880894 Energy: 0.7812708810796625 Energy: 0.7342280182341104 Energy: 0.7728324701733277 Energy: 0.7685185359698583 Energy: 0.734564738994273 Energy: 0.7524092795548908 Energy: 0.7350784632325139 Energy: 0.7345514222980728 Energy: 0.7694393532271929 Energy: 0.7347815362736578 Energy: 0.7355946437792943 Energy: 0.7553664364828073 Energy: 0.7341260625861947 Energy: 0.7340896731572817 Energy: 0.7692539113314787 Energy: 0.755612892165316 Energy: 0.7340666682235959 Energy: 0.7715534151021357 Energy: 0.7467630108219733 Energy: 0.8779810264438944 Energy: 0.7538526025134287 Energy: 0.753730634116476 Energy: 0.7616995353255754 Energy: 0.80301761370278 Energy: 0.769552023308892 Energy: 0.756778729548431 Energy: 0.7524266026920011 Energy: 0.7518933936533031 Energy: 0.7568776195421206 Energy: 0.7586441387178708 Energy: 0.7652981363155164 Energy: 0.7645768703855981 Energy: 0.7734585066683268 Energy: 0.7327723326696464 Energy: 0.7642567851100456 Energy: 0.7720773357287564 Energy: 0.7731819736950357 Energy: 0.8090025701169008 Energy: 0.732830809617843 Energy: 0.7723672980261581 Energy: 0.76311830516132 Energy: 0.7331370112817176 Energy: 0.7645992755018853 Energy: 0.7539491538599413 Energy: 0.7527632225212859 Energy: 0.7525175453924574 Energy: 0.7413889295545293 Energy: 0.7531848994816507 Energy: 0.765974138079209 Energy: 0.7392304204973804 Energy: 0.7637828750282445 Energy: 0.7763733551308113 Energy: 0.7458061656754823 Energy: 0.7652124103585615 Energy: 0.7324010953124878 Energy: 0.7995628632941565 Energy: 0.7573373897658383 Energy: 0.7777482904760543 Energy: 0.7586543938337734 Energy: 0.7570114148967834 Energy: 0.7524503969024505 Energy: 0.799292701002712 Energy: 0.7653618440432254 Energy: 0.7667645626205719 Energy: 0.8005664423902694 Energy: 0.7524708327003321 Energy: 0.7460735817351752 Energy: 0.7950417078879288 Energy: 0.7343284408056007 Energy: 0.7488349038786277 Energy: 0.7528900781934793 Energy: 0.7345224460131276 Energy: 0.7668343391831329 Energy: 0.7920299797197472 Energy: 0.734074651761401 Energy: 0.7339669062615317 Energy: 0.7597406024748494 Energy: 0.7351060833069473 Energy: 0.7347128124529665 Energy: 0.792831756339497 Energy: 0.7346582305056226 Energy: 0.7351045488935323 Energy: 0.7871507321516503 Energy: 0.7347211819119701 Energy: 0.7669767422484798 Energy: 0.8047648098955733 Energy: 0.7837377975121274 Energy: 0.7837507702780978 Energy: 0.7558432923406503 Energy: 0.7426044743547048 Energy: 0.791752933913344 Energy: 0.8758877556963219 Energy: 0.7438800707686447 Energy: 0.7448276967370788 Energy: 0.782507953497295 Energy: 0.7433236179211382 Energy: 0.7582356474063182 Energy: 0.7331791059512814 Energy: 0.7435144783914714 Energy: 0.7723629373643573 Energy: 0.770104835323707 Energy: 0.7464154011076188 Energy: 0.7719544355422744 minimum gb energy = 0.7315386350794583 eV minimum distance = 2.6674918073233 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.9843195429303121 Energy: 1.0871550487037562 Energy: 0.8281122140779191 Energy: 0.8303161743276529 Energy: 1.0834658918477003 Energy: 0.8278979717758769 Energy: 0.7840428111583807 Energy: 0.7346430110083283 Energy: 0.7405746843390988 Energy: 0.7309138542600142 Energy: 0.7352986945465766 Energy: 0.742064367171629 Energy: 0.7862188010297314 Energy: 0.7449338504095083 Energy: 0.7438465086762072 Energy: 0.7840608678694446 Energy: 0.7284732706334611 Energy: 0.7386708892492887 Energy: 0.7317966759168926 Energy: 0.7388129369534225 Energy: 0.7408383708999761 Energy: 0.7317323731703115 Energy: 0.7250194034786854 Energy: 0.7423513827440839 Energy: 0.7305042675663862 Energy: 0.7370527077486659 Energy: 0.7397902707330835 Energy: 0.7308871104419277 Energy: 0.7343082172757267 Energy: 0.7444547749241947 Energy: 0.7325204342782616 Energy: 0.7828693206846612 Energy: 0.7847222502317163 Energy: 0.7345364946709914 Energy: 0.7823234271853798 Energy: 0.7319858793700591 Energy: 0.7832997622670544 Energy: 0.745452558990523 Energy: 0.7511111076430469 Energy: 0.7841150611001805 Energy: 0.7326778597831882 Energy: 0.7846116007769575 Energy: 0.8125364460520735 Energy: 0.7349704139828839 Energy: 0.7405831644184921 Energy: 0.7337386707961798 Energy: 0.730759121584897 Energy: 0.7399285618661025 Energy: 0.7144613844883755 Energy: 0.7342911527417629 Energy: 0.7347426782596115 Energy: 0.7142918959812191 Energy: 0.7304075502189121 Energy: 0.7437281921496702 Energy: 0.7137442144903434 Energy: 0.7317127130061754 Energy: 0.7360096449664052 Energy: 0.7139239531196606 Energy: 0.7825170735865173 Energy: 0.7448088527554344 Energy: 0.8119911647934154 Energy: 0.7340144840257764 Energy: 0.7408821951202497 Energy: 0.7341542366415204 Energy: 0.7317544552855301 Energy: 0.7401013500346515 Energy: 0.7740468830316741 Energy: 0.7968977144442864 Energy: 0.7249221543507821 Energy: 0.7745206126600677 Energy: 0.7255035564601625 Energy: 0.7695687238739595 Energy: 0.7309071648400981 Energy: 0.7348326255853476 Energy: 0.7405843448886734 Energy: 0.7313001196423188 Energy: 0.7322364653926551 Energy: 0.7322725376529539 Energy: 0.7305128880365651 Energy: 0.7823895878301721 Energy: 0.782731859329567 Energy: 0.7424201851831772 Energy: 0.7848810073739667 Energy: 0.7710595844843758 Energy: 0.7308058857889358 Energy: 0.738484510032918 Energy: 0.7413893175080624 Energy: 0.7312113431213099 Energy: 0.7340113498682912 Energy: 0.7414895103327888 Energy: 0.7838330207717967 Energy: 0.7385234702988484 Energy: 0.7431877146919471 Energy: 0.7830952186644875 Energy: 0.7337586423680966 Energy: 0.7388739425226627 Energy: 0.7137892684845388 Energy: 0.7338790781117367 Energy: 0.739770786693048 Energy: 0.7134892893068966 Energy: 0.7315482661424143 Energy: 0.7430126827387551 minimum gb energy = 0.7134892893068966 eV minimum distance = 2.6748689672746 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 1.2006564073437953 Energy: 0.7838818303455677 Energy: 0.7956086198404478 Energy: 0.7847138644834577 Energy: 0.8473678538585375 Energy: 0.7993560981306643 Energy: 0.7922378724046054 Energy: 0.7871906821671973 Energy: 0.7762238466171021 Energy: 0.8066944971423102 Energy: 0.7878824375094956 Energy: 0.7767094784229515 Energy: 0.814282311873346 Energy: 0.8019877718182575 Energy: 0.7761157361418175 Energy: 0.814682444939865 Energy: 0.7994379931527501 Energy: 0.7866486912320354 Energy: 0.7771093870219609 Energy: 0.7793607385413106 Energy: 0.8019307303154133 Energy: 0.7773485301550258 Energy: 0.7792902749212782 Energy: 0.777584595750124 Energy: 0.8054822009797009 Energy: 0.7802757401541023 Energy: 0.7763477517354598 Energy: 0.8027508560828661 Energy: 0.787814003570925 Energy: 0.7615567484636928 Energy: 0.7798958096899717 Energy: 0.7864716694660661 Energy: 0.7901370268749774 Energy: 0.7810531603868599 Energy: 0.7825267731153 Energy: 0.7903944258796535 Energy: 0.7726598757176525 Energy: 0.7861002876899558 Energy: 0.7888981740080458 Energy: 0.7735813169183824 Energy: 0.7846628560263426 Energy: 0.7892382063741679 Energy: 0.7998545055848689 Energy: 0.7687351114021235 Energy: 0.7919603020364702 Energy: 0.7711576302069388 Energy: 0.769839722634856 Energy: 0.7895054050373088 Energy: 0.9174783304476175 Energy: 0.7816874997903985 Energy: 0.7713821195708044 Energy: 0.8015331484113384 Energy: 0.791048352011103 Energy: 0.7725594283986117 Energy: 0.8002746067155351 Energy: 0.7751434003521598 Energy: 0.7709103332107279 Energy: 0.79825963786048 Energy: 0.7722434494677856 Energy: 0.7617953068410103 Energy: 0.8008935036047589 Energy: 0.7857833104881895 Energy: 0.781118229554585 Energy: 0.7726264365421129 Energy: 0.7889403482709576 Energy: 0.7618215751797756 Energy: 0.8000441430334437 Energy: 0.8075072786664091 Energy: 0.7756672661844016 Energy: 0.7876273015802782 Energy: 0.801562314646008 Energy: 0.7889326501979711 Energy: 0.9282230310952626 Energy: 0.7769806992453239 Energy: 0.7762698003488937 Energy: 0.7829539930804239 Energy: 0.7786733331333839 Energy: 0.7869186118622273 Energy: 0.7983856199865481 Energy: 0.77774034103765 Energy: 0.7779190188300961 Energy: 0.7748689753197665 Energy: 0.7627762495962307 Energy: 0.7783535624929945 Energy: 0.8009690815476403 Energy: 0.7804268187223095 Energy: 0.7679023740168405 Energy: 0.7882114429932014 Energy: 0.7871113393757551 Energy: 0.7875323832650875 Energy: 0.7881548553525635 Energy: 0.7889094591236443 Energy: 0.7583299894583231 Energy: 0.7879539894695228 Energy: 0.7998594377109165 Energy: 0.7678730523147577 Energy: 0.7899842930872268 Energy: 0.7799780988402614 Energy: 0.8011294182691054 Energy: 0.7753825161858583 Energy: 0.7787098957934183 Energy: 0.7774913274550909 Energy: 0.8685341918966709 Energy: 0.7877731057485666 Energy: 0.776588562452726 Energy: 0.8025023537957041 Energy: 0.7885574919613954 Energy: 0.7667672539042576 Energy: 0.7878507673333806 Energy: 0.7953058038971498 Energy: 0.7763234161603642 Energy: 0.7878078411133022 Energy: 0.8211446361247506 Energy: 0.7765206541976583 Energy: 0.788213082298446 Energy: 0.7954279607971378 Energy: 0.7764105790145276 Energy: 0.7892955475564835 Energy: 0.8073706684309389 Energy: 0.7761279177118864 Energy: 0.7875438195584794 Energy: 0.7869474527829647 Energy: 0.787450443222548 Energy: 0.7632758146311356 Energy: 0.7902940027969918 Energy: 0.7755964411444802 minimum gb energy = 0.7583299894583231 eV minimum distance = 2.6853631164996 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.8429876714205383 Energy: 1.1728506541039718 Energy: 0.7558125534992095 Energy: 0.8429726703182363 Energy: 1.175831729620906 Energy: 0.7497819931996126 Energy: 0.7876869294173557 Energy: 0.7758983984350974 Energy: 0.7839595568568628 Energy: 0.7854850624053339 Energy: 0.784723924744528 Energy: 0.780841132779526 Energy: 0.7928769983564441 Energy: 0.7886969968101747 Energy: 0.7882174492649184 Energy: 0.7871282801946178 Energy: 0.7629207128738501 Energy: 0.7989906077614229 Energy: 0.7967482147593778 Energy: 0.7869827164666737 Energy: 0.7867249290435766 Energy: 0.7801943370597858 Energy: 0.7861771175917034 Energy: 0.7858748303698392 Energy: 0.7852044185529371 Energy: 0.7880738259645876 Energy: 0.7689225110031762 Energy: 0.7572300635800152 Energy: 0.7902060113036588 Energy: 0.769044128840398 Energy: 0.7965631143252531 Energy: 0.7843920043418887 Energy: 0.7858435430084816 Energy: 0.7877635711502925 Energy: 0.7823654583598066 Energy: 0.7853556404735988 Energy: 0.7812867067622825 Energy: 0.7419926528324641 Energy: 0.7485453060191646 Energy: 0.7828551612242636 Energy: 0.7345262254935807 Energy: 0.7240873316749451 Energy: 0.7842119241777843 Energy: 0.7266557544805126 Energy: 0.7672963930825567 Energy: 0.7864885761116021 Energy: 0.7252876676770018 Energy: 0.778932001843083 Energy: 0.7867008419878103 Energy: 0.7857634731266041 Energy: 0.7889319518847495 Energy: 0.7947027319638345 Energy: 0.7901135334786917 Energy: 0.7857983097726521 Energy: 0.816901690805336 Energy: 0.7928192732302135 Energy: 0.7942047177236654 Energy: 0.7902420319910443 Energy: 0.791529276314997 Energy: 0.794924923197837 Energy: 0.7850505136403968 Energy: 0.7668948461864583 Energy: 0.7679909623365732 Energy: 0.7855358256029065 Energy: 0.7820087778106102 Energy: 0.7648575125579543 Energy: 0.8021632089930669 Energy: 0.7944378111257525 Energy: 0.7941617804944134 Energy: 0.7897115115366629 Energy: 0.7982790770573822 Energy: 0.7912414284188253 Energy: 0.7299033661281122 Energy: 0.7912888647794271 Energy: 0.7223510227573425 Energy: 0.7306603945985044 Energy: 0.7915204351264188 Energy: 0.7242164902495226 Energy: 0.7307048001607208 Energy: 0.7850876232575862 Energy: 0.7851987682208855 Energy: 0.7613741932237604 Energy: 0.7901473135522445 Energy: 0.7261623861577466 Energy: 0.8012235304783156 Energy: 0.7920947959846468 Energy: 0.7916794562324388 Energy: 0.7916446575255307 Energy: 0.7937731756177345 Energy: 0.7914898099831127 Energy: 0.7999960823539819 Energy: 0.7897545302131189 Energy: 0.7917931858448 Energy: 0.7880070970346593 Energy: 0.800200602857053 Energy: 0.7932058332430728 Energy: 0.7560967727689086 Energy: 0.7847593704964998 Energy: 0.7853857119720529 Energy: 0.7564357281492193 Energy: 0.784578018356797 Energy: 0.7967374915040152 Energy: 0.8052792845814791 Energy: 0.781388542245683 Energy: 0.7827185412434973 Energy: 0.7876158676798759 Energy: 0.7803693132030611 Energy: 0.7721434489888894 Energy: 0.7800082040828511 Energy: 0.7382164668194039 Energy: 0.7256843766972509 Energy: 0.7804090474427725 Energy: 0.7318072678286435 Energy: 0.7243677868317974 Energy: 0.7860937673803658 Energy: 0.7383897713329465 Energy: 0.725258004122273 Energy: 0.7914889916660959 Energy: 0.7316044269084563 Energy: 0.7242901642808988 Energy: 0.7884175873269594 Energy: 0.7809967012776133 Energy: 0.7814840008336162 Energy: 0.7902194534830096 Energy: 0.7811782796918095 Energy: 0.7811683448240405 Energy: 0.7626983341055497 Energy: 0.82018301662896 Energy: 0.7837196374552913 Energy: 0.7631107607192984 Energy: 0.8276724399699018 Energy: 0.7793993121893008 Energy: 0.7881640002071242 Energy: 0.7868996868346815 Energy: 0.7897762906582992 Energy: 0.7752787337921339 Energy: 0.7861262814872694 Energy: 0.7908653220091366 Energy: 0.7971255214072476 Energy: 0.7886740804197426 Energy: 0.7937013190207766 Energy: 0.7829422725546021 Energy: 0.786713696389272 Energy: 0.7875349130410404 Energy: 0.8070540171364102 Energy: 0.8083285078789907 Energy: 0.8070520451533074 Energy: 0.7869557717864701 Energy: 0.8066891853817808 Energy: 0.7588533279165046 minimum gb energy = 0.7223510227573425 eV minimum distance = 2.70083852455943 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.8102163429065148 Energy: 0.7563488194219998 Energy: 0.7609563390931481 Energy: 0.7828833054432157 Energy: 0.7588090672377137 Energy: 0.7605173149377665 Energy: 0.7900431525625078 Energy: 0.7694544814535939 Energy: 0.7696837923784844 Energy: 0.7702732955575637 Energy: 0.7688273412246787 Energy: 0.7700444698013675 Energy: 0.7890616297205238 Energy: 0.7753444923590495 Energy: 0.7693710787027976 Energy: 0.7841282603840888 Energy: 0.7710023037984988 Energy: 0.7759700671994192 Energy: 0.7848371670503053 Energy: 0.7723435252648575 Energy: 0.7968341182680402 Energy: 0.7687678823761513 Energy: 0.7699641099760572 Energy: 0.7688743504411141 Energy: 0.7773550821037764 Energy: 0.7762845393453508 Energy: 0.7766070658658351 Energy: 0.7774321524619111 Energy: 0.785399064958291 Energy: 0.7721546509092795 Energy: 0.7868774964442116 Energy: 0.801601184051336 Energy: 0.7690802087136949 Energy: 0.7697143304499843 Energy: 0.7699114040032394 Energy: 0.7697772628010277 Energy: 0.7755139007655523 Energy: 0.772724215540652 Energy: 0.7649255384980472 Energy: 0.7746872895387499 Energy: 0.7724952858711238 Energy: 0.7699679536634622 Energy: 0.782223749332113 Energy: 0.7793072746671421 Energy: 0.7695253886060982 Energy: 0.7682631169859664 Energy: 0.7749580325967386 Energy: 0.7696670427776874 Energy: 0.7634504040778446 Energy: 0.7760544371505163 Energy: 0.7714611740715593 Energy: 0.7647571280341521 Energy: 0.7822457652567428 Energy: 0.7853687014157846 Energy: 0.7656033451366755 Energy: 0.7779125665187371 Energy: 0.7762475158491442 Energy: 0.779114742808933 Energy: 0.7786685115056692 Energy: 0.7747541568576649 Energy: 0.7841381637232464 Energy: 0.7674494320159221 Energy: 0.7539462165368753 Energy: 0.7839719407193165 Energy: 0.7501925494976938 Energy: 0.7516648549578012 Energy: 0.7778211205509021 Energy: 0.7851280471681754 Energy: 0.7868513142841238 Energy: 0.7570336536048055 Energy: 0.7822499087833067 Energy: 0.7439109599914874 Energy: 0.789143485885372 Energy: 0.7728874500951759 Energy: 0.7680637354261366 Energy: 0.7653673169373282 Energy: 0.7732125095065208 Energy: 0.7666753794983308 Energy: 0.8074835597712675 Energy: 0.7734814150207577 Energy: 0.7794597429048488 Energy: 0.7656586493644332 Energy: 0.7724408648481043 Energy: 0.777926164215608 Energy: 0.7775036082613812 Energy: 0.7489847068883535 Energy: 0.7645701618625768 Energy: 0.7790539569384042 Energy: 0.7445373032349342 Energy: 0.7499312895903354 Energy: 0.7772388290745058 Energy: 0.7707173175695541 Energy: 0.7720536857057322 Energy: 0.7650291983779212 Energy: 0.7452004737669186 Energy: 0.7595432923266864 Energy: 0.7734442859038638 Energy: 0.7793795347735497 Energy: 0.7802183882897631 Energy: 0.7457864176255722 Energy: 0.7792063339419875 Energy: 0.7788745859909472 Energy: 0.8062469100234639 Energy: 0.763807932578268 Energy: 0.7642325012184096 Energy: 0.7595342442156391 Energy: 0.7686053770761697 Energy: 0.7614069372248958 Energy: 0.78638383301087 Energy: 0.7711182540450054 Energy: 0.7726057916773102 Energy: 0.7756311577016379 Energy: 0.7687618765805405 Energy: 0.7603044502910677 Energy: 0.769695563471704 Energy: 0.7729797728699895 Energy: 0.7736101987558771 Energy: 0.7698947077217976 Energy: 0.7690576157015736 Energy: 0.7608504577643506 Energy: 0.7470993850242456 Energy: 0.7648463958759364 Energy: 0.7665506312106305 Energy: 0.7471919417320779 Energy: 0.768107235467365 Energy: 0.7691757120593613 Energy: 0.7437303345321566 Energy: 0.7508551085782598 Energy: 0.749120309446942 Energy: 0.7440704930285162 Energy: 0.7609880041259935 Energy: 0.7439915704740016 Energy: 0.7751604267910104 Energy: 0.7730585399708307 Energy: 0.7741851228338483 Energy: 0.7742806878915837 Energy: 0.7853022442794659 Energy: 0.7680151119684409 Energy: 0.8040794439922138 Energy: 0.7618045076809684 Energy: 0.7641077210284039 Energy: 0.7881845497446364 Energy: 0.7363828896200575 Energy: 0.7392123742568463 Energy: 0.7956909104703475 Energy: 0.7493639328711765 Energy: 0.7509798636218115 Energy: 0.7463802927968207 Energy: 0.7645235307557581 Energy: 0.7509031948929936 Energy: 0.7730088109604669 Energy: 0.7695523713704838 Energy: 0.7661844778102236 Energy: 0.7675497377196814 Energy: 0.7678127594959762 Energy: 0.7662897083177876 Energy: 0.7901178989799236 Energy: 0.7798529895871147 Energy: 0.7813258756405077 Energy: 0.7742665152029056 Energy: 0.7706609730517746 Energy: 0.7780302632497217 Energy: 0.7891173018768983 Energy: 0.7728754130416426 Energy: 0.7759402641951785 Energy: 0.7832710272439328 Energy: 0.7703917900954801 Energy: 0.7699671155632254 Energy: 0.8029337858435616 Energy: 0.798411719553865 Energy: 0.7985296894247882 Energy: 0.7834678978905368 Energy: 0.7982093085836591 Energy: 0.7657361474165104 minimum gb energy = 0.7363828896200575 eV minimum distance = 2.65337165133673 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.0877798004483314 Energy: 0.7603125994894261 Energy: 0.7643169705995526 Energy: 0.7415413580164187 Energy: 0.7640993842005257 Energy: 0.7064908964573878 Energy: 0.7791455779679607 Energy: 0.7591643677721921 Energy: 0.7580223731702422 Energy: 0.7386693906847001 Energy: 0.7362936148341303 Energy: 0.7577094801954783 Energy: 0.7795432408038859 Energy: 0.736464310267289 Energy: 0.7578829730199595 Energy: 0.7696830481435334 Energy: 0.7349989073964105 Energy: 0.7592701808178783 Energy: 0.7668813767556258 Energy: 0.759224279365681 Energy: 0.7575773385558655 Energy: 0.7607019511394035 Energy: 0.7603387057137526 Energy: 0.759186614081545 Energy: 0.7418852026049113 Energy: 0.7540938817725861 Energy: 0.7609634490598098 Energy: 0.7432509634485313 Energy: 0.7703496379272249 Energy: 0.7624259881057076 Energy: 0.7482731069892008 Energy: 0.7588485292363017 Energy: 0.7567900881038072 Energy: 0.7505527078208556 Energy: 0.759504820851593 Energy: 0.7582911363704964 Energy: 0.7620685049295182 Energy: 0.7320806901938196 Energy: 0.7455126994563016 Energy: 0.760874096923816 Energy: 0.7300579520198519 Energy: 0.7348905728508719 Energy: 0.7586711154993966 Energy: 0.738560985156925 Energy: 0.755536503450897 Energy: 0.7579135364829019 Energy: 0.7539762757046874 Energy: 0.7550988105848805 Energy: 0.7276458682823834 Energy: 0.7503863332346532 Energy: 0.7576230335466757 Energy: 0.7287926928456328 Energy: 0.758588256951567 Energy: 0.7374128421539992 Energy: 0.7262633738518959 Energy: 0.7573777370781886 Energy: 0.7635317758084846 Energy: 0.7354729145365593 Energy: 0.7543693629210675 Energy: 0.7547528538332317 Energy: 0.7654576897755885 Energy: 0.7034989903995978 Energy: 0.7297804417140106 Energy: 0.7643280883510716 Energy: 0.7086402950703908 Energy: 0.7307421072197118 Energy: 0.7814246204323944 Energy: 0.7425629326594457 Energy: 0.7550535923356358 Energy: 0.7603475826082909 Energy: 0.7348611304549927 Energy: 0.7613763958275326 Energy: 0.7461010800505561 Energy: 0.7509790843109757 Energy: 0.7485886804484154 Energy: 0.7229883997804062 Energy: 0.7661122876488661 Energy: 0.7498509785270302 Energy: 0.7447379166397332 Energy: 0.7350721816172436 Energy: 0.7578363246233614 Energy: 0.7311778446214943 Energy: 0.7352381266584456 Energy: 0.756398621070545 Energy: 0.7781377360272179 Energy: 0.7398631923611826 Energy: 0.7406269699681279 Energy: 0.7704106860228526 Energy: 0.7292025723785223 Energy: 0.7570507418832095 Energy: 0.7786636507380993 Energy: 0.7375652800494212 Energy: 0.7569490626445221 Energy: 0.7589789930080779 Energy: 0.7386007800878214 Energy: 0.7579685365514414 Energy: 0.7463049464797334 Energy: 0.8160578709442017 Energy: 0.759711996983327 Energy: 0.7030971326140606 Energy: 0.8181498500537204 Energy: 0.7010316323683176 Energy: 0.8302138335263144 Energy: 0.748033179859759 Energy: 0.7561273563147259 Energy: 0.758626591705378 Energy: 0.7359046765648625 Energy: 0.758233250660211 Energy: 0.7780475916345775 Energy: 0.7360736679658475 Energy: 0.751861920984798 Energy: 0.7600744861819436 Energy: 0.7349841004848181 Energy: 0.7552694893796649 Energy: 0.7681340266825616 Energy: 0.7365977939363425 Energy: 0.753951427952598 Energy: 0.7487167755548909 Energy: 0.7352764993796951 Energy: 0.7557198248515764 Energy: 0.7444285187070375 Energy: 0.7479510581140377 Energy: 0.7484349323008042 Energy: 0.7430346242598679 Energy: 0.7483153018924293 Energy: 0.757956632141355 Energy: 0.7706988523926097 Energy: 0.75675804070067 Energy: 0.7577609001763753 Energy: 0.7455622308363941 Energy: 0.7510208859907072 Energy: 0.7572529686626389 Energy: 0.7656257667793993 Energy: 0.7304728828237863 Energy: 0.7330457236567473 Energy: 0.7590166008488736 Energy: 0.7318267081770636 Energy: 0.7514172765293065 Energy: 0.7617823134625006 Energy: 0.7415834949423232 Energy: 0.7510389167174907 Energy: 0.7588095653035004 Energy: 0.7398103651966501 Energy: 0.7626487188400927 Energy: 0.7343432244699393 Energy: 0.7590181150023448 Energy: 0.7561940835988508 Energy: 0.7351178300418613 Energy: 0.7492408269178003 Energy: 0.7548718142010915 Energy: 0.7272850824706167 Energy: 0.7593883354089903 Energy: 0.758282474642224 Energy: 0.727991563127842 Energy: 0.75921717212522 Energy: 0.7577186697090026 Energy: 0.7620142224127815 Energy: 0.7035452030095888 Energy: 0.7042327019040999 Energy: 0.7494272295929303 Energy: 0.707109599093407 Energy: 0.7461996782759903 Energy: 0.7804944401515133 Energy: 0.7049410907504728 Energy: 0.7044642295423502 Energy: 0.7542007427590314 Energy: 0.7046297895407434 Energy: 0.7575419932363514 Energy: 0.7422077681902619 Energy: 0.7278726820532347 Energy: 0.7362796385837926 Energy: 0.7213598929131717 Energy: 0.7352271938348434 Energy: 0.7367217939513448 Energy: 0.7463337464159099 Energy: 0.7597569441924459 Energy: 0.7605223097971201 Energy: 0.72139351676574 Energy: 0.7495557955255805 Energy: 0.7592324255323797 Energy: 0.7794225441049792 Energy: 0.7353183829573862 Energy: 0.7544289015259625 Energy: 0.7562405758238079 Energy: 0.7351893198069854 Energy: 0.7568072724305864 Energy: 0.7779484548324698 Energy: 0.7376866027547465 Energy: 0.7371398042359079 Energy: 0.7643649092601655 Energy: 0.7373207915682178 Energy: 0.7568001779923504 Energy: 0.7482490155352302 Energy: 0.7403875648368471 Energy: 0.7030651783899186 Energy: 0.700828975000201 Energy: 0.7268321769824719 Energy: 0.7574940834636943 minimum gb energy = 0.700828975000201 eV minimum distance = 2.67112136128314 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011679926127274583 Energy: 0.6723160061743917 Energy: 0.012771867900447646 Energy: 0.013452481246229182 Energy: 0.6768703615139092 Energy: 0.012134669332088878 Energy: 0.4132772050190071 Energy: 0.12432964775962858 Energy: 0.12363721154038833 Energy: 0.12342536832410356 Energy: 0.12402145581888022 Energy: 0.12337926018300935 Energy: 0.971870269058897 Energy: 0.6792151994966692 Energy: 0.6774272288782617 Energy: 0.6709334758776423 Energy: 0.6733616041963838 Energy: 0.6770846919932179 Energy: 0.4132772050193602 Energy: 0.12432964775998165 Energy: 0.12363721154142795 Energy: 0.12342536832514321 Energy: 0.1240214558192137 Energy: 0.12337926018196971 minimum gb energy = 0.011679926127274583 eV minimum distance = 2.82915966181128 Angstroms sigma value = 1