model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=3.9946166351437573 cohesive_energy=3.28511992291482 mass=26.981538 Isolated atom energy: -6.30324000329931e-20 eV ======================================== theta = 0.0 ======================================== Energy: 0.010376303684082424 Energy: 0.010376303684567555 Energy: 0.010376303684567555 Energy: 0.010376303685081224 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303685081224 Energy: 0.010376303684082424 Energy: 0.010376303684567555 Energy: 0.010376303684567555 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303684567555 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.09894597673503214 Energy: 0.010376303684082424 Energy: 0.010376303684567555 Energy: 0.010376303684567555 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303685081224 Energy: 0.010376303684082424 Energy: 0.010376303684567555 Energy: 0.010376303684082424 Energy: 0.010376303684082424 Energy: 0.010376303684082424 minimum gb energy = 0.010376303684082424 eV minimum distance = 2.82451291876536 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.34438709206486756 Energy: 0.34656056377694217 Energy: 0.3465605656497258 Energy: 0.3109081220053602 Energy: 0.34617645038101547 Energy: 0.34617645038001316 Energy: 0.3133029753583238 Energy: 0.34019090483386316 Energy: 0.34019090483352904 Energy: 0.3143865780484835 Energy: 0.30987246110389605 Energy: 0.3098724611042302 Energy: 0.3172660283347293 Energy: 0.3465779621955313 Energy: 0.3465779621955313 Energy: 0.28923627644607836 Energy: 0.3517338289519231 Energy: 0.3517338290581045 Energy: 0.3133141073231828 Energy: 0.3462483421177868 Energy: 0.3462483421251369 Energy: 0.3144989279974977 Energy: 0.31144303281902863 Energy: 0.3114430328186945 Energy: 0.31727969215994545 Energy: 0.37080873863409125 Energy: 0.37080873863409125 Energy: 0.31449332240985894 Energy: 0.3517094007420459 Energy: 0.3517094007420459 minimum gb energy = 0.28923627644607836 eV minimum distance = 2.53631401266479 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.3580183580069297 Energy: 0.36209392855862 Energy: 0.3620939329770856 Energy: 0.28958072649841965 Energy: 0.36020426788848103 Energy: 0.3602042707095416 Energy: 0.3269843807407545 Energy: 0.3620983172732901 Energy: 0.3620983172732901 Energy: 0.3231351971430842 Energy: 0.3602042675637234 Energy: 0.3602042675637234 Energy: 0.3135925228591732 Energy: 0.361739658836054 Energy: 0.36173965883569614 Energy: 0.33205266394821176 Energy: 0.3608392065654554 Energy: 0.36083920656509755 Energy: 0.30478263431946 Energy: 0.3615844562107396 Energy: 0.3615844562107396 Energy: 0.32339135064610053 Energy: 0.36083163178569483 Energy: 0.3608316317860527 Energy: 0.32294022746223733 Energy: 0.36172759868469984 Energy: 0.36172759868469984 Energy: 0.31603996664393125 Energy: 0.3676033372022655 Energy: 0.3676033372022655 minimum gb energy = 0.28958072649841965 eV minimum distance = 2.53739482948697 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.3731269626122243 Energy: 0.3730401712927438 Energy: 0.37304017129312905 Energy: 0.33474210613969185 Energy: 0.37227032507763225 Energy: 0.37227032507763225 Energy: 0.343607146152911 Energy: 0.33786259331974255 Energy: 0.3378625933193574 Energy: 0.33806675021379023 Energy: 0.43151363997594 Energy: 0.43151363997594 Energy: 0.34296131172732786 Energy: 0.37417552735300513 Energy: 0.37417552735300513 Energy: 0.3125070214180954 Energy: 0.37926958596258126 Energy: 0.37926958596258126 Energy: 0.33803069724826634 Energy: 0.3403118213643919 Energy: 0.3403118213643919 Energy: 0.34297630857047007 Energy: 0.4755357973957334 Energy: 0.4755357973957334 Energy: 0.3447189034437286 Energy: 0.34065988365851985 Energy: 0.34065988365851985 Energy: 0.33595846370230836 Energy: 0.37954284758100704 Energy: 0.37954284758100704 minimum gb energy = 0.3125070214180954 eV minimum distance = 2.53614503878854 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.3900520919273116 Energy: 0.39213895940280663 Energy: 0.39213895940280663 Energy: 0.35515946138177135 Energy: 0.4254377640458555 Energy: 0.4254377640458555 Energy: 0.35074349876059524 Energy: 0.38765859506599193 Energy: 0.38765859506599193 Energy: 0.3509563063374799 Energy: 0.3912162639900878 Energy: 0.3912162639900878 Energy: 0.3611017847025228 Energy: 0.4212789990644643 Energy: 0.4212789990644643 Energy: 0.3611730772817947 Energy: 0.39009964288771 Energy: 0.39009964288771 Energy: 0.3612223229137629 Energy: 0.4308257941731663 Energy: 0.4308257941731663 Energy: 0.3461869295541372 Energy: 0.3912162613118143 Energy: 0.39121626156988526 Energy: 0.35657636462699976 Energy: 0.3769211840369992 Energy: 0.3769211840369992 Energy: 0.35799709669161667 Energy: 0.39062130717356874 Energy: 0.39062130717356874 minimum gb energy = 0.3461869295541372 eV minimum distance = 2.5306201415853 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.408475342303196 Energy: 0.41411323511473164 Energy: 0.41411323511473164 Energy: 0.38289065808912126 Energy: 0.373334946810595 Energy: 0.37333494681104973 Energy: 0.37096895723618184 Energy: 0.4051305155102693 Energy: 0.4051305155102693 Energy: 0.3680427707421578 Energy: 0.4067284010218625 Energy: 0.4067284010218625 Energy: 0.37653378207158544 Energy: 0.3765159749578231 Energy: 0.3765159789966666 Energy: 0.3418821432034363 Energy: 0.41299856115323696 Energy: 0.41299856115323696 Energy: 0.3767529823843583 Energy: 0.36895556692654463 Energy: 0.3689555668465346 Energy: 0.37655211193569954 Energy: 0.37155155156455444 Energy: 0.37155155156455444 Energy: 0.3533982050423326 Energy: 0.40450740299356885 Energy: 0.40450740299356885 Energy: 0.3764556076204753 Energy: 0.373175688032607 Energy: 0.373175688032607 minimum gb energy = 0.3418821432034363 eV minimum distance = 2.52503972535178 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.42837545822071066 Energy: 0.42961490382311235 Energy: 0.42961490382311235 Energy: 0.3901973650534397 Energy: 0.42806006259389545 Energy: 0.42806006259389545 Energy: 0.39747254584476316 Energy: 0.4252358720397402 Energy: 0.4252358720387407 Energy: 0.38958899390278184 Energy: 0.419139471321243 Energy: 0.419139471321243 Energy: 0.3972601715277375 Energy: 0.4163117618923285 Energy: 0.4163117618923285 Energy: 0.3974121527753456 Energy: 0.4379930387716138 Energy: 0.4379930387716138 Energy: 0.3894995786004129 Energy: 0.4372143402523499 Energy: 0.4372143402523499 Energy: 0.3935010469788302 Energy: 0.42157402589901016 Energy: 0.42157402589901016 Energy: 0.39742350443489566 Energy: 0.4671812015462961 Energy: 0.4671812015462961 Energy: 0.3978981121256158 Energy: 0.41667699888902937 Energy: 0.41667699888902937 minimum gb energy = 0.3894995786004129 eV minimum distance = 2.52489171976058 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.4422105463893983 Energy: 0.4589467415760152 Energy: 0.4589467415760152 Energy: 0.4268935293193291 Energy: 0.4588611891816476 Energy: 0.4588611891822022 Energy: 0.4041577807671461 Energy: 0.4588612533979744 Energy: 0.4588612533985291 Energy: 0.37071232300068896 Energy: 0.4588350690713332 Energy: 0.45884252899539657 Energy: 0.3921928895234847 Energy: 0.45834909107367594 Energy: 0.45834909107367594 Energy: 0.38765135405573975 Energy: 0.45835126196581044 Energy: 0.45835126196581044 Energy: 0.40979073919184494 Energy: 0.4583608523178539 Energy: 0.4583608523178539 Energy: 0.40415776220470906 Energy: 0.458841961182116 Energy: 0.458841961182116 Energy: 0.41931430458934593 Energy: 0.45883834831075215 Energy: 0.45883834831075215 Energy: 0.4264134222963742 Energy: 0.4588408142141237 Energy: 0.4588408142657059 minimum gb energy = 0.37071232300068896 eV minimum distance = 2.52190023415675 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.46556472622945755 Energy: 0.48438360466003416 Energy: 0.48438360466003416 Energy: 0.44141279689811336 Energy: 0.4376538740050173 Energy: 0.4376538740050173 Energy: 0.4408294161370299 Energy: 0.4409451218353572 Energy: 0.4409451218353572 Energy: 0.44732482367620463 Energy: 0.4436450321085828 Energy: 0.4436830345444743 Energy: 0.4467068517238084 Energy: 0.469572892616355 Energy: 0.46957289261697793 Energy: 0.4467199972289628 Energy: 0.4695728581938529 Energy: 0.46957286155203043 Energy: 0.4472445093554503 Energy: 0.44846907709106115 Energy: 0.44846907687310655 Energy: 0.4472720139321409 Energy: 0.4409451263281051 Energy: 0.44094512484359544 Energy: 0.4414127964485271 Energy: 0.43759732898405607 Energy: 0.4375973308135214 Energy: 0.45505736543509695 Energy: 0.4809647915714254 Energy: 0.4809647915714254 minimum gb energy = 0.43759732898405607 eV minimum distance = 2.50525694346867 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.48908997734481613 Energy: 0.5013696217878747 Energy: 0.50136856561007 Energy: 0.44937422480447653 Energy: 0.4555022749148751 Energy: 0.4555022749148751 Energy: 0.4630051244156165 Energy: 0.47493332622816375 Energy: 0.47493332622816375 Energy: 0.4282142015668562 Energy: 0.5005345835986293 Energy: 0.5005345835986293 Energy: 0.45789094102559935 Energy: 0.4615370084635085 Energy: 0.4615370084635085 Energy: 0.44183902000301273 Energy: 0.4834744641223838 Energy: 0.4834744641223838 Energy: 0.4456459494824109 Energy: 0.499440636389985 Energy: 0.4994406363942997 Energy: 0.4570588940258534 Energy: 0.5109800417180684 Energy: 0.5109800417180684 Energy: 0.4044631726887678 Energy: 0.5053242879832665 Energy: 0.5053242879835983 Energy: 0.4695503733641527 Energy: 0.46301754635647496 Energy: 0.46301754635647496 minimum gb energy = 0.4044631726887678 eV minimum distance = 2.53071052574695 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.49667367202254137 Energy: 0.5145696905506504 Energy: 0.5145696905506504 Energy: 0.4814433734668187 Energy: 0.4664806033499045 Energy: 0.4664806017141266 Energy: 0.46445415470448176 Energy: 0.49829263759948705 Energy: 0.49829263759948705 Energy: 0.45771374647338653 Energy: 0.5124531920347236 Energy: 0.5124531920347236 Energy: 0.469668445744404 Energy: 0.5086619134011445 Energy: 0.5086619134011445 Energy: 0.43562917926602873 Energy: 0.5124438625784227 Energy: 0.5124396582765498 Energy: 0.4589110492635519 Energy: 0.4765352962463839 Energy: 0.4765352962463839 Energy: 0.41271792610873026 Energy: 0.5124380252679572 Energy: 0.5124378635174723 Energy: 0.4644639755009854 Energy: 0.47361907317677365 Energy: 0.47361907317677365 Energy: 0.48115416191245397 Energy: 0.49831032616324994 Energy: 0.49831032616324994 minimum gb energy = 0.41271792610873026 eV minimum distance = 2.50327101495809 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5236547763262132 Energy: 0.5205433995331812 Energy: 0.520543396900311 Energy: 0.42961480977496447 Energy: 0.5245383403952039 Energy: 0.5245383411112554 Energy: 0.42658577883256266 Energy: 0.5379113368874769 Energy: 0.5379113368874769 Energy: 0.45574576219869883 Energy: 0.5090851750472893 Energy: 0.5090851750472893 Energy: 0.4898499310537524 Energy: 0.5205151583526905 Energy: 0.5205151583526905 Energy: 0.47498850234806117 Energy: 0.5241988888501999 Energy: 0.5241988888501999 Energy: 0.4562391585990221 Energy: 0.5056507251232704 Energy: 0.5056507251228884 Energy: 0.4860330672629097 Energy: 0.4755949307241362 Energy: 0.4755949307245181 Energy: 0.47503999694761107 Energy: 0.5301957149946228 Energy: 0.5301957149946228 Energy: 0.4737061539797036 Energy: 0.515521530853742 Energy: 0.515521530853742 minimum gb energy = 0.42658577883256266 eV minimum distance = 2.51590821823844 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5107822179748935 Energy: 0.553086321086413 Energy: 0.553086321086413 Energy: 0.4720720099389989 Energy: 0.4936688373034565 Energy: 0.4936688373034565 Energy: 0.504955352647682 Energy: 0.5408011044304339 Energy: 0.5408011044304339 Energy: 0.4946583821891517 Energy: 0.5523139158504102 Energy: 0.5523139158504102 Energy: 0.49368105219880376 Energy: 0.4720720002924779 Energy: 0.4720720077221591 Energy: 0.4937609572462193 Energy: 0.49397344213394134 Energy: 0.49397344213394134 Energy: 0.4653068581847431 Energy: 0.5327749095621942 Energy: 0.5327749094920283 Energy: 0.47207201388906117 Energy: 0.5287714646451978 Energy: 0.5287714646451978 Energy: 0.4664027885415881 Energy: 0.493717231953045 Energy: 0.493717231953045 Energy: 0.4720720096047399 Energy: 0.46715479420481104 Energy: 0.4671547942056367 minimum gb energy = 0.4653068581847431 eV minimum distance = 2.50718986902286 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5554783676867351 Energy: 0.571121624670601 Energy: 0.571121624670601 Energy: 0.4881493621293644 Energy: 0.591946574339817 Energy: 0.591946574339817 Energy: 0.5248170858548702 Energy: 0.5191868515654126 Energy: 0.5191868515649634 Energy: 0.5199595161127506 Energy: 0.5184521812465431 Energy: 0.5184521812465431 Energy: 0.5184979901356092 Energy: 0.5192175975514983 Energy: 0.5192175975514983 Energy: 0.5117827434976104 Energy: 0.5185667929149442 Energy: 0.5185667929149442 Energy: 0.514713202432873 Energy: 0.49473602211851786 Energy: 0.49473602211851786 Energy: 0.5059796291508933 Energy: 0.5146214615242948 Energy: 0.5146214615242948 Energy: 0.5185667875705751 Energy: 0.48046375090648497 Energy: 0.48046375090648497 Energy: 0.48714035394248095 Energy: 0.5185506489789857 Energy: 0.5185506489789857 minimum gb energy = 0.48046375090648497 eV minimum distance = 2.50466060129413 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5340373561997389 Energy: 0.5213951353206201 Energy: 0.5213951353206201 Energy: 0.49856325117693506 Energy: 0.5691040627792777 Energy: 0.5691040627792777 Energy: 0.5447702745860677 Energy: 0.57722458383421 Energy: 0.57722458383421 Energy: 0.540063657751243 Energy: 0.4829748354651666 Energy: 0.4829748354651666 Energy: 0.5395109986477634 Energy: 0.5028244985166574 Energy: 0.5028244985166574 Energy: 0.48864095142287006 Energy: 0.5690881319887185 Energy: 0.5690881319877334 Energy: 0.4865781431044362 Energy: 0.5330831904184412 Energy: 0.5330831921886918 Energy: 0.48657813529585214 Energy: 0.5220662831932881 Energy: 0.5220662831932881 Energy: 0.5162434154967666 Energy: 0.528059159065445 Energy: 0.528059159065445 Energy: 0.517935534320538 Energy: 0.49497225973783593 Energy: 0.49497225973783593 minimum gb energy = 0.4829748354651666 eV minimum distance = 2.49554839643716 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5745557868802796 Energy: 0.550798241385916 Energy: 0.550798241385916 Energy: 0.5386965007964016 Energy: 0.5078613994026723 Energy: 0.5078613994026723 Energy: 0.5386953492936205 Energy: 0.5078584402299512 Energy: 0.5078584402299512 Energy: 0.5435958130767004 Energy: 0.5507649995808087 Energy: 0.550764999580458 Energy: 0.5386986360543505 Energy: 0.5169520024189166 Energy: 0.5169520024189166 Energy: 0.538696492172552 Energy: 0.522259050938225 Energy: 0.522259050938225 Energy: 0.5139220436451014 Energy: 0.5506138455178772 Energy: 0.5506138455178772 Energy: 0.5418855298269546 Energy: 0.5264358386652767 Energy: 0.5264358386656274 Energy: 0.5386969181656619 Energy: 0.5285739890311832 Energy: 0.5285739890311832 Energy: 0.4869241064985289 Energy: 0.5505623579385923 Energy: 0.5505623579385923 minimum gb energy = 0.4869241064985289 eV minimum distance = 2.5244740945093 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5651361079881515 Energy: 0.5472177835607467 Energy: 0.5472177835596571 Energy: 0.5139461032853234 Energy: 0.5636086214401296 Energy: 0.5636086214406744 Energy: 0.5036835151428659 Energy: 0.5188716473477368 Energy: 0.5188716473477368 Energy: 0.5361522701145917 Energy: 0.5165404550902335 Energy: 0.5165404550902335 Energy: 0.5151630321349505 Energy: 0.49694016999150975 Energy: 0.496940349601433 Energy: 0.5625193192672046 Energy: 0.5361908236005481 Energy: 0.5361908236005481 Energy: 0.5483944476612342 Energy: 0.5373305031381974 Energy: 0.5373305031387421 Energy: 0.507805806580393 Energy: 0.5373542089159427 Energy: 0.5373542089164874 Energy: 0.5488191895858893 Energy: 0.5440489155828077 Energy: 0.5440489155828077 Energy: 0.49694036301425565 Energy: 0.5252111888932652 Energy: 0.5252111888932652 minimum gb energy = 0.49694016999150975 eV minimum distance = 2.49143818661621 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.570563262545622 Energy: 0.5417359636409669 Energy: 0.5417359636409669 Energy: 0.5237360393460581 Energy: 0.5417342597518883 Energy: 0.5417342597522645 Energy: 0.524156955573755 Energy: 0.5506916452196714 Energy: 0.5506916452196714 Energy: 0.5243565065251472 Energy: 0.5275494960172514 Energy: 0.5275494960172514 Energy: 0.5018069472082697 Energy: 0.5422864783038198 Energy: 0.5422864783038198 Energy: 0.532652697560467 Energy: 0.5334699245896041 Energy: 0.5334699245899804 Energy: 0.5336675808321699 Energy: 0.532820790462426 Energy: 0.532820790462426 Energy: 0.513068301891657 Energy: 0.5275737722026516 Energy: 0.5275737722026516 Energy: 0.5162264454915569 Energy: 0.5411483177142854 Energy: 0.5411483177142854 Energy: 0.4945310560235046 Energy: 0.5411482992392738 Energy: 0.5411482992392738 minimum gb energy = 0.4945310560235046 eV minimum distance = 2.53167990204528 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5134169173985007 Energy: 0.5208828371055206 Energy: 0.5208828371043024 Energy: 0.5418341661607345 Energy: 0.4983193883593735 Energy: 0.4983193883581554 Energy: 0.5969343561109509 Energy: 0.5208828394104474 Energy: 0.5208828394104474 Energy: 0.4983193904986878 Energy: 0.5052862490876223 Energy: 0.5052862490876223 Energy: 0.5470212743051626 Energy: 0.498342763235736 Energy: 0.4983427632333274 Energy: 0.4983193916079485 Energy: 0.5331189481944044 Energy: 0.5331189580594525 Energy: 0.5499016879133846 Energy: 0.4983497769118798 Energy: 0.4983497769118798 Energy: 0.4983605224542159 Energy: 0.5331189742828373 Energy: 0.5331189742828373 Energy: 0.49831939025029665 Energy: 0.5038328253919762 Energy: 0.503832825390758 Energy: 0.5047632301338638 Energy: 0.49831939177109713 Energy: 0.4983193895623485 minimum gb energy = 0.4983193883581554 eV minimum distance = 2.56383795196654 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5583272353499179 Energy: 0.5420560832002682 Energy: 0.5420560832005917 Energy: 0.5119277082470719 Energy: 0.53093346137356 Energy: 0.53093346137356 Energy: 0.5334506024238153 Energy: 0.5886925624057593 Energy: 0.5886925624060828 Energy: 0.5423030775131106 Energy: 0.5440843263184986 Energy: 0.5440843263184986 Energy: 0.5334506162505447 Energy: 0.5408352490686508 Energy: 0.5408352490686508 Energy: 0.5568493125272664 Energy: 0.5991168404222124 Energy: 0.5991168404222124 Energy: 0.5578862884088799 Energy: 0.5419774616659545 Energy: 0.5419774616662781 Energy: 0.51192979368746 Energy: 0.5171193035089201 Energy: 0.5171193035089201 Energy: 0.5570627165555148 Energy: 0.596562102216452 Energy: 0.596562102216452 Energy: 0.539348561469088 Energy: 0.5441301612441858 Energy: 0.5441301612441858 minimum gb energy = 0.5119277082470719 eV minimum distance = 2.57213220247852 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5857446285861826 Energy: 0.5315325084765039 Energy: 0.5315325084769444 Energy: 0.5408757980386684 Energy: 0.5462421333765036 Energy: 0.5462421333765036 Energy: 0.5943028070273286 Energy: 0.5499674978922444 Energy: 0.5499674978913633 Energy: 0.5424783750351061 Energy: 0.531466579558664 Energy: 0.531466579558664 Energy: 0.5198989842802607 Energy: 0.5314896548827863 Energy: 0.5314896548827863 Energy: 0.5988270798276709 Energy: 0.5808171090290379 Energy: 0.5808171090290379 Energy: 0.5453965112645197 Energy: 0.5746206434597505 Energy: 0.5746206434179223 Energy: 0.544435704904639 Energy: 0.5314459471458237 Energy: 0.5314459471462641 Energy: 0.5198966275853834 Energy: 0.5441862803491084 Energy: 0.5441862803491084 Energy: 0.577083381328944 Energy: 0.5263083036848407 Energy: 0.5263083036848407 minimum gb energy = 0.5198966275853834 eV minimum distance = 2.49784634569106 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5729784274545454 Energy: 0.5261472879836545 Energy: 0.5261472879836545 Energy: 0.513391629177825 Energy: 0.5458969288677326 Energy: 0.5458969288684224 Energy: 0.5133916301873992 Energy: 0.5418544491352566 Energy: 0.5418544491352566 Energy: 0.5467525198139631 Energy: 0.5414577210349675 Energy: 0.5414577210349675 Energy: 0.6178063888980498 Energy: 0.5192243621354411 Energy: 0.5192243621354411 Energy: 0.6075203990090009 Energy: 0.5546999938858909 Energy: 0.5546999938858909 Energy: 0.5133916240727546 Energy: 0.541841548126167 Energy: 0.541841548126167 Energy: 0.5354385579679914 Energy: 0.5133916312017716 Energy: 0.5133916312003917 Energy: 0.51921008432188 Energy: 0.5261535387350332 Energy: 0.5261535387350332 Energy: 0.5133916249340631 Energy: 0.5792444591993486 Energy: 0.5792444591986589 minimum gb energy = 0.5133916240727546 eV minimum distance = 2.55810939741312 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5371466248515349 Energy: 0.5227605470896056 Energy: 0.5227605470896056 Energy: 0.6256946628454187 Energy: 0.598290451432166 Energy: 0.598290451432166 Energy: 0.5316453518058699 Energy: 0.5552940762843223 Energy: 0.5552940762843223 Energy: 0.5117918433306193 Energy: 0.6153645212746675 Energy: 0.6153645212746675 Energy: 0.619188018216687 Energy: 0.5510300312574572 Energy: 0.5510300312579383 Energy: 0.5117697114476816 Energy: 0.6079172865991043 Energy: 0.6079172876718963 Energy: 0.5316992270606169 Energy: 0.5424135547627036 Energy: 0.5424135547631846 Energy: 0.5751467618555577 Energy: 0.56195580924992 Energy: 0.56195580924992 Energy: 0.5371174528089067 Energy: 0.5227468821022366 Energy: 0.5227468821027177 Energy: 0.6199528287725325 Energy: 0.5469909004582836 Energy: 0.5469909004582836 minimum gb energy = 0.5117697114476816 eV minimum distance = 2.55570918600327 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5753739679214414 Energy: 0.5506216193135111 Energy: 0.5506216190381737 Energy: 0.5219896919901196 Energy: 0.6010128888061931 Energy: 0.6010128888061931 Energy: 0.537650471729196 Energy: 0.5737702225015411 Energy: 0.5737702225015411 Energy: 0.5340743778043805 Energy: 0.5415993650891319 Energy: 0.5415993650887626 Energy: 0.6078282414511242 Energy: 0.5422359093790533 Energy: 0.5422359093864386 Energy: 0.5340465673107341 Energy: 0.5416020237513844 Energy: 0.5416020237513844 Energy: 0.537157464912497 Energy: 0.5737428877367025 Energy: 0.5737428877367025 Energy: 0.5219840985285764 Energy: 0.6009913828416635 Energy: 0.6009913828416635 Energy: 0.5751843904226277 Energy: 0.5506216024367598 Energy: 0.5506216024367598 Energy: 0.5219916181481623 Energy: 0.6009639418576599 Energy: 0.6009639418576599 minimum gb energy = 0.5219840985285764 eV minimum distance = 2.49782146727621 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5000565764721557 Energy: 0.5000566123320487 Energy: 0.5000565722317674 Energy: 0.5685231081903106 Energy: 0.5039548887245487 Energy: 0.503954888661054 Energy: 0.5110358743567431 Energy: 0.524970043421952 Energy: 0.524970043421952 Energy: 0.5837040853600436 Energy: 0.5039548887340782 Energy: 0.5039548887118425 Energy: 0.5000565727762908 Energy: 0.5000565737875847 Energy: 0.500056573366874 Energy: 0.5685124725437796 Energy: 0.5039548888451848 Energy: 0.5039548888721854 Energy: 0.5042199450660008 Energy: 0.524948221492041 Energy: 0.524948221492041 Energy: 0.5837040703845476 Energy: 0.534152481633189 Energy: 0.534152481633189 Energy: 0.5000565722254142 Energy: 0.5000565838432022 Energy: 0.5000565727969383 Energy: 0.569660786638726 Energy: 0.5383243420008536 Energy: 0.5383243420008536 minimum gb energy = 0.5000565722254142 eV minimum distance = 2.54567912704334 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5776732628216347 Energy: 0.5554058067650598 Energy: 0.5554058067653976 Energy: 0.6312951311613851 Energy: 0.5700305315712214 Energy: 0.5700305315712214 Energy: 0.5469035814970491 Energy: 0.573931225395937 Energy: 0.573931225395937 Energy: 0.546817179632015 Energy: 0.5550167733043461 Energy: 0.5550167733043461 Energy: 0.548519385397088 Energy: 0.5831857386538529 Energy: 0.5831857386541908 Energy: 0.5484911400407061 Energy: 0.5708485327438491 Energy: 0.5708485327438491 Energy: 0.6519399961984516 Energy: 0.579401311603729 Energy: 0.579401311603729 Energy: 0.5550128745805855 Energy: 0.5824708303047808 Energy: 0.5824708303054564 Energy: 0.6390760937769397 Energy: 0.5561384552522063 Energy: 0.5561384552518686 Energy: 0.5485092892144663 Energy: 0.5747914969338499 Energy: 0.5747914969338499 minimum gb energy = 0.546817179632015 eV minimum distance = 2.52714297653361 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5882166288179133 Energy: 0.564572428718016 Energy: 0.564572428718016 Energy: 0.5371010754520971 Energy: 0.5652461048941042 Energy: 0.5652461048941042 Energy: 0.5348887070002744 Energy: 0.5672862088765506 Energy: 0.5672862088769796 Energy: 0.5244743254152111 Energy: 0.5833737400054022 Energy: 0.5833737400054022 Energy: 0.5557139445155984 Energy: 0.5676511652438526 Energy: 0.5676511652434236 Energy: 0.585132092515 Energy: 0.5604050330886037 Energy: 0.5604050330971857 Energy: 0.635993389156209 Energy: 0.5323034665633969 Energy: 0.5323034665633969 Energy: 0.608632789628548 Energy: 0.5291416428118771 Energy: 0.5291416428118771 Energy: 0.6098096007743817 Energy: 0.5698388376293312 Energy: 0.5698388376293312 Energy: 0.5921574671372778 Energy: 0.5733269495636599 Energy: 0.5733269495636599 minimum gb energy = 0.5244743254152111 eV minimum distance = 2.51407323932513 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.548796628259982 Energy: 0.5854174477343036 Energy: 0.5854156214069441 Energy: 0.6276061581084222 Energy: 0.5365835687870152 Energy: 0.5365835687870152 Energy: 0.578086625326481 Energy: 0.6166079187335085 Energy: 0.6166079187252786 Energy: 0.5364227393253381 Energy: 0.5675315652944013 Energy: 0.5675315652944013 Energy: 0.578002864209185 Energy: 0.5831304009105128 Energy: 0.5831304009099251 Energy: 0.5363594565577838 Energy: 0.6081571036690702 Energy: 0.6081571036690702 Energy: 0.6632889488586838 Energy: 0.6036101368555601 Energy: 0.6036101368555601 Energy: 0.5363956628841376 Energy: 0.5794412300512115 Energy: 0.5794412300512115 Energy: 0.5951894767660826 Energy: 0.569279324106888 Energy: 0.569279324106888 Energy: 0.5364149399509324 Energy: 0.5692396778216694 Energy: 0.5692396778216694 minimum gb energy = 0.5363594565577838 eV minimum distance = 2.51184673901507 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5889450061285 Energy: 0.5689523881023278 Energy: 0.5689523881023278 Energy: 0.5582982853136773 Energy: 0.58335098789734 Energy: 0.58335098789734 Energy: 0.557461361070736 Energy: 0.5587803815799772 Energy: 0.5587803815799772 Energy: 0.5435411152809054 Energy: 0.5689524084663355 Energy: 0.5689524064309576 Energy: 0.5722159781220466 Energy: 0.6043735503933383 Energy: 0.6043735503933383 Energy: 0.5385963643763708 Energy: 0.5407033812339007 Energy: 0.5407033812339007 Energy: 0.5375693968462995 Energy: 0.5974706810592502 Energy: 0.5974706810592502 Energy: 0.5505141698900041 Energy: 0.6002890869522066 Energy: 0.6002890869529278 Energy: 0.5524175493009231 Energy: 0.5407081289051284 Energy: 0.5407081289054891 Energy: 0.5375337919862191 Energy: 0.6052792443938094 Energy: 0.6052792443934486 minimum gb energy = 0.5375337919862191 eV minimum distance = 2.53730143819348 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5782447178439365 Energy: 0.5642575235169728 Energy: 0.5642575235169728 Energy: 0.5376889800207124 Energy: 0.5703969804578053 Energy: 0.5703969804578053 Energy: 0.5459728041953731 Energy: 0.5849358744711276 Energy: 0.5849358744711276 Energy: 0.5348810159710187 Energy: 0.5375957189542833 Energy: 0.5375957189542833 Energy: 0.6363000768757364 Energy: 0.5413656221266631 Energy: 0.5413656221266631 Energy: 0.5970809128668957 Energy: 0.5556951834246057 Energy: 0.5556951835178296 Energy: 0.5803555515835396 Energy: 0.5402717096129687 Energy: 0.5402717096129687 Energy: 0.567080203786223 Energy: 0.5412339788890623 Energy: 0.5412339788890623 Energy: 0.5696156982219339 Energy: 0.604933843230232 Energy: 0.604933843230232 Energy: 0.5303186922588515 Energy: 0.5875949910749801 Energy: 0.5875949910749801 minimum gb energy = 0.5303186922588515 eV minimum distance = 2.51031169804542 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5581592064993638 Energy: 0.5452031110070769 Energy: 0.5452031110070769 Energy: 0.5409061792964532 Energy: 0.5917049898722015 Energy: 0.5917049898725878 Energy: 0.6224313995886936 Energy: 0.5401935156387212 Energy: 0.5401935156387212 Energy: 0.5443360436283464 Energy: 0.598663555395381 Energy: 0.5986635553957671 Energy: 0.540196691422971 Energy: 0.5734813537203306 Energy: 0.5734813537203306 Energy: 0.5412077237839866 Energy: 0.5970091676214512 Energy: 0.5970091676218375 Energy: 0.540275368923773 Energy: 0.5507122882041 Energy: 0.5507122882041 Energy: 0.6334766025055186 Energy: 0.5446584700235082 Energy: 0.544658470023122 Energy: 0.5402858643619071 Energy: 0.6073838886129647 Energy: 0.6073838886129647 Energy: 0.5401484615547305 Energy: 0.5960287745154699 Energy: 0.5960287745154699 minimum gb energy = 0.5401484615547305 eV minimum distance = 2.50893572041874 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5556096448000662 Energy: 0.5469536033018253 Energy: 0.5469536033018253 Energy: 0.5439669948679147 Energy: 0.5486044980242712 Energy: 0.5486044980242712 Energy: 0.5911608415643379 Energy: 0.5535564883284803 Energy: 0.5535564883284803 Energy: 0.539358963404517 Energy: 0.553520117956868 Energy: 0.553520117956868 Energy: 0.5529324694372562 Energy: 0.5538677474220456 Energy: 0.5538677473396388 Energy: 0.6020576007575428 Energy: 0.5442348306907765 Energy: 0.544234830691436 Energy: 0.5389343383405792 Energy: 0.6045750862159368 Energy: 0.6045750862159368 Energy: 0.5405410834805655 Energy: 0.5983567700165155 Energy: 0.5983567700165155 Energy: 0.6407027981661308 Energy: 0.5463305315911822 Energy: 0.5463342921180362 Energy: 0.5389036720925158 Energy: 0.5911726656479013 Energy: 0.5911726656479013 minimum gb energy = 0.5389036720925158 eV minimum distance = 2.50651436759663 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5610811901383078 Energy: 0.5566674029569469 Energy: 0.5566674029569469 Energy: 0.5461810100356246 Energy: 0.5917770192978297 Energy: 0.5917770192978297 Energy: 0.5665684049305948 Energy: 0.5456550970794888 Energy: 0.5456550970794888 Energy: 0.54950274393393 Energy: 0.5968163894983353 Energy: 0.5968163894978253 Energy: 0.5458628001875828 Energy: 0.5522279782990501 Energy: 0.5522279782684524 Energy: 0.5644807869809123 Energy: 0.5494925348008615 Energy: 0.5494925348013714 Energy: 0.5535420578070238 Energy: 0.552354301797261 Energy: 0.5523543017926713 Energy: 0.5458457097343984 Energy: 0.5977351486559558 Energy: 0.5977351509696084 Energy: 0.5549515183997992 Energy: 0.5930318448892515 Energy: 0.5930318448892515 Energy: 0.6566913229110939 Energy: 0.5769613938144486 Energy: 0.5769613938144486 minimum gb energy = 0.5456550970794888 eV minimum distance = 2.51567823491213 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.556813005258916 Energy: 0.5536470149463537 Energy: 0.5536470149467694 Energy: 0.5405911140357973 Energy: 0.5866804046545937 Energy: 0.5866804046753584 Energy: 0.5430455985505959 Energy: 0.5821835978436657 Energy: 0.58218359784325 Energy: 0.5363037817365727 Energy: 0.5799233269391992 Energy: 0.5799233269391992 Energy: 0.6243328793772229 Energy: 0.5409112055283294 Energy: 0.5409112055283294 Energy: 0.5804211176996362 Energy: 0.5496159352186044 Energy: 0.5496159352190201 Energy: 0.5406091167682828 Energy: 0.549651603040624 Energy: 0.549651603040624 Energy: 0.540570163104494 Energy: 0.5480362480866315 Energy: 0.5480362480866315 Energy: 0.5373097379909844 Energy: 0.6124097069473885 Energy: 0.6124097069473885 Energy: 0.540913823080565 Energy: 0.5506422616369329 Energy: 0.5506422616369329 minimum gb energy = 0.5363037817365727 eV minimum distance = 2.51226292278932 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5559327636570003 Energy: 0.5555380501877362 Energy: 0.5555380501877362 Energy: 0.6273932847307302 Energy: 0.5447383949483005 Energy: 0.5447383949483005 Energy: 0.540319223364884 Energy: 0.5801202273931189 Energy: 0.5801202273931189 Energy: 0.6231108094341725 Energy: 0.5421858653714644 Energy: 0.5421858653714644 Energy: 0.540713549538708 Energy: 0.5831949977000777 Energy: 0.5831949977000777 Energy: 0.5487457786103324 Energy: 0.5438797846004095 Energy: 0.5438797846007604 Energy: 0.5372745064264351 Energy: 0.5977178659060846 Energy: 0.5977178659060846 Energy: 0.538930755346214 Energy: 0.5482652864361099 Energy: 0.5482652864361099 Energy: 0.5406997369985123 Energy: 0.5500607981779455 Energy: 0.5500607981782962 Energy: 0.5478060309953855 Energy: 0.543938074405808 Energy: 0.543938074405808 minimum gb energy = 0.5372745064264351 eV minimum distance = 2.50537291008593 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5557214801333785 Energy: 0.5569360099623902 Energy: 0.5569360099623902 Energy: 0.5460490705331527 Energy: 0.5829156876375096 Energy: 0.5829156876375096 Energy: 0.541581309388457 Energy: 0.581124340110089 Energy: 0.5811243401103923 Energy: 0.540003424240992 Energy: 0.5744855495706089 Energy: 0.5744855495709122 Energy: 0.5375797758198142 Energy: 0.542569400866638 Energy: 0.542569400866638 Energy: 0.5447476391927805 Energy: 0.5425768589922357 Energy: 0.5425768589925393 Energy: 0.5636495101637286 Energy: 0.544820393869827 Energy: 0.544820393869827 Energy: 0.5787671640044956 Energy: 0.5497223576627512 Energy: 0.549722357662448 Energy: 0.5415042481545517 Energy: 0.5497223731986773 Energy: 0.5497223731986773 Energy: 0.54901138156645 Energy: 0.5426048691343526 Energy: 0.5426048691343526 minimum gb energy = 0.5375797758198142 eV minimum distance = 2.50862356494297 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5378774683542529 Energy: 0.524917224526415 Energy: 0.524917664617211 Energy: 0.5175115936371008 Energy: 0.5378774679536977 Energy: 0.5378774679620187 Energy: 0.524707771104927 Energy: 0.538794337803349 Energy: 0.5387943378311706 Energy: 0.5378774679635757 Energy: 0.5175528113949698 Energy: 0.5175524289004635 Energy: 0.532248633193481 Energy: 0.5378774689878206 Energy: 0.5378774679530341 Energy: 0.5322486301454541 Energy: 0.5387943414483415 Energy: 0.5387943361852524 Energy: 0.5208326754680932 Energy: 0.5695345425191563 Energy: 0.5695345444039577 Energy: 0.5322486301791464 Energy: 0.5378774679674044 Energy: 0.5378774679732494 Energy: 0.5322486357697906 Energy: 0.537877468030501 Energy: 0.5378774679525746 Energy: 0.5175530571694789 Energy: 0.5661770319506646 Energy: 0.5661770319506646 minimum gb energy = 0.5175115936371008 eV minimum distance = 2.54706266297202 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5336935867074843 Energy: 0.5416607182805332 Energy: 0.5416607182805332 Energy: 0.5238492259835691 Energy: 0.5585258740884823 Energy: 0.5585258740881868 Energy: 0.5184168007730624 Energy: 0.5454090975290904 Energy: 0.5454090975287951 Energy: 0.5185638657448972 Energy: 0.5201827958690951 Energy: 0.5201827958687997 Energy: 0.5702638415586706 Energy: 0.5173884206312541 Energy: 0.5173884206306633 Energy: 0.571466641419516 Energy: 0.517821852232985 Energy: 0.517821852232985 Energy: 0.5177300802028524 Energy: 0.5320128639422792 Energy: 0.5320128639422792 Energy: 0.517732891627689 Energy: 0.5280800403027224 Energy: 0.5280800403027224 Energy: 0.515680748506158 Energy: 0.5292922632335807 Energy: 0.5292922632338762 Energy: 0.5156969879681635 Energy: 0.5870268032923915 Energy: 0.5870268023125651 minimum gb energy = 0.515680748506158 eV minimum distance = 2.5437790570837 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5307463113216596 Energy: 0.5385692897848458 Energy: 0.5385692897848458 Energy: 0.5186652528418545 Energy: 0.5189163190000691 Energy: 0.518913019917599 Energy: 0.5254619799388709 Energy: 0.5143367347512767 Energy: 0.5143367347512767 Energy: 0.513444268040872 Energy: 0.5280826725842077 Energy: 0.5280826725842077 Energy: 0.5109106440442179 Energy: 0.5608704092454356 Energy: 0.5608704092454356 Energy: 0.5967185267446702 Energy: 0.5257011227444072 Energy: 0.5257011227444072 Energy: 0.513035083318802 Energy: 0.5235118922519052 Energy: 0.5235118922519052 Energy: 0.5130389359929288 Energy: 0.5253333138893335 Energy: 0.5253333138893335 Energy: 0.5129951254288747 Energy: 0.5235010666071426 Energy: 0.5235010666071426 Energy: 0.5181023628151701 Energy: 0.5187594643640339 Energy: 0.518759464364374 minimum gb energy = 0.5109106440442179 eV minimum distance = 2.53025980460119 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5273703741375056 Energy: 0.5345288839422154 Energy: 0.5345288839422154 Energy: 0.5048761507953534 Energy: 0.51120499568832 Energy: 0.51120499568832 Energy: 0.50518228516626 Energy: 0.5119267253654929 Energy: 0.5119267253650921 Energy: 0.517613806804896 Energy: 0.5412330717072203 Energy: 0.5412330717072203 Energy: 0.5068702224197095 Energy: 0.5284588894449772 Energy: 0.5284588894445763 Energy: 0.5294224385531747 Energy: 0.5126355148865613 Energy: 0.5126355148865613 Energy: 0.5130357069285486 Energy: 0.5192612762591672 Energy: 0.5192612762591672 Energy: 0.5028215465581344 Energy: 0.5667719001672994 Energy: 0.5667719001672994 Energy: 0.5065450697536005 Energy: 0.5175849404307317 Energy: 0.5175849404307317 Energy: 0.5069476668302346 Energy: 0.5159831363029197 Energy: 0.5159831363029197 minimum gb energy = 0.5028215465581344 eV minimum distance = 2.51621051047138 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.523417066789678 Energy: 0.5284310009138233 Energy: 0.5284309990818559 Energy: 0.5052061770451569 Energy: 0.5161001800031407 Energy: 0.5161001800031407 Energy: 0.5026605566472532 Energy: 0.513017449617981 Energy: 0.513017449617981 Energy: 0.5053003977521269 Energy: 0.5241260676972833 Energy: 0.5241260676972833 Energy: 0.5736842392991148 Energy: 0.50930563941954 Energy: 0.50930563941954 Energy: 0.5707914498073603 Energy: 0.4971896845243078 Energy: 0.4971896845243078 Energy: 0.5167294414387357 Energy: 0.5026817912024695 Energy: 0.5026817912024695 Energy: 0.4960038790847742 Energy: 0.5093025219508925 Energy: 0.509302518848675 Energy: 0.5039241451418867 Energy: 0.5130002376329849 Energy: 0.5130002376329849 Energy: 0.5054985177834281 Energy: 0.5541662710348005 Energy: 0.5541662710352884 minimum gb energy = 0.4960038790847742 eV minimum distance = 2.53482527152557 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5087055129331088 Energy: 0.5101065300204338 Energy: 0.5101065300204338 Energy: 0.49938959459209126 Energy: 0.49811197969442106 Energy: 0.49811197969442106 Energy: 0.498954765029651 Energy: 0.5113386176776236 Energy: 0.5113386176788696 Energy: 0.583326077390515 Energy: 0.4903601921879576 Energy: 0.4903601921885806 Energy: 0.49036875718807554 Energy: 0.5558839498986603 Energy: 0.5558839498986603 Energy: 0.5030571375626072 Energy: 0.5078326815332376 Energy: 0.5078326815332376 Energy: 0.49036876627939124 Energy: 0.5128607363819749 Energy: 0.5128607363825979 Energy: 0.4978479818176177 Energy: 0.5092503428108471 Energy: 0.5092503428108471 Energy: 0.4903499116351221 Energy: 0.5093245772214597 Energy: 0.5093245807147653 Energy: 0.5549039088964218 Energy: 0.49036660341347776 Energy: 0.49036660341347776 minimum gb energy = 0.4903499116351221 eV minimum distance = 2.53292376412219 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5159848199086905 Energy: 0.5045122933500293 Energy: 0.5045122933500293 Energy: 0.4924362154945645 Energy: 0.5008885965488666 Energy: 0.5008885965488666 Energy: 0.4841339856638718 Energy: 0.5027131445069485 Energy: 0.5027131445073101 Energy: 0.4970189992896804 Energy: 0.49530473211473075 Energy: 0.49530473211473075 Energy: 0.526404875111039 Energy: 0.4874303712174278 Energy: 0.4874303712174278 Energy: 0.4822294135214782 Energy: 0.5916796767381952 Energy: 0.5916796767017136 Energy: 0.5472686131544013 Energy: 0.49234394975694507 Energy: 0.49234394975694507 Energy: 0.48222775084412306 Energy: 0.5114797798501425 Energy: 0.5114797798501425 Energy: 0.4814144780538406 Energy: 0.4969880029341622 Energy: 0.49698800292873924 Energy: 0.5157622376509139 Energy: 0.49861059217926 Energy: 0.49861059217926 minimum gb energy = 0.4814144780538406 eV minimum distance = 2.50849752249441 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.4933350406936293 Energy: 0.4933350462004383 Energy: 0.4933350462012996 Energy: 0.45876816474324195 Energy: 0.5143390278183638 Energy: 0.5143390278183638 Energy: 0.4607858440547513 Energy: 0.518819781871842 Energy: 0.518819781871842 Energy: 0.458761373488714 Energy: 0.4707473328984535 Energy: 0.47067682034850195 Energy: 0.49357275883074503 Energy: 0.49409791368115497 Energy: 0.49409791123599 Energy: 0.47165417225427736 Energy: 0.47303160306952124 Energy: 0.4730316030703826 Energy: 0.47563069227048965 Energy: 0.4706992862073974 Energy: 0.47074285844053 Energy: 0.49365175310795856 Energy: 0.472432254147992 Energy: 0.47243225414626927 Energy: 0.45875700996597846 Energy: 0.5278936662957773 Energy: 0.5278936660684761 Energy: 0.4604454007391538 Energy: 0.5175163344002417 Energy: 0.5175163344002417 minimum gb energy = 0.45875700996597846 eV minimum distance = 2.52090795454451 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.4971276669560031 Energy: 0.48518779498738257 Energy: 0.48518779498738257 Energy: 0.4672242300238263 Energy: 0.5148800901167827 Energy: 0.5148800901167827 Energy: 0.46583831200296955 Energy: 0.4834150887434171 Energy: 0.4834150887434171 Energy: 0.5281190901364556 Energy: 0.47998951000190576 Energy: 0.47998951000190576 Energy: 0.5151507086955768 Energy: 0.46936402333412913 Energy: 0.46936402333445815 Energy: 0.4678347301070752 Energy: 0.49112379920902893 Energy: 0.49112379920869986 Energy: 0.4909733885456936 Energy: 0.4782185463280185 Energy: 0.4782185463283476 Energy: 0.46295364668392774 Energy: 0.485887550313275 Energy: 0.485887550313275 Energy: 0.46858566403839685 Energy: 0.5609710939657411 Energy: 0.5609710939657411 Energy: 0.467209038318605 Energy: 0.5917188481934511 Energy: 0.5917188481934511 minimum gb energy = 0.46295364668392774 eV minimum distance = 2.54160141028007 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.48713658616193634 Energy: 0.4644983225251025 Energy: 0.46449832267305824 Energy: 0.45955560632077774 Energy: 0.48707733320550994 Energy: 0.48707733320550994 Energy: 0.4812665679164737 Energy: 0.47253858327455434 Energy: 0.4725385832404815 Energy: 0.4697394758148893 Energy: 0.4678053975879752 Energy: 0.46780539758691037 Energy: 0.46556556667314114 Energy: 0.4799498816392344 Energy: 0.479949881638702 Energy: 0.47255928504665057 Energy: 0.47808972259497556 Energy: 0.47808972259231364 Energy: 0.4645179265804505 Energy: 0.47996147056710015 Energy: 0.4799614705676325 Energy: 0.5494103208621827 Energy: 0.46983553929611194 Energy: 0.46983553929557953 Energy: 0.459577224033144 Energy: 0.4757902146732355 Energy: 0.47579021467270316 Energy: 0.45955742937673055 Energy: 0.46558129770195195 Energy: 0.46558129770195195 minimum gb energy = 0.45955560632077774 eV minimum distance = 2.52704869371968 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5119366807431036 Energy: 0.4627933010560801 Energy: 0.4627933010560801 Energy: 0.4601156536609177 Energy: 0.4734388551718938 Energy: 0.4734388551715086 Energy: 0.46822481926119536 Energy: 0.4958339612749283 Energy: 0.49583396127531354 Energy: 0.5043063440304923 Energy: 0.46064456738685966 Energy: 0.46064456738685966 Energy: 0.4572476650546051 Energy: 0.5798968001855546 Energy: 0.5798968001855546 Energy: 0.5557576056105468 Energy: 0.45632695030695003 Energy: 0.45632695030695003 Energy: 0.45523972227338927 Energy: 0.45954094018515335 Energy: 0.4595409401866942 Energy: 0.4727256108058747 Energy: 0.4622847341708932 Energy: 0.4622847341708932 Energy: 0.45523308510817195 Energy: 0.45953603549362354 Energy: 0.45953603549362354 Energy: 0.5544368912315514 Energy: 0.46391458824298815 Energy: 0.46391458824260295 minimum gb energy = 0.45523308510817195 eV minimum distance = 2.52691224732919 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.50148321787667 Energy: 0.5678855243623837 Energy: 0.5678855243623837 Energy: 0.4513671629403361 Energy: 0.5190103933579696 Energy: 0.519010393357668 Energy: 0.44791342930049827 Energy: 0.4637099420013492 Energy: 0.4637099420013492 Energy: 0.46842908695620944 Energy: 0.4586882096740316 Energy: 0.4586850403392013 Energy: 0.4576454337387699 Energy: 0.45934095182720386 Energy: 0.45934095182720386 Energy: 0.4503596177278435 Energy: 0.5287646052987747 Energy: 0.5287646052981712 Energy: 0.46205138312028055 Energy: 0.4944018493256829 Energy: 0.4944018493256829 Energy: 0.454107171111847 Energy: 0.47267816131425044 Energy: 0.47267816131425044 Energy: 0.4465044116661569 Energy: 0.4719916726317994 Energy: 0.4719916726317994 Energy: 0.4982229034835775 Energy: 0.45848501612566656 Energy: 0.45848501612566656 minimum gb energy = 0.4465044116661569 eV minimum distance = 2.52271520670808 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4302227850309051 Energy: 0.43022283003000705 Energy: 0.43022283050202953 Energy: 0.4309335111812552 Energy: 0.4315876647276289 Energy: 0.43160412272019955 Energy: 0.4215362438042506 Energy: 0.4463735940019907 Energy: 0.4463735920289909 Energy: 0.4335161432600838 Energy: 0.44637359415515776 Energy: 0.44637359415515776 Energy: 0.4335161928902741 Energy: 0.44745571822111097 Energy: 0.44745571822111097 Energy: 0.615019001443592 Energy: 0.4336140388946492 Energy: 0.4336140388946492 Energy: 0.43549930402744685 Energy: 0.43446463409329195 Energy: 0.434464634097471 Energy: 0.4315894042986134 Energy: 0.5084461233251129 Energy: 0.5084461233249703 Energy: 0.430933542497388 Energy: 0.44637359361769585 Energy: 0.4463735935842796 Energy: 0.43093350653346657 Energy: 0.4474557194867815 Energy: 0.44745571964412767 minimum gb energy = 0.4215362438042506 eV minimum distance = 2.55903879892706 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5247225446923405 Energy: 0.4203245310860175 Energy: 0.4203245310853822 Energy: 0.4149337004501043 Energy: 0.4769882382307823 Energy: 0.4769882382307823 Energy: 0.429524273448156 Energy: 0.5099338991381906 Energy: 0.5099338991378729 Energy: 0.41441411358567026 Energy: 0.4331184007128765 Energy: 0.4331184007062058 Energy: 0.41981005713582703 Energy: 0.42801413914263137 Energy: 0.42801413914263137 Energy: 0.41473017510847 Energy: 0.4770024233421929 Energy: 0.4770024233428281 Energy: 0.4114564668053435 Energy: 0.4251187473202147 Energy: 0.4251187425162508 Energy: 0.43452131393527405 Energy: 0.41895512668111135 Energy: 0.41895512668015833 Energy: 0.4721253273534649 Energy: 0.42511264966544743 Energy: 0.4251126496651298 Energy: 0.4843919750349119 Energy: 0.4201223174080851 Energy: 0.4201223174080851 minimum gb energy = 0.4114564668053435 eV minimum distance = 2.52873855979337 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.43955748971373915 Energy: 0.5819782947839388 Energy: 0.5819782947839388 Energy: 0.4043503771071031 Energy: 0.42753030113183155 Energy: 0.42753030120668045 Energy: 0.41788506069476244 Energy: 0.42015690664237265 Energy: 0.42015690664237265 Energy: 0.4053398223386594 Energy: 0.4625322563238855 Energy: 0.4625322563238855 Energy: 0.5257763910675993 Energy: 0.4131216056842253 Energy: 0.4131216056842253 Energy: 0.4179029610663108 Energy: 0.42812769995376876 Energy: 0.42812769995418026 Energy: 0.4072444772955326 Energy: 0.4126823455811109 Energy: 0.4126823455811109 Energy: 0.4721052611165456 Energy: 0.41606436263620533 Energy: 0.4160643640592315 Energy: 0.4136096922373845 Energy: 0.4227834092283557 Energy: 0.4227834092279443 Energy: 0.4053435785711783 Energy: 0.4275303017615009 Energy: 0.4275303017615009 minimum gb energy = 0.4043503771071031 eV minimum distance = 2.52730868271463 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.41981830054134595 Energy: 0.4032942253823588 Energy: 0.4032942253823588 Energy: 0.38973073983289186 Energy: 0.4079991426319104 Energy: 0.40799914252511726 Energy: 0.38945098598103556 Energy: 0.4079993414247277 Energy: 0.4079993255181219 Energy: 0.40329313819345386 Energy: 0.41070398489454596 Energy: 0.4107039848951298 Energy: 0.4780925733844143 Energy: 0.41074381224404954 Energy: 0.4107438122434657 Energy: 0.3894443375486707 Energy: 0.40799944125883175 Energy: 0.40799944125124155 Energy: 0.40464525481310737 Energy: 0.43403211682149073 Energy: 0.43403211682149073 Energy: 0.5527586534733994 Energy: 0.4107293598969665 Energy: 0.4107293598975504 Energy: 0.3999690416860714 Energy: 0.40114126092878893 Energy: 0.40114126092878893 Energy: 0.4046444360795914 Energy: 0.43287874397708354 Energy: 0.4328787440331075 minimum gb energy = 0.3894443375486707 eV minimum distance = 2.55699059184315 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5113971708712673 Energy: 0.5595566921007751 Energy: 0.5595566921007751 Energy: 0.37767310543973864 Energy: 0.3990999337926177 Energy: 0.39909993514869285 Energy: 0.38738343479719856 Energy: 0.45489283070350905 Energy: 0.45489283070387837 Energy: 0.388345560655749 Energy: 0.48965460690851387 Energy: 0.48965460690851387 Energy: 0.3813606234560833 Energy: 0.3949240264663976 Energy: 0.3949240264667669 Energy: 0.5020153314006292 Energy: 0.4013450560839096 Energy: 0.4013450560839096 Energy: 0.389911729513587 Energy: 0.4013635436976151 Energy: 0.4013635436924454 Energy: 0.581941952149177 Energy: 0.39022237062635384 Energy: 0.39022237062635384 Energy: 0.3884195993640895 Energy: 0.40821476019550634 Energy: 0.40821476019587566 Energy: 0.3874020686210271 Energy: 0.42671179033501305 Energy: 0.42671179033501305 minimum gb energy = 0.37767310543973864 eV minimum distance = 2.54694781159823 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.48197608388144164 Energy: 0.39091143737007433 Energy: 0.39091143737007433 Energy: 0.3780724787935794 Energy: 0.3968814152725927 Energy: 0.3968814152725927 Energy: 0.471681864966076 Energy: 0.39584488637509246 Energy: 0.3958448863756325 Energy: 0.3887142097432301 Energy: 0.47350604368912014 Energy: 0.47350604368912014 Energy: 0.38610074582945947 Energy: 0.38751119038413107 Energy: 0.38751119038413107 Energy: 0.3873736602785278 Energy: 0.3915226614666234 Energy: 0.39152266146691805 Energy: 0.3855168503995926 Energy: 0.39143694153220965 Energy: 0.39143694152597475 Energy: 0.46487572888382517 Energy: 0.3921548486362583 Energy: 0.3921548486359637 Energy: 0.38850202577117915 Energy: 0.39189081175234236 Energy: 0.39189081175234236 Energy: 0.47168900256442753 Energy: 0.39582452500996296 Energy: 0.39582452501020843 minimum gb energy = 0.3780724787935794 eV minimum distance = 2.52444347537469 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4600699078087546 Energy: 0.3712039475058364 Energy: 0.3712039475058364 Energy: 0.376599282780801 Energy: 0.4455570839351165 Energy: 0.4455570839351165 Energy: 0.3652939361482467 Energy: 0.370391379608029 Energy: 0.370391379608029 Energy: 0.37150573182243596 Energy: 0.42949128594423364 Energy: 0.42949128594423364 Energy: 0.3605248792871712 Energy: 0.41917411157334156 Energy: 0.41917411157334156 Energy: 0.3721448529413866 Energy: 0.3824155164258794 Energy: 0.382415516274267 Energy: 0.4350694215755495 Energy: 0.42516999291400204 Energy: 0.42516999289293017 Energy: 0.4595050294888073 Energy: 0.38241551733756285 Energy: 0.382415516274267 Energy: 0.43507826306681624 Energy: 0.3824155181277692 Energy: 0.3824155181277692 Energy: 0.36527165775376924 Energy: 0.3824155162792895 Energy: 0.3824155162792895 minimum gb energy = 0.3605248792871712 eV minimum distance = 2.56624389045827 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4614495947800119 Energy: 0.36409710088270725 Energy: 0.36409710088240105 Energy: 0.35152474024810876 Energy: 0.3675955606348486 Energy: 0.3675955616198514 Energy: 0.3656117963436036 Energy: 0.35915014950570434 Energy: 0.35915014950570434 Energy: 0.3463733268822588 Energy: 0.4093702794001024 Energy: 0.4093702794001024 Energy: 0.3551994381929101 Energy: 0.44671863646264043 Energy: 0.4467186364611092 Energy: 0.36759555606517225 Energy: 0.35935534430491745 Energy: 0.35935534430430494 Energy: 0.34523919791997515 Energy: 0.36577551323381113 Energy: 0.36577551323411733 Energy: 0.5976943113282718 Energy: 0.356661541730319 Energy: 0.356661541730319 Energy: 0.34959275066457357 Energy: 0.41206873134053434 Energy: 0.41206873134298416 Energy: 0.3537590448570368 Energy: 0.44832745649640626 Energy: 0.44832745649609995 minimum gb energy = 0.34523919791997515 eV minimum distance = 2.52763176277985 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.48724273169720156 Energy: 0.3568275708295955 Energy: 0.3568275708295955 Energy: 0.33976545825538373 Energy: 0.3656119924410291 Energy: 0.3656119924463152 Energy: 0.32698197555485514 Energy: 0.35027506811486026 Energy: 0.35027506811486026 Energy: 0.3521896537942788 Energy: 0.3573987443300925 Energy: 0.35739874432965196 Energy: 0.35211832310157476 Energy: 0.3648390487926672 Energy: 0.36483904879222673 Energy: 0.3401479682121899 Energy: 0.3658061988378244 Energy: 0.3658061988378244 Energy: 0.34165866369044573 Energy: 0.34172635457573347 Energy: 0.341726354575293 Energy: 0.48647579333803576 Energy: 0.35738531278524804 Energy: 0.3573853127856886 Energy: 0.34018603333697317 Energy: 0.4038413225606705 Energy: 0.4038413225606705 Energy: 0.34014685711409914 Energy: 0.4332754682452338 Energy: 0.4332754682452338 minimum gb energy = 0.32698197555485514 eV minimum distance = 2.54171010080202 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5117997506161214 Energy: 0.3466698807726352 Energy: 0.34666988077289174 Energy: 0.326857119065906 Energy: 0.34705437324870003 Energy: 0.3470543778290397 Energy: 0.3426841316424101 Energy: 0.45272486310694293 Energy: 0.45272486310694293 Energy: 0.33867935399271626 Energy: 0.3371291775563565 Energy: 0.3371291775563565 Energy: 0.3383365435226534 Energy: 0.4285355539339978 Energy: 0.42853555393343357 Energy: 0.4240428331648101 Energy: 0.33942627507121953 Energy: 0.33942627507121953 Energy: 0.33788784536739197 Energy: 0.34418881774963345 Energy: 0.3441888177425554 Energy: 0.5707312342442733 Energy: 0.33940951804206404 Energy: 0.33940951804262826 Energy: 0.3378878432258346 Energy: 0.425765401860571 Energy: 0.425765401860571 Energy: 0.4138168281189768 Energy: 0.3392507390307636 Energy: 0.3392507390310713 minimum gb energy = 0.326857119065906 eV minimum distance = 2.53428789234575 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.40607918070414895 Energy: 0.3668232333360643 Energy: 0.3668232333360643 Energy: 0.38431667907750566 Energy: 0.3405204610413389 Energy: 0.3405204610413389 Energy: 0.3836363525928742 Energy: 0.33016975335529297 Energy: 0.33016975335529297 Energy: 0.32473391929361944 Energy: 0.34571093572157874 Energy: 0.3457109369125322 Energy: 0.3247358166024477 Energy: 0.36541087587354126 Energy: 0.36541087615032397 Energy: 0.3141563505985857 Energy: 0.45105789781642674 Energy: 0.45105789781642674 Energy: 0.38248058210486097 Energy: 0.3247358480393712 Energy: 0.3247358480393712 Energy: 0.40598957107439104 Energy: 0.3457109366632032 Energy: 0.3457109366632032 Energy: 0.3842895008814661 Energy: 0.3238499773635785 Energy: 0.32384997736279414 Energy: 0.36712746306823674 Energy: 0.3238494115998551 Energy: 0.3238494115998551 minimum gb energy = 0.3141563505985857 eV minimum distance = 2.55039980058898 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.42939100715317247 Energy: 0.3125851636108055 Energy: 0.3125851636108055 Energy: 0.29804787405836103 Energy: 0.31987627676152974 Energy: 0.3198762727100013 Energy: 0.29381181659936345 Energy: 0.3198816877988274 Energy: 0.31988168779706055 Energy: 0.4071352921229832 Energy: 0.3157358963152028 Energy: 0.3157358963152028 Energy: 0.41232201778334826 Energy: 0.3157645096596498 Energy: 0.3157645096596498 Energy: 0.30860986410184166 Energy: 0.34629388872759737 Energy: 0.346293888727244 Energy: 0.30576259173986703 Energy: 0.3515885655275986 Energy: 0.3515885655275986 Energy: 0.5109535082861938 Energy: 0.3198669694903197 Energy: 0.3198669696870588 Energy: 0.30520037576762216 Energy: 0.3037588361211325 Energy: 0.3037588361211325 Energy: 0.2938053138459118 Energy: 0.31186186339681626 Energy: 0.31186186339646293 minimum gb energy = 0.2938053138459118 eV minimum distance = 2.54077013033838 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.4815064126861439 Energy: 0.2911428391049752 Energy: 0.2911428391049752 Energy: 0.29871739267898334 Energy: 0.29165315367889677 Energy: 0.2916531536782538 Energy: 0.286235229360807 Energy: 0.3270006748834577 Energy: 0.3270006748834577 Energy: 0.2812342450952396 Energy: 0.2985953592619565 Energy: 0.2985953592619565 Energy: 0.286235222364105 Energy: 0.29858273680020087 Energy: 0.29858273680020087 Energy: 0.2856856046725035 Energy: 0.29853589596260394 Energy: 0.29853589596260394 Energy: 0.28570401057508565 Energy: 0.2985842450016193 Energy: 0.2985842450022624 Energy: 0.47586056013741207 Energy: 0.29859869970975844 Energy: 0.29859869970975844 Energy: 0.46530900083524246 Energy: 0.2985855908630242 Energy: 0.2985855908630242 Energy: 0.286250748640908 Energy: 0.3107844332604282 Energy: 0.3107844332604282 minimum gb energy = 0.2812342450952396 eV minimum distance = 2.56146989218981 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.4620887543595596 Energy: 0.2861758615416068 Energy: 0.28617586154190167 Energy: 0.352677557076802 Energy: 0.28868401950745354 Energy: 0.2886843036555254 Energy: 0.2723713694362591 Energy: 0.28871133510374536 Energy: 0.28871133510374536 Energy: 0.28215289853012443 Energy: 0.2887581129606637 Energy: 0.2887581129606637 Energy: 0.4475422466414032 Energy: 0.2791833132985244 Energy: 0.2791833132985244 Energy: 0.27674738264316046 Energy: 0.2852272703180374 Energy: 0.2852272703180374 Energy: 0.2681218704361934 Energy: 0.3360109311703593 Energy: 0.33601093117065417 Energy: 0.5197061612079117 Energy: 0.2883194122231053 Energy: 0.28831941159545876 Energy: 0.2764771306778691 Energy: 0.31463453279670517 Energy: 0.31463453279552545 Energy: 0.2645028050259237 Energy: 0.28868521326823465 Energy: 0.2886852060051611 minimum gb energy = 0.2645028050259237 eV minimum distance = 2.54282329099511 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.43349999934229233 Energy: 0.27046322802826656 Energy: 0.2704632280277218 Energy: 0.26709419458081424 Energy: 0.27823137212229593 Energy: 0.27823137211412435 Energy: 0.25883507573608916 Energy: 0.35641881132752695 Energy: 0.35641881132752695 Energy: 0.25299672063411316 Energy: 0.26739411692893494 Energy: 0.26739411692893494 Energy: 0.2591742246535593 Energy: 0.26706152059853755 Energy: 0.2670615205979928 Energy: 0.2591735008727269 Energy: 0.2782708711150565 Energy: 0.2782708711156013 Energy: 0.26705469612173177 Energy: 0.27236662051028543 Energy: 0.27236662051028543 Energy: 0.4328467745056725 Energy: 0.2782505867262434 Energy: 0.2782505867262434 Energy: 0.3637207743847673 Energy: 0.27236662090400676 Energy: 0.27236662377802384 Energy: 0.26303487477663845 Energy: 0.2588351795800637 Energy: 0.2588351797107593 minimum gb energy = 0.25299672063411316 eV minimum distance = 2.53546368452957 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.4741031799332662 Energy: 0.2633892517883061 Energy: 0.2633892517883061 Energy: 0.2516912276589212 Energy: 0.26790886215931836 Energy: 0.2679023310215999 Energy: 0.25187396567731923 Energy: 0.2619767825579088 Energy: 0.2619767825654997 Energy: 0.33324376072702144 Energy: 0.27011190648785494 Energy: 0.27011190648532457 Energy: 0.3332438071681892 Energy: 0.2644166446465722 Energy: 0.26441664416351063 Energy: 0.2508517054076947 Energy: 0.26441664752736715 Energy: 0.2644166479320347 Energy: 0.24945433076671897 Energy: 0.2644166494394167 Energy: 0.2644166487616123 Energy: 0.5255147564898965 Energy: 0.2619610704256138 Energy: 0.2619610704711136 Energy: 0.34011318922878575 Energy: 0.34265563510222125 Energy: 0.34265563510222125 Energy: 0.2444359137369161 Energy: 0.2644166518168615 Energy: 0.26441665125540603 minimum gb energy = 0.2444359137369161 eV minimum distance = 2.5511776582596 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.40233178026600747 Energy: 0.25025283273539256 Energy: 0.25025283273539256 Energy: 0.256948563555732 Energy: 0.2569462168695493 Energy: 0.2569462168695493 Energy: 0.23057363560949562 Energy: 0.2743282380928403 Energy: 0.2743282380923678 Energy: 0.23091885388402353 Energy: 0.256772907457801 Energy: 0.2567729083659748 Energy: 0.30422354716387595 Energy: 0.257380043709809 Energy: 0.257380043709809 Energy: 0.2305985444697331 Energy: 0.2567729162954156 Energy: 0.2567729162954156 Energy: 0.37541494224586947 Energy: 0.26559037929906726 Energy: 0.26559037929906726 Energy: 0.40114891619280824 Energy: 0.2567729074993579 Energy: 0.2567729080920644 Energy: 0.2567729074724479 Energy: 0.2420424127153153 Energy: 0.2420424127153153 Energy: 0.242384937431469 Energy: 0.25677291048788875 Energy: 0.25677291048788875 minimum gb energy = 0.23057363560949562 eV minimum distance = 2.5640286325136 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4159500514026067 Energy: 0.4069530534986473 Energy: 0.4069530534986473 Energy: 0.4397721202377534 Energy: 0.23178459451321443 Energy: 0.23178459451279732 Energy: 0.22121546370285705 Energy: 0.2447708284973563 Energy: 0.24477082849693918 Energy: 0.22123014014673653 Energy: 0.2446242267444043 Energy: 0.2446242267460727 Energy: 0.2127654992210363 Energy: 0.24475859230170094 Energy: 0.24475859230170094 Energy: 0.22672234889591641 Energy: 0.23180028995641494 Energy: 0.23180028996142013 Energy: 0.4136679515073502 Energy: 0.23810346372688054 Energy: 0.23810346341835942 Energy: 0.4568241106398083 Energy: 0.24476075511743176 Energy: 0.24476075511910014 Energy: 0.3489655944310929 Energy: 0.2446684175820997 Energy: 0.2446684175850194 Energy: 0.28879414811458043 Energy: 0.29834599778871923 Energy: 0.29834599778871923 minimum gb energy = 0.2127654992210363 eV minimum distance = 2.54712076949799 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.45272766154428096 Energy: 0.22653659463164436 Energy: 0.22653659462828446 Energy: 0.3768130813977859 Energy: 0.2224652103696031 Energy: 0.2224652103696031 Energy: 0.2335811911352633 Energy: 0.22245210805167148 Energy: 0.22245210805167148 Energy: 0.21291945975910354 Energy: 0.22245222640033566 Energy: 0.22245222634362452 Energy: 0.20484118031152637 Energy: 0.23364858514153136 Energy: 0.23364858514153136 Energy: 0.29518973150230143 Energy: 0.2821010657569914 Energy: 0.2821010657569914 Energy: 0.25131849942203166 Energy: 0.22245222715750243 Energy: 0.22245222715787577 Energy: 0.4490026249133341 Energy: 0.2278597558106623 Energy: 0.22785975314072457 Energy: 0.4739772214302215 Energy: 0.21274768864841062 Energy: 0.21274768864841062 Energy: 0.21530276671205417 Energy: 0.23364858531580532 Energy: 0.23364858577814882 minimum gb energy = 0.20484118031152637 eV minimum distance = 2.55533692211614 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.40029889090127024 Energy: 0.36244046532345625 Energy: 0.36244046532345625 Energy: 0.3016329654553056 Energy: 0.3700377893718811 Energy: 0.3700377893718811 Energy: 0.19798529127087033 Energy: 0.20964912675438252 Energy: 0.20964778454964356 Energy: 0.197989878301997 Energy: 0.20964107504991153 Energy: 0.20964107504991153 Energy: 0.19801544192042783 Energy: 0.21408733627991258 Energy: 0.21408733644235844 Energy: 0.19798771670405216 Energy: 0.2188248674295447 Energy: 0.2188248674295447 Energy: 0.3016516695707293 Energy: 0.21408733501523655 Energy: 0.21408733472852218 Energy: 0.4332606930017396 Energy: 0.2140873370738672 Energy: 0.2140873370738672 Energy: 0.3026035779751892 Energy: 0.21408733478862932 Energy: 0.21408733550119205 Energy: 0.19164847261569734 Energy: 0.21408733578993355 Energy: 0.21408733691986767 minimum gb energy = 0.19164847261569734 eV minimum distance = 2.5615173561233 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3769112977745187 Energy: 0.2008445300827268 Energy: 0.20084453007470496 Energy: 0.2866471616665912 Energy: 0.20250912121734677 Energy: 0.20250912121734677 Energy: 0.2804502091447376 Energy: 0.19181930679862164 Energy: 0.19181930679862164 Energy: 0.18115951588387763 Energy: 0.20638873256272047 Energy: 0.20638873256241197 Energy: 0.19195880176878743 Energy: 0.22465244921298047 Energy: 0.2246524492089695 Energy: 0.1860208465479097 Energy: 0.19863952812709668 Energy: 0.19863952816254987 Energy: 0.3957109815822802 Energy: 0.18879121470999033 Energy: 0.18879121470999033 Energy: 0.44048448355852177 Energy: 0.20643911457256406 Energy: 0.20643911457348965 Energy: 0.2868019885371643 Energy: 0.19517463686732173 Energy: 0.19517463687994346 Energy: 0.185913670075682 Energy: 0.20632792203385822 Energy: 0.20632792203324116 minimum gb energy = 0.18115951588387763 eV minimum distance = 2.55075673021412 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.4181416554898254 Energy: 0.19096467113829713 Energy: 0.1909646711377293 Energy: 0.44928377498656147 Energy: 0.18357123256869726 Energy: 0.18357123256869726 Energy: 0.1809918377181249 Energy: 0.1894659543888026 Energy: 0.18946595438851868 Energy: 0.16947016785464467 Energy: 0.1926028828131207 Energy: 0.1926028828131207 Energy: 0.18096445702286343 Energy: 0.18946924866399184 Energy: 0.18946924865803014 Energy: 0.17615639298371857 Energy: 0.19259932512195466 Energy: 0.19259932778451774 Energy: 0.26819021314291613 Energy: 0.1960354029499965 Energy: 0.19603540295028038 Energy: 0.41592623026894693 Energy: 0.192599325623358 Energy: 0.192599325623358 Energy: 0.33730014228572774 Energy: 0.19602435455459602 Energy: 0.19602435455431214 Energy: 0.1784763653508184 Energy: 0.19259932557796122 Energy: 0.19259932645990765 minimum gb energy = 0.16947016785464467 eV minimum distance = 2.54957710551264 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4134445944125808 Energy: 0.25861232835427234 Energy: 0.25861232835661446 Energy: 0.2746964435881132 Energy: 0.18425479102167353 Energy: 0.18425479102143452 Energy: 0.2124758324980844 Energy: 0.18144383601993333 Energy: 0.18144383601916858 Energy: 0.1815265135086415 Energy: 0.18291390344567318 Energy: 0.18291390344701158 Energy: 0.168210415332267 Energy: 0.18711653999552974 Energy: 0.187116539995004 Energy: 0.17308539444342264 Energy: 0.3432798619870833 Energy: 0.34327986198679655 Energy: 0.27470034381768593 Energy: 0.181441260536408 Energy: 0.181441260536408 Energy: 0.4690572744486411 Energy: 0.18147216392517132 Energy: 0.1814721639256971 Energy: 0.40229711462756523 Energy: 0.1741884661349887 Energy: 0.1741884661349887 Energy: 0.26300326370275 Energy: 0.1814552116135168 Energy: 0.18145521164085757 minimum gb energy = 0.168210415332267 eV minimum distance = 2.5453584455296 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.37701761435666264 Energy: 0.17624149828530417 Energy: 0.17624149828530417 Energy: 0.24762024165916902 Energy: 0.17701563063758555 Energy: 0.1770156305495078 Energy: 0.16440206160490858 Energy: 0.17951310914349417 Energy: 0.17951310914349417 Energy: 0.16128665623443295 Energy: 0.1821094422121095 Energy: 0.1821094422096617 Energy: 0.15872319726648715 Energy: 0.177002323851498 Energy: 0.17700232384905018 Energy: 0.27050000517964123 Energy: 0.168179715314795 Energy: 0.168179715314795 Energy: 0.36010127135277686 Energy: 0.17232524506554683 Energy: 0.17232524506554683 Energy: 0.42968251503452 Energy: 0.17951485940589562 Energy: 0.17951485940589562 Energy: 0.3036067398871002 Energy: 0.18211386385854117 Energy: 0.18211386386098902 Energy: 0.16817614167850567 Energy: 0.2214839322560786 Energy: 0.22148393215820955 minimum gb energy = 0.15872319726648715 eV minimum distance = 2.54940012686377 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011739799905338574 Energy: 0.011739799905701792 Energy: 0.011739799905338574 Energy: 0.011739799905701792 Energy: 0.11897294285814168 Energy: 0.11897294285814168 Energy: 0.011739799907477531 Energy: 0.11897294285814168 Energy: 0.1189729428585049 Energy: 0.011739799905338574 Energy: 0.11897294285814168 Energy: 0.11897294285779865 Energy: 0.011739799905338574 Energy: 0.11897294287020863 Energy: 0.11897294285814168 Energy: 0.011739799906408051 Energy: 0.11897294285957438 Energy: 0.11897294286239943 Energy: 0.011739799905701792 Energy: 0.11897294285957438 Energy: 0.11897294285814168 Energy: 0.011739799905338574 Energy: 0.011739799906408051 Energy: 0.011739799906408051 Energy: 0.011739799906044832 Energy: 0.11897294285779865 Energy: 0.11897294285814168 Energy: 0.011739799906408051 Energy: 0.11897294285779865 Energy: 0.11897294285779865 minimum gb energy = 0.011739799905338574 eV minimum distance = 2.81660209296103 Angstroms sigma value = 1