Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_AlCo__MO_678952612413_000 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=4.05000014603138 cohesive_energy=3.3602642414071076 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010351909707949022 Energy: 0.40964031934657724 Energy: 0.010351909707949022 Energy: 0.40964031934657724 Energy: 0.010351909707949022 Energy: 0.4096403193463273 Energy: 0.40964031934657724 Energy: 0.4600176623890084 Energy: 0.40964031934657724 Energy: 0.4600176623885365 Energy: 0.4096403193463273 Energy: 0.460017662389758 Energy: 0.010351909707949022 Energy: 0.40964031934657724 Energy: 0.010351909707949022 Energy: 0.40964031934657724 Energy: 0.010351909707949022 Energy: 0.4096403193463273 Energy: 0.40964031934657724 Energy: 0.46001766238925834 Energy: 0.40964031934657724 Energy: 0.46001766238781466 Energy: 0.4096403193463273 Energy: 0.4600176623882866 Energy: 0.010351909707949022 Energy: 0.4096403193463273 Energy: 0.010351909708198881 Energy: 0.4096403193463273 Energy: 0.010351909707949022 Energy: 0.4096403193463273 Energy: 0.4096403193463273 Energy: 0.4600176623860935 Energy: 0.4096403193463273 Energy: 0.46001766238681524 Energy: 0.4096403193463273 Energy: 0.4600176623900079 minimum gb energy = 0.010351909707949022 eV minimum distance = 2.58765266841449 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5440933955092494 Energy: 0.5318294738450677 Energy: 0.5440933955086479 Energy: 0.5318294738456693 Energy: 0.5440933955092494 Energy: 0.5318294738456693 Energy: 0.6263613729176846 Energy: 0.5020392954578667 Energy: 0.6263613729176846 Energy: 0.5020392954578667 Energy: 0.6263613729176846 Energy: 0.5020392954578667 Energy: 0.5147900189098024 Energy: 0.5441081313477852 Energy: 0.5284458961461881 Energy: 0.5441081313477852 Energy: 0.5147900189092008 Energy: 0.5441081313471839 Energy: 0.6046690322098512 Energy: 0.5118945374231169 Energy: 0.6046690322098512 Energy: 0.5118945374231169 Energy: 0.6046690322098512 Energy: 0.5118945374231169 Energy: 0.5217250271998357 Energy: 0.5565838764901796 Energy: 0.5217250271998357 Energy: 0.5565838764901796 Energy: 0.5217250272004371 Energy: 0.556583876490781 Energy: 0.555292629735362 Energy: 0.4971089667865699 Energy: 0.5552926297359634 Energy: 0.4971089667865699 Energy: 0.5552926297347605 Energy: 0.4971089667859685 Energy: 0.528455480346664 Energy: 0.5290498205899649 Energy: 0.5284554803460625 Energy: 0.5290498205887619 Energy: 0.528455480346664 Energy: 0.5290498205887619 Energy: 0.5122312469268607 Energy: 0.5625013768313495 Energy: 0.5122312469268607 Energy: 0.5625013768313495 Energy: 0.5122312469280637 Energy: 0.5625013768319509 Energy: 0.560545181920434 Energy: 0.5438374569419273 Energy: 0.560545181920434 Energy: 0.5438374569419273 Energy: 0.560545181920434 Energy: 0.5438374569419273 Energy: 0.49234002122139287 Energy: 0.548956340973025 Energy: 0.49234002122019 Energy: 0.5489563409724236 Energy: 0.4923400212207914 Energy: 0.5489563409724236 Energy: 0.6223165799292067 Energy: 0.49740223825726115 Energy: 0.6223165799292067 Energy: 0.49740223825665975 Energy: 0.6223165799298082 Energy: 0.49740223825726115 Energy: 0.49813703908014373 Energy: 0.5914630602930382 Energy: 0.49813703907954227 Energy: 0.5914630602930382 Energy: 0.49813703907954227 Energy: 0.5914630602924368 Energy: 0.5853344807095201 Energy: 0.49377085993852526 Energy: 0.5853344807095201 Energy: 0.49377085993852526 Energy: 0.5853344807095201 Energy: 0.4937708599379238 Energy: 0.5099443370434039 Energy: 0.5226344828993906 Energy: 0.5099443370434039 Energy: 0.522634482899992 Energy: 0.5099443370428025 Energy: 0.5226344828993906 Energy: 0.5832140424376872 Energy: 0.49868305282664444 Energy: 0.5832140424376872 Energy: 0.49868305282664444 Energy: 0.5832140424376872 Energy: 0.49868305282664444 Energy: 0.589336401049224 Energy: 0.5397131136887711 Energy: 0.5893364010498255 Energy: 0.5397131136887711 Energy: 0.5893364010498255 Energy: 0.5397131136881695 Energy: 0.5171176977803078 Energy: 0.5324554814976944 Energy: 0.517117697779105 Energy: 0.5324554814976944 Energy: 0.517117697779105 Energy: 0.5324554814970929 Energy: 0.5168244370982701 Energy: 0.5369861610660749 Energy: 0.5168244370982701 Energy: 0.5369861610660749 Energy: 0.5168244370976687 Energy: 0.5369861610660749 Energy: 0.49673096603718864 Energy: 0.5114852918377238 Energy: 0.49673096603779004 Energy: 0.5114852918377238 Energy: 0.49673096603718864 Energy: 0.5114852918377238 Energy: 0.5522524060479613 Energy: 0.4972856606631417 Energy: 0.5522524060473598 Energy: 0.4972856606631417 Energy: 0.5522524060473598 Energy: 0.49728566066254026 Energy: 0.508515237509224 Energy: 0.6660106996258117 Energy: 0.5085152375104269 Energy: 0.6660106996264131 Energy: 0.508515237509224 Energy: 0.6660106996258117 Energy: 0.5575287882584182 Energy: 0.5281024488091398 Energy: 0.5575287882584182 Energy: 0.5281024488091398 Energy: 0.5575287882578167 Energy: 0.5281024488091398 Energy: 0.4972604734004535 Energy: 0.5856363515078515 Energy: 0.4972604734004535 Energy: 0.5856363515072501 Energy: 0.497260473399852 Energy: 0.5856363515078515 minimum gb energy = 0.49234002122019 eV minimum distance = 2.57278049617591 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5243210404407294 Energy: 0.5491185038291237 Energy: 0.5243210404420977 Energy: 0.5491185038287816 Energy: 0.5243210404414136 Energy: 0.5491185038291237 Energy: 0.554626207505998 Energy: 0.5106716981263854 Energy: 0.5546262075053138 Energy: 0.5106716981260433 Energy: 0.5546262075049716 Energy: 0.5106716981263854 Energy: 0.4885198455147549 Energy: 0.5099163426534047 Energy: 0.4885198455147549 Energy: 0.509916342654431 Energy: 0.4885198455137286 Energy: 0.5099163426554572 Energy: 0.5314985740040261 Energy: 0.5598538657653621 Energy: 0.5314985740029998 Energy: 0.5598538657653621 Energy: 0.531498574003684 Energy: 0.5598538657653621 Energy: 0.5109901384240537 Energy: 0.5546242547497471 Energy: 0.5109901384243959 Energy: 0.5546242547497471 Energy: 0.5109901384240537 Energy: 0.554624254749405 Energy: 0.5102691214085123 Energy: 0.4877036036630375 Energy: 0.5102691214078282 Energy: 0.48770360366406385 Energy: 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0.6181140686218878 Energy: 0.5112733365868883 Energy: 0.49714087060664236 Energy: 0.5115505898719109 Energy: 0.49714087060664236 Energy: 0.5115505898719109 Energy: 0.49714087060664236 Energy: 0.5115505898719109 Energy: 0.5187071528257657 Energy: 0.5442184801220527 Energy: 0.5187071528257657 Energy: 0.5442184801220527 Energy: 0.5187071528257657 Energy: 0.5442184801220527 Energy: 0.5446484106719304 Energy: 0.5114719093749766 Energy: 0.5446484106711378 Energy: 0.5114719093749766 Energy: 0.5446484106711378 Energy: 0.5114719093749766 Energy: 0.546515045063156 Energy: 0.5544036186121131 Energy: 0.546515045063156 Energy: 0.5544036186121131 Energy: 0.546515045063156 Energy: 0.5544036186121131 Energy: 0.5170623519034356 Energy: 0.5119707974507558 Energy: 0.5170623519042283 Energy: 0.5119707974499631 Energy: 0.5170623519042283 Energy: 0.5119707974499631 minimum gb energy = 0.4815168600348071 eV minimum distance = 2.56541783818017 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.4569382851324497 Energy: 0.4391863472905146 Energy: 0.4569382851319796 Energy: 0.4391863472905146 Energy: 0.4569382851324497 Energy: 0.4391863472909847 Energy: 0.5017013463678375 Energy: 0.5288064619361067 Energy: 0.5017013463668971 Energy: 0.5288064619361067 Energy: 0.5017013463668971 Energy: 0.5288064619361067 Energy: 0.41422489869894263 Energy: 0.5292099653315244 Energy: 0.4142248986984724 Energy: 0.529209965333405 Energy: 0.4142248986994127 Energy: 0.5292099653319946 Energy: 0.4808329969540677 Energy: 0.41422105967652434 Energy: 0.4808329969564187 Energy: 0.41422105967652434 Energy: 0.48083299695453796 Energy: 0.4142210596760541 Energy: 0.43486279762884517 Energy: 0.4569048331476915 Energy: 0.43486279763119595 Energy: 0.4569048331476915 Energy: 0.43486279763025565 Energy: 0.4569048331476915 Energy: 0.4348224950290403 Energy: 0.45693072121652484 Energy: 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Energy: 0.5292099653324647 Energy: 0.41422489869894263 Energy: 0.5292099653329349 Energy: 0.48083299695359766 Energy: 0.4142210596760541 Energy: 0.48083299695500814 Energy: 0.4142210596760541 Energy: 0.4808329969540677 Energy: 0.4142210596760541 Energy: 0.43486279762978547 Energy: 0.4569048331476915 Energy: 0.434862797634017 Energy: 0.45690483314675107 Energy: 0.43486279762884517 Energy: 0.4569048331481616 Energy: 0.43482249502621934 Energy: 0.4569307212160546 Energy: 0.43482249502668946 Energy: 0.45693072121746514 Energy: 0.43482249502621934 Energy: 0.45693072121746514 Energy: 0.48086347635884513 Energy: 0.41421661633280543 Energy: 0.48086347635884513 Energy: 0.41421661633280543 Energy: 0.4808634763579048 Energy: 0.41421661633280543 Energy: 0.41422976873898687 Energy: 0.5291104942815451 Energy: 0.41422976873851675 Energy: 0.5291104942820153 Energy: 0.41422976873898687 Energy: 0.5291104942806046 Energy: 0.5016377677520533 Energy: 0.5288299904221674 Energy: 0.5016377677525233 Energy: 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Energy: 0.434822495025279 Energy: 0.45693072121746514 Energy: 0.48086347635884513 Energy: 0.4142166163332756 Energy: 0.48086347636072574 Energy: 0.41421661633280543 Energy: 0.48086347635978544 Energy: 0.41421661633280543 Energy: 0.41422976873945705 Energy: 0.5291104942806046 Energy: 0.41422976873898687 Energy: 0.5291104942806046 Energy: 0.41422976873851675 Energy: 0.5291104942810749 Energy: 0.5016377677534637 Energy: 0.5288299904221674 Energy: 0.5016377677520533 Energy: 0.5288299904221674 Energy: 0.501637767751583 Energy: 0.5288299904221674 Energy: 0.4569382851324497 Energy: 0.4391863472905146 Energy: 0.4569382851329199 Energy: 0.4391863472919251 Energy: 0.4569382851329199 Energy: 0.4391863472905146 Energy: 0.5017013463664269 Energy: 0.5288064619356366 Energy: 0.501701346368778 Energy: 0.5288064619361067 Energy: 0.5017013463683077 Energy: 0.5288064619361067 Energy: 0.4142248986965917 Energy: 0.5292099653315244 Energy: 0.41422489869894263 Energy: 0.5292099653315244 Energy: 0.4142248986975321 Energy: 0.529209965333405 minimum gb energy = 0.41421661633280543 eV minimum distance = 2.58466981216241 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.47637485810489266 Energy: 0.42012165002378427 Energy: 0.47637485810489266 Energy: 0.42012165002378427 Energy: 0.47637485810489266 Energy: 0.42012165002378427 Energy: 0.572641434325456 Energy: 0.46483365463504234 Energy: 0.572641434325456 Energy: 0.46483365463504234 Energy: 0.5726414343243044 Energy: 0.46483365463504234 Energy: 0.42955007097715764 Energy: 0.5182969885042255 Energy: 0.4295500709840678 Energy: 0.5182969885042255 Energy: 0.42955007098637105 Energy: 0.5182969885053771 Energy: 0.5797970528726468 Energy: 0.40764405599971854 Energy: 0.5797970528726468 Energy: 0.40764405599971854 Energy: 0.5797970528726468 Energy: 0.40764405599971854 Energy: 0.5100137672271533 Energy: 0.4076282812598741 Energy: 0.5100137672271533 Energy: 0.4076282812598741 Energy: 0.5100137672271533 Energy: 0.40762828125872247 Energy: 0.49230936241434453 Energy: 0.5239293890695351 Energy: 0.4923093624131929 Energy: 0.5239293890695351 Energy: 0.4923093624131929 Energy: 0.5239293890695351 Energy: 0.4495480818980154 Energy: 0.46472049552735917 Energy: 0.4495480818980154 Energy: 0.46472049552851086 Energy: 0.4495480818980154 Energy: 0.46472049552851086 Energy: 0.4616465840166226 Energy: 0.42161549574695545 Energy: 0.4616465840166226 Energy: 0.42161549574695545 Energy: 0.4616465840166226 Energy: 0.42161549574695545 Energy: 0.46731209981282523 Energy: 0.429176068243025 Energy: 0.46731209981282523 Energy: 0.429176064321041 Energy: 0.4673120998139769 Energy: 0.42917606378459855 Energy: 0.4768806854297186 Energy: 0.5195087174117199 Energy: 0.4768806854297186 Energy: 0.5195087174117199 Energy: 0.4768806854297186 Energy: 0.5195087174117199 Energy: 0.42022146079693456 Energy: 0.4068944814062765 Energy: 0.42022146079693456 Energy: 0.4068944814062765 Energy: 0.42022146079693456 Energy: 0.4068944814062765 Energy: 0.5076962356226178 Energy: 0.4675634875951046 Energy: 0.5076962356226178 Energy: 0.46756348759395283 Energy: 0.5076962356226178 Energy: 0.46756348759395283 minimum gb energy = 0.4068944814062765 eV minimum distance = 2.55467811824781 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.429234203541783 Energy: 0.41443825396991296 Energy: 0.4292342035421065 Energy: 0.41443825396991296 Energy: 0.429234203541783 Energy: 0.41443825397023654 Energy: 0.5541659047966365 Energy: 0.3971636980702454 Energy: 0.5541659047872525 Energy: 0.39716369806992174 Energy: 0.5541659047885469 Energy: 0.4107203119999442 Energy: 0.3746397982097773 Energy: 0.5627857119291307 Energy: 0.3746397982094537 Energy: 0.5627857119258948 Energy: 0.37463979821010085 Energy: 0.5627857119252476 Energy: 0.40052488256548996 Energy: 0.3922092439343917 Energy: 0.4005248825661371 Energy: 0.3922092439343917 Energy: 0.4005248825658135 Energy: 0.3922092439343917 Energy: 0.4260335252363551 Energy: 0.40010593569960845 Energy: 0.4260335252363551 Energy: 0.4001059356992849 Energy: 0.42603352523538435 Energy: 0.4001059357002557 Energy: 0.4216563006698422 Energy: 0.4183032702133629 Energy: 0.4216563006695187 Energy: 0.41094875206416476 Energy: 0.4216563006704895 Energy: 0.41094875206578274 Energy: 0.39672016623447276 Energy: 0.44995857930209193 Energy: 0.39672016623673784 Energy: 0.44995857930209193 Energy: 0.39672016623479633 Energy: 0.44995857930209193 Energy: 0.36411603581276697 Energy: 0.46749783517171284 Energy: 0.3641160358124435 Energy: 0.46749783517171284 Energy: 0.3641160358121199 Energy: 0.46749783517171284 Energy: 0.5342750865866399 Energy: 0.39971442813655883 Energy: 0.5342750865840511 Energy: 0.39971442813655883 Energy: 0.5342750865872871 Energy: 0.3997144281362352 Energy: 0.4283736494096097 Energy: 0.5793478891368692 Energy: 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Energy: 0.41605940401772185 Energy: 0.3809121745603496 Energy: 0.41605940401772185 Energy: 0.5087661923196948 Energy: 0.5011451861136417 Energy: 0.5087661923180768 Energy: 0.5011451861129945 Energy: 0.5087661923193713 Energy: 0.5011451861120237 Energy: 0.40121977579107754 Energy: 0.40068822532394477 Energy: 0.4012197757923719 Energy: 0.4006882253242684 Energy: 0.40121977579107754 Energy: 0.4006882253236212 Energy: 0.3664405955803442 Energy: 0.5500675332298129 Energy: 0.36644059557904984 Energy: 0.5500675332298129 Energy: 0.36644059557904984 Energy: 0.5500675332294893 Energy: 0.5649367478906608 Energy: 0.4110041073751971 Energy: 0.5649367478909844 Energy: 0.41100410737552073 Energy: 0.5649367478906608 Energy: 0.41100410737616794 Energy: 0.3666129464501949 Energy: 0.5499933338397739 Energy: 0.3666129464495477 Energy: 0.5499933338397739 Energy: 0.36661294644987125 Energy: 0.5499933338400975 Energy: 0.4011952962978182 Energy: 0.40077119201615263 Energy: 0.4011952963000833 Energy: 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Energy: 0.3935521836783269 Energy: 0.37463979820913007 Energy: 0.5627857119258948 Energy: 0.3746397982094537 Energy: 0.5627857119252476 Energy: 0.3746397982094537 Energy: 0.562785711924277 Energy: 0.4005248825667843 Energy: 0.39220924393503886 Energy: 0.4005248825661371 Energy: 0.39220924393503886 Energy: 0.4005248825667843 Energy: 0.39220924393503886 Energy: 0.4260335252360315 Energy: 0.4001059356999321 Energy: 0.4260335252376495 Energy: 0.40010593569960845 Energy: 0.4260335252366787 Energy: 0.40010593569960845 minimum gb energy = 0.3641160358121199 eV minimum distance = 2.64214657883168 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.3033985932766095 Energy: 0.26874967542591327 Energy: 0.16650665778493778 Energy: 0.2687496754266499 Energy: 0.3033985932751363 Energy: 0.26874967542591327 Energy: 0.35402621996700767 Energy: 0.27108644375628843 Energy: 0.35402621996774436 Energy: 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0.3880593147770521 Energy: 0.2986226007228228 Energy: 0.33444458017517165 Energy: 0.2704126360125379 Energy: 0.23432740122263274 Energy: 0.27041263601106463 Energy: 0.16669227488858243 Energy: 0.2704126360125379 Energy: 0.23432740122410592 Energy: 0.24604315757101486 Energy: 0.3525920353763684 Energy: 0.24604315757027828 Energy: 0.3525920353748952 Energy: 0.24604315757175146 Energy: 0.352592035373422 Energy: 0.16674578796006637 Energy: 0.3011677167494074 Energy: 0.16674578796006637 Energy: 0.3011677167486708 Energy: 0.16674578796006637 Energy: 0.3011677167486708 Energy: 0.16713484995751848 Energy: 0.1967274912032404 Energy: 0.1671348499589917 Energy: 0.1967274912025038 Energy: 0.1671348499582551 Energy: 0.19672749120176716 Energy: 0.35324298682709226 Energy: 0.245044530617265 Energy: 0.3532429868300387 Energy: 0.24504453061652834 Energy: 0.3532429868285654 Energy: 0.24504453061431852 minimum gb energy = 0.16650665778493778 eV minimum distance = 2.77902663290046 Angstroms sigma value = 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0.3534657895079781 Energy: 0.35406839883647706 Energy: 0.3534657895084034 Energy: 0.3391506292538194 Energy: 0.41848551254282124 Energy: 0.33915062925424466 Energy: 0.4184855125432465 Energy: 0.33915062925339406 Energy: 0.4184855125436718 Energy: 0.42252966935507746 Energy: 0.4611271299890989 Energy: 0.42252966935507746 Energy: 0.46112712998952426 Energy: 0.4225296693555028 Energy: 0.4611271299890989 Energy: 0.5488321606262596 Energy: 0.47751675627992485 Energy: 0.5488321606275354 Energy: 0.4775167562803501 Energy: 0.5488321606271102 Energy: 0.47751675627992485 Energy: 0.34115197917081075 Energy: 0.4157337439163975 Energy: 0.3411519791712361 Energy: 0.4157337439159723 Energy: 0.3411519791716613 Energy: 0.4157337439163975 Energy: 0.3543320442743034 Energy: 0.355397616102845 Energy: 0.3543320442743034 Energy: 0.355397616102845 Energy: 0.35433204427387816 Energy: 0.35539761610241977 Energy: 0.33403096687635914 Energy: 0.4231264207261396 Energy: 0.33403096687720973 Energy: 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Energy: 0.4196942099719694 Energy: 0.45153214367199096 Energy: 0.49593525715860753 Energy: 0.37079346283742676 Energy: 0.49593525715562287 Energy: 0.37079346283802367 Energy: 0.4959352571580106 Energy: 0.37079346283712833 Energy: 0.3636177862252507 Energy: 0.6004606371399501 Energy: 0.36361778622584773 Energy: 0.6004606371396516 Energy: 0.3636177862252507 Energy: 0.6004606371396516 Energy: 0.4214219745607221 Energy: 0.36056462666699274 Energy: 0.4214219745604237 Energy: 0.36056462666699274 Energy: 0.4214219745604237 Energy: 0.36056462666699274 Energy: 0.378472047826289 Energy: 0.5530368947268054 Energy: 0.3784720478259906 Energy: 0.5530368947282976 Energy: 0.3784720478265875 Energy: 0.5530368947262083 Energy: 0.37482223258021613 Energy: 0.49294385814564445 Energy: 0.3748222325799177 Energy: 0.49294385814534597 Energy: 0.3748222325796193 Energy: 0.49294385814385366 Energy: 0.3905565141724046 Energy: 0.36221159988760787 Energy: 0.3905565141712108 Energy: 0.36221159988760787 Energy: 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Energy: 0.3779836908551222 Energy: 0.3866526851722246 Energy: 0.3779836908553036 Energy: 0.37860080972073107 Energy: 0.3779390818284078 Energy: 0.37860080972073107 Energy: 0.3779390818282265 Energy: 0.3786008097209351 Energy: 0.3779390818284078 Energy: 0.39613864343245986 Energy: 0.519689456542731 Energy: 0.3961386434330719 Energy: 0.519689456542527 Energy: 0.396138643436268 Energy: 0.519689456542731 minimum gb energy = 0.37774158094382254 eV minimum distance = 2.66509773321047 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.5928439198876285 Energy: 0.45330619017508594 Energy: 0.5928439198873325 Energy: 0.45330619017538215 Energy: 0.5928439198865427 Energy: 0.45330619017508594 Energy: 0.4783707704453525 Energy: 0.4591796448271289 Energy: 0.4783707704434276 Energy: 0.45917964482683277 Energy: 0.4783707704448095 Energy: 0.459179644826586 Energy: 0.47075889860888326 Energy: 0.5567409300392057 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0.4527643951680639 Energy: 0.4875920164368124 Energy: 0.45276439516852146 Energy: 0.4875920164368124 Energy: 0.45276439516852146 Energy: 0.48759201643726996 Energy: 0.4828346259548155 Energy: 0.45736545485343755 Energy: 0.4828346259552732 Energy: 0.45736545485389524 Energy: 0.4828346259552732 Energy: 0.45736545485343755 Energy: 0.43111686878272765 Energy: 0.4660399429313002 Energy: 0.43111686878226996 Energy: 0.4660399429308425 Energy: 0.43111686878135475 Energy: 0.4660399429308425 Energy: 0.46056464072136727 Energy: 0.45189341603219485 Energy: 0.4605646407259435 Energy: 0.45189341603173716 Energy: 0.4605646407259435 Energy: 0.45189341603173716 Energy: 0.46613300536283725 Energy: 0.4573413167140087 Energy: 0.46613300536283725 Energy: 0.4573413167140087 Energy: 0.46613300536237967 Energy: 0.4573413167140087 minimum gb energy = 0.4183174090837827 eV minimum distance = 2.69572291984811 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.49302603606968565 Energy: 0.4313306074034259 Energy: 0.4554653389128144 Energy: 0.43133060740638846 Energy: 0.4930260360726483 Energy: 0.43133060740638846 Energy: 0.48252166154629134 Energy: 0.4157623955587645 Energy: 0.4825216615474764 Energy: 0.41576239555994954 Energy: 0.48252166154629134 Energy: 0.41576239555994954 Energy: 0.503488305801198 Energy: 0.48408218553583743 Energy: 0.4940868630036359 Energy: 0.4840821855346523 Energy: 0.5034883058023829 Energy: 0.4840821855346523 Energy: 0.4094053601517285 Energy: 0.4805033647629288 Energy: 0.409405360151136 Energy: 0.4805033647641139 Energy: 0.4094053601552838 Energy: 0.4805033647641139 Energy: 0.5216942019840594 Energy: 0.43105937305088765 Energy: 0.5216942019846519 Energy: 0.43105937305148023 Energy: 0.5216942019852444 Energy: 0.43105937305088765 Energy: 0.5077765924204478 Energy: 0.4180239995980739 Energy: 0.5077765924210402 Energy: 0.4180239995945188 Energy: 0.5077765924198552 Energy: 0.4180239995933337 Energy: 0.4987331763391611 Energy: 0.5607065365786573 Energy: 0.49873317634212383 Energy: 0.56070653657925 Energy: 0.4987331763403462 Energy: 0.56070653657925 Energy: 0.45850425737721906 Energy: 0.4342055583567608 Energy: 0.4585042573784041 Energy: 0.4342055583573533 Energy: 0.45850425737899664 Energy: 0.4342055583573533 Energy: 0.508337005488717 Energy: 0.48885490190106773 Energy: 0.5083370054893095 Energy: 0.4888549019040304 Energy: 0.508337005489902 Energy: 0.4888549019034379 Energy: 0.42736386366556517 Energy: 0.4322006773326966 Energy: 0.42687605663011646 Energy: 0.4322006773326966 Energy: 0.4273638636703054 Energy: 0.4322006773326966 Energy: 0.4583275015023123 Energy: 0.4829747911612175 Energy: 0.4583275014993496 Energy: 0.48297479116299513 Energy: 0.4583275014999421 Energy: 0.48297479116299513 Energy: 0.5209562420426886 Energy: 0.46373192770352617 Energy: 0.5209562420426886 Energy: 0.46373192770352617 Energy: 0.520956242042096 Energy: 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0.3915280736989954 Energy: 0.4171352404145235 Energy: 0.43059670723669796 Energy: 0.4171352404168936 Energy: 0.4305967072349204 Energy: 0.4171352404168936 Energy: 0.43059670723373533 Energy: 0.5029322263548565 Energy: 0.46250151820272256 Energy: 0.5029322263530788 Energy: 0.46250151820213004 Energy: 0.5029322263536713 Energy: 0.46250151820213004 Energy: 0.471520924879497 Energy: 0.4313930836578536 Energy: 0.4715209248759418 Energy: 0.43139308365963125 Energy: 0.471520924878312 Energy: 0.43139308365963125 Energy: 0.5129549934192925 Energy: 0.5126020472512073 Energy: 0.512954993418727 Energy: 0.5126020472512073 Energy: 0.512954993418727 Energy: 0.5126020472512073 Energy: 0.5093585783934064 Energy: 0.46353124496267445 Energy: 0.510650301308633 Energy: 0.4635312449614894 Energy: 0.5093585783945914 Energy: 0.46353124496208187 Energy: 0.5266826628953091 Energy: 0.4782826895835405 Energy: 0.5266624914033667 Energy: 0.478282689584133 Energy: 0.5266826628941241 Energy: 0.478282689584133 minimum gb energy = 0.3915280736989954 eV minimum distance = 2.5740837914531 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.45025446909469197 Energy: 0.3929380949999961 Energy: 0.45025446909469197 Energy: 0.3929380949999961 Energy: 0.45025446909469197 Energy: 0.3929380949999961 Energy: 0.40069433483227634 Energy: 0.4595242117682425 Energy: 0.40069433483227634 Energy: 0.4595242117690805 Energy: 0.40069433483227634 Energy: 0.4595242117682425 Energy: 0.46265630861206 Energy: 0.43227649050932787 Energy: 0.46265630861206 Energy: 0.43227649050932787 Energy: 0.46265630861206 Energy: 0.43227649050932787 Energy: 0.41420996952688827 Energy: 0.5219691605188038 Energy: 0.41420996952688827 Energy: 0.5219691605188038 Energy: 0.41420996952688827 Energy: 0.5219691605188038 Energy: 0.44695909271091694 Energy: 0.4047003271855133 Energy: 0.44695909271091694 Energy: 0.4047003271855133 Energy: 0.4469590927117548 Energy: 0.4047003271855133 Energy: 0.4812739991718724 Energy: 0.43368132134292475 Energy: 0.4812739991718724 Energy: 0.43368132134292475 Energy: 0.4812739991718724 Energy: 0.43368132134292475 Energy: 0.4399936233177612 Energy: 0.3858937205860275 Energy: 0.43999362332027514 Energy: 0.3858937205868655 Energy: 0.4399936233177612 Energy: 0.3858937205851895 Energy: 0.4145809123713611 Energy: 0.45032774535977294 Energy: 0.4145809123713611 Energy: 0.45032774535977294 Energy: 0.41458091237052314 Energy: 0.45032774535977294 Energy: 0.4158301292684281 Energy: 0.4593212516967629 Energy: 0.4158301292684281 Energy: 0.4593212516967629 Energy: 0.41583012926759017 Energy: 0.4593212516967629 Energy: 0.4779484682340908 Energy: 0.4649268108535786 Energy: 0.4779484682340908 Energy: 0.4649268108535786 Energy: 0.4779484682340908 Energy: 0.4649268108527406 Energy: 0.39689166641419815 Energy: 0.4127407060626881 Energy: 0.39689166641503615 Energy: 0.4127407060626881 Energy: 0.39689166641419815 Energy: 0.4127407060626881 Energy: 0.4308308295687311 Energy: 0.4267724048142355 Energy: 0.4308308295678931 Energy: 0.4267724048150734 Energy: 0.4308308295687311 Energy: 0.4267724048150734 Energy: 0.44535822942928516 Energy: 0.43439709620148564 Energy: 0.4453582294284472 Energy: 0.43439709620148564 Energy: 0.44535822942928516 Energy: 0.43439709620148564 Energy: 0.4025221474638276 Energy: 0.42168952337128923 Energy: 0.40252214746298964 Energy: 0.42168952337128923 Energy: 0.40252214746298964 Energy: 0.42168952337128923 Energy: 0.39488905875449926 Energy: 0.4455331490661273 Energy: 0.39488905875533725 Energy: 0.4455331490661273 Energy: 0.39488905875449926 Energy: 0.44553314906696523 Energy: 0.48131813053783046 Energy: 0.572126229869134 Energy: 0.48131813053783046 Energy: 0.572126229869134 Energy: 0.48131813053783046 Energy: 0.572126229869972 Energy: 0.4013641939065209 Energy: 0.421019680400191 Energy: 0.4013641939065209 Energy: 0.421019680401029 Energy: 0.4013641939065209 Energy: 0.421019680401029 minimum gb energy = 0.3858937205851895 eV minimum distance = 2.67082882271912 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.4170690638128042 Energy: 0.3766857207113414 Energy: 0.41706906381118625 Energy: 0.3766857207106943 Energy: 0.417069063812157 Energy: 0.3766857207113414 Energy: 0.3925774788326415 Energy: 0.4092920633919967 Energy: 0.3925774788323179 Energy: 0.40929206339393825 Energy: 0.3925774788326415 Energy: 0.40929206339296753 Energy: 0.4163548809112786 Energy: 0.42735313901658223 Energy: 0.4163548809106314 Energy: 0.42735313901658223 Energy: 0.4163548809112786 Energy: 0.42735313901658223 Energy: 0.3942221702779244 Energy: 0.3981310182548367 Energy: 0.39422217027857154 Energy: 0.3981310182548367 Energy: 0.39422217027889517 Energy: 0.39813101825645464 Energy: 0.3844442707652589 Energy: 0.42204711801421196 Energy: 0.3844442707597579 Energy: 0.42204711801453554 Energy: 0.38444427076428817 Energy: 0.4220471180148591 Energy: 0.3881943426855772 Energy: 0.3766953923114626 Energy: 0.3881943426855772 Energy: 0.37669539231081534 Energy: 0.38819434268525355 Energy: 0.3766953923114626 Energy: 0.379659236122022 Energy: 0.43469455463425427 Energy: 0.3796592361246107 Energy: 0.43469455463425427 Energy: 0.37965923612169844 Energy: 0.43469455463360707 Energy: 0.41897478386736353 Energy: 0.4408810051581164 Energy: 0.41897478386736353 Energy: 0.4408810051577929 Energy: 0.4189747838680106 Energy: 0.44088100515844003 Energy: 0.466076526967625 Energy: 0.3930602671011097 Energy: 0.466076526967625 Energy: 0.3930602671011097 Energy: 0.4660765269663307 Energy: 0.3930602671011097 Energy: 0.3801878741478293 Energy: 0.40296011513570745 Energy: 0.3801878741497708 Energy: 0.40296011513538393 Energy: 0.38018787414944727 Energy: 0.40296011513570745 Energy: 0.4074597955827547 Energy: 0.42682048589390237 Energy: 0.4074597955814602 Energy: 0.42682048589196087 Energy: 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Energy: 0.42219703096658706 Energy: 0.394413016052254 Energy: 0.3838231429830907 Energy: 0.3944130160509596 Energy: 0.3838231429830907 Energy: 0.394413016052254 Energy: 0.3838231429830907 Energy: 0.41641874983523586 Energy: 0.4274040397917506 Energy: 0.41641874983717736 Energy: 0.4274040397911034 Energy: 0.4164187498349123 Energy: 0.4274040397917506 Energy: 0.3927013517752616 Energy: 0.4216907266703989 Energy: 0.3927013517723492 Energy: 0.4216907266703989 Energy: 0.3927013517739672 Energy: 0.4216907266703989 Energy: 0.4170690638144221 Energy: 0.3766857207113414 Energy: 0.41706906381409864 Energy: 0.37668572071198864 Energy: 0.4170690638134514 Energy: 0.3766857207123122 Energy: 0.39257747883037636 Energy: 0.36263357725233775 Energy: 0.3925774788310235 Energy: 0.36263357725233775 Energy: 0.39257747883037636 Energy: 0.3626335772526614 Energy: 0.4163548809132202 Energy: 0.4273531390178766 Energy: 0.4163548809128966 Energy: 0.4273531390178766 Energy: 0.4163548809128966 Energy: 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Energy: 0.41893463274414333 Energy: 0.4040955566043092 Energy: 0.3768141047812714 Energy: 0.3886287931944772 Energy: 0.3768141047817982 Energy: 0.3886287931944772 Energy: 0.3768141047807445 Energy: 0.3886287931950041 Energy: 0.35552746122601625 Energy: 0.3789059283184842 Energy: 0.3555274612233818 Energy: 0.3789059283184842 Energy: 0.35552746122759693 Energy: 0.3789059283179573 Energy: 0.3773868922696435 Energy: 0.3473735303983895 Energy: 0.37738689226911665 Energy: 0.3473735303983895 Energy: 0.37738689227017036 Energy: 0.3473735303978626 Energy: 0.33434802245494755 Energy: 0.41406433597125303 Energy: 0.33434802245494755 Energy: 0.41406433597125303 Energy: 0.3343480224544207 Energy: 0.41406433597125303 Energy: 0.4010378414801444 Energy: 0.406441820506011 Energy: 0.40103784148383254 Energy: 0.40644182050653793 Energy: 0.40103784148119814 Energy: 0.406441820506011 Energy: 0.3970252301884827 Energy: 0.34845631566625496 Energy: 0.39702523018900954 Energy: 0.3484563156657281 Energy: 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0.41992475289911085 Energy: 0.38423365458446 Energy: 0.3816202129896128 Energy: 0.38051788117549945 Energy: 0.38162021298908594 Energy: 0.3805178811502569 Energy: 0.3816202129885591 Energy: 0.3805178811765532 Energy: 0.35926513806271154 Energy: 0.36199914917843884 Energy: 0.3592651380595502 Energy: 0.36199914917843884 Energy: 0.35926513806113086 Energy: 0.36199914917843884 Energy: 0.41414658061488585 Energy: 0.49019610914027284 Energy: 0.4141465806154127 Energy: 0.49019610914132655 Energy: 0.41414658061593956 Energy: 0.49019610914132655 Energy: 0.40808283334908935 Energy: 0.47064783567509894 Energy: 0.4080828333501431 Energy: 0.4706478356745721 Energy: 0.4080828333496162 Energy: 0.47064783567509894 Energy: 0.355142063405165 Energy: 0.3622431952220449 Energy: 0.35514206340674564 Energy: 0.362243195221518 Energy: 0.355142063405165 Energy: 0.3622431952220449 Energy: 0.38761744857026914 Energy: 0.3821292777384664 Energy: 0.3876174485713229 Energy: 0.3821292777516385 Energy: 0.38761744857079605 Energy: 0.38212927773688576 minimum gb energy = 0.3343480224544207 eV minimum distance = 2.64800863869674 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.3965392828495618 Energy: 0.33438987443619794 Energy: 0.39653928284879403 Energy: 0.3343898744365819 Energy: 0.39653928284994566 Energy: 0.33438987443619794 Energy: 0.3686898830130285 Energy: 0.3722353473073959 Energy: 0.3686898830130285 Energy: 0.37223534730701197 Energy: 0.36868988301379624 Energy: 0.37223534730701197 Energy: 0.3664884318077923 Energy: 0.3715837740603076 Energy: 0.36648843180702456 Energy: 0.3715837740603076 Energy: 0.36648843180702456 Energy: 0.37158377405992377 Energy: 0.3793730999154254 Energy: 0.3472532456861742 Energy: 0.37937309991657703 Energy: 0.3472532456861742 Energy: 0.3793730999154254 Energy: 0.3472532456861742 Energy: 0.3653183513557148 Energy: 0.3528862066732409 Energy: 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Energy: 0.38659774933304303 Energy: 0.4065134024406684 Energy: 0.386597749333427 Energy: 0.3442185831015204 Energy: 0.32146314035788015 Energy: 0.3442185831011365 Energy: 0.32146314035826407 Energy: 0.3442185831011365 Energy: 0.32146314035826407 Energy: 0.32783260604361086 Energy: 0.34374203096413697 Energy: 0.32783260604207526 Energy: 0.34374203096452094 Energy: 0.32783260604322695 Energy: 0.34374203096413697 Energy: 0.4095993220663935 Energy: 0.38874397718063824 Energy: 0.40959932206562577 Energy: 0.38874397718063824 Energy: 0.4095993220663935 Energy: 0.38874397718063824 Energy: 0.35079267244059686 Energy: 0.3194502079665745 Energy: 0.3507926724409807 Energy: 0.31945020796695833 Energy: 0.35079267244059686 Energy: 0.3194502079665745 Energy: 0.33219489366557664 Energy: 0.33878519892628417 Energy: 0.3321948936659606 Energy: 0.33878519892666814 Energy: 0.33219489366634447 Energy: 0.33878519892666814 Energy: 0.3618250386652774 Energy: 0.38827389758943814 Energy: 0.36182503866450966 Energy: 0.38827389758751873 Energy: 0.3618250386652774 Energy: 0.3882738975932421 Energy: 0.33232801383027566 Energy: 0.35235869816918575 Energy: 0.33232801383027566 Energy: 0.352358698168418 Energy: 0.3323280138306595 Energy: 0.35235869816918575 Energy: 0.3422477062798937 Energy: 0.3643739506666958 Energy: 0.3422477062806614 Energy: 0.3643739506670798 Energy: 0.34224770628027756 Energy: 0.3643739506670798 Energy: 0.3663627175579858 Energy: 0.32608644162707884 Energy: 0.3663627175579858 Energy: 0.3260864416213205 Energy: 0.3663627175583697 Energy: 0.32608644162016887 Energy: 0.35816112762546737 Energy: 0.3169836749257787 Energy: 0.35816112762508345 Energy: 0.3169836749261627 Energy: 0.3581611276262351 Energy: 0.3169836749280821 Energy: 0.3760195819820678 Energy: 0.3723187247686245 Energy: 0.3760195819820678 Energy: 0.3723187247686245 Energy: 0.3760195819820678 Energy: 0.3723187247690084 Energy: 0.3654254287364797 Energy: 0.36788051997545224 Energy: 0.3654254287364797 Energy: 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0.35322606049925753 Energy: 0.32655573330091675 Energy: 0.3532260604988737 Energy: 0.3252589997229356 Energy: 0.31926019879157913 Energy: 0.32525899972370337 Energy: 0.31926019879157913 Energy: 0.32525899972331956 Energy: 0.31926019879196293 minimum gb energy = 0.316058581063876 eV minimum distance = 2.63221647313732 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.08651979523305786 Energy: 0.10814996415003081 Energy: 0.08651979523305786 Energy: 0.10814996415003081 Energy: 0.08651979523305786 Energy: 0.10814996415017505 Energy: 0.3501301198485904 Energy: 0.08687694890608613 Energy: 0.35013011984886283 Energy: 0.08687694890594187 Energy: 0.35013011984886283 Energy: 0.08687694890691962 Energy: 0.35013094002588213 Energy: 0.08726841726505163 Energy: 0.3501309400263149 Energy: 0.0872684172642021 Energy: 0.3501309400260264 Energy: 0.08726841726505163 Energy: 0.08651979523292964 Energy: 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Energy: 0.10814996415003081 Energy: 0.08651979523292964 Energy: 0.10814996415003081 Energy: 0.0865197952327854 Energy: 0.10814996415003081 minimum gb energy = 0.0865197952327854 eV minimum distance = 2.83469573756594 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.41508853333937257 Energy: 0.3266181798912328 Energy: 0.41508853333937257 Energy: 0.3266181798912328 Energy: 0.4150885333389504 Energy: 0.3266181798912328 Energy: 0.34882203063835326 Energy: 0.30681650450367165 Energy: 0.3488220306379312 Energy: 0.3068165045083147 Energy: 0.3488220306387754 Energy: 0.3068165045040937 Energy: 0.36821027405378876 Energy: 0.3051834324812946 Energy: 0.36821027405336665 Energy: 0.3051834324808725 Energy: 0.36821027405336665 Energy: 0.3051834324817167 Energy: 0.3466739771921656 Energy: 0.3334121884818347 Energy: 0.3466739771908993 Energy: 0.3334121884818347 Energy: 0.34667397719174353 Energy: 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Energy: 0.367155883004329 Energy: 0.3063491868096902 Energy: 0.3671558830039069 Energy: 0.3063491868092681 Energy: 0.367155883004329 Energy: 0.3063491868080018 Energy: 0.30969996713953774 Energy: 0.32928852248649637 Energy: 0.30969996713995984 Energy: 0.3292885224873406 Energy: 0.30969996713995984 Energy: 0.3292885224839638 Energy: 0.3454121818899631 Energy: 0.3001065391607192 Energy: 0.34541218189122935 Energy: 0.3001065391624077 Energy: 0.3454121818903852 Energy: 0.30010653915945296 Energy: 0.3413148354997063 Energy: 0.36349071878811123 Energy: 0.34131483550012837 Energy: 0.36349071878557865 Energy: 0.3413148354997063 Energy: 0.3634907187860007 Energy: 0.32231287604993997 Energy: 0.309044833116682 Energy: 0.32231287604993997 Energy: 0.30904483311583786 Energy: 0.3223128760495179 Energy: 0.3090448331171041 Energy: 0.3587678502302442 Energy: 0.3579296408944236 Energy: 0.35876785022982205 Energy: 0.3579296408940015 Energy: 0.35876785023066626 Energy: 0.3579296408940015 Energy: 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Energy: 0.32941243899562295 Energy: 0.3121881835867305 Energy: 0.3294124389952009 Energy: 0.3121881835867305 Energy: 0.3294124389952009 Energy: 0.4013401936584265 Energy: 0.3161176505864159 Energy: 0.40134019365884854 Energy: 0.31611765058683805 Energy: 0.40134019365927065 Energy: 0.31611765058599384 Energy: 0.33783733192366316 Energy: 0.36218488152268086 Energy: 0.33783733192366316 Energy: 0.36218488152268086 Energy: 0.33783733192366316 Energy: 0.36218488152268086 Energy: 0.3483410567332566 Energy: 0.3184549370764237 Energy: 0.3483410567341008 Energy: 0.3184549370764237 Energy: 0.3483410567332566 Energy: 0.3184549370764237 Energy: 0.3788138775212397 Energy: 0.321142875903042 Energy: 0.3788138775212397 Energy: 0.321142875903042 Energy: 0.3788138775216426 Energy: 0.321142875903042 minimum gb energy = 0.29397028754859855 eV minimum distance = 2.67707455291901 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.3741182486421364 Energy: 0.38442643762639556 Energy: 0.3741182486397307 Energy: 0.38442643762639556 Energy: 0.3741182486367235 Energy: 0.3844264376275984 Energy: 0.3987782667781032 Energy: 0.3973721980020897 Energy: 0.39877826677870454 Energy: 0.3973721980020897 Energy: 0.3987782667781032 Energy: 0.3973721980020897 Energy: 0.43638694349300405 Energy: 0.3995428084253231 Energy: 0.43638694349300405 Energy: 0.3995428084253231 Energy: 0.43638694349300405 Energy: 0.3995428084259245 Energy: 0.4507009452232597 Energy: 0.376300484597281 Energy: 0.4507009452232597 Energy: 0.376300484597281 Energy: 0.4507009452232597 Energy: 0.376300484597281 Energy: 0.4031378576147535 Energy: 0.3900653538571251 Energy: 0.4031378576147535 Energy: 0.39006535385652374 Energy: 0.4031378576141521 Energy: 0.39006535385652374 Energy: 0.4181773676037161 Energy: 0.4141251571469857 Energy: 0.4181773676031147 Energy: 0.41412515714758713 Energy: 0.4181773676037161 Energy: 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0.42467037931145263 Energy: 0.39268897349334925 Energy: 0.432424180558825 Energy: 0.3926889734939507 Energy: 0.432424180558825 Energy: 0.39268897349274784 Energy: 0.432424180558825 Energy: 0.38483595722448277 Energy: 0.4672613242554654 Energy: 0.38483595722448277 Energy: 0.4672613242554654 Energy: 0.38483595722508424 Energy: 0.4672613242548639 Energy: 0.39533717864534595 Energy: 0.39671519979260683 Energy: 0.39533717864534595 Energy: 0.39671519979260683 Energy: 0.3953371786459473 Energy: 0.39671519979260683 Energy: 0.39459327240873027 Energy: 0.3866153438732432 Energy: 0.3945932724099331 Energy: 0.3866153438732432 Energy: 0.3945932724081288 Energy: 0.3866153438732432 Energy: 0.384189215289479 Energy: 0.3979389537912627 Energy: 0.3841892152900804 Energy: 0.3979389537912627 Energy: 0.384189215289479 Energy: 0.3979389537912627 Energy: 0.4104499471490573 Energy: 0.34302831894103714 Energy: 0.4104499471490573 Energy: 0.34302831894103714 Energy: 0.41044994714845584 Energy: 0.34302831894103714 Energy: 0.4296214986573199 Energy: 0.4346565939463115 Energy: 0.4296214986573199 Energy: 0.4346565939463115 Energy: 0.4296214986567185 Energy: 0.4346565939463115 Energy: 0.41941964400613496 Energy: 0.3710306945066697 Energy: 0.41941964400613496 Energy: 0.3710306945072712 Energy: 0.4194196440055335 Energy: 0.3710306945066697 Energy: 0.42106020198905486 Energy: 0.352608992394222 Energy: 0.4210602019860477 Energy: 0.3526089923948235 Energy: 0.42106020198725047 Energy: 0.3526089923948235 Energy: 0.45080307258551855 Energy: 0.43813299696964175 Energy: 0.45080307258551855 Energy: 0.43813299697024316 Energy: 0.45080307258551855 Energy: 0.43813299697024316 Energy: 0.4028030430157335 Energy: 0.3705585300317252 Energy: 0.4028030430163349 Energy: 0.3705585300317252 Energy: 0.4028030430163349 Energy: 0.3705585300317252 minimum gb energy = 0.34302831894103714 eV minimum distance = 2.68245851451896 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.4870631405727379 Energy: 0.3902626142445562 Energy: 0.48706314057311945 Energy: 0.3902626142445562 Energy: 0.48706314057235633 Energy: 0.39026261424493774 Energy: 0.42069951126667093 Energy: 0.42517603175154456 Energy: 0.4206995112674341 Energy: 0.42517603175154456 Energy: 0.4206995112670526 Energy: 0.42517603175154456 Energy: 0.46029127517224955 Energy: 0.42600568820969165 Energy: 0.46029127517224955 Energy: 0.42600568820969165 Energy: 0.46029127517224955 Energy: 0.4260056882093101 Energy: 0.47080049983824934 Energy: 0.39528254699194015 Energy: 0.47080049983863087 Energy: 0.3952825469923217 Energy: 0.47080049983824934 Energy: 0.39528254699194015 Energy: 0.45040552848500787 Energy: 0.4464730897241044 Energy: 0.4504055284846263 Energy: 0.4464730897241044 Energy: 0.45040552848500787 Energy: 0.4464730897241044 Energy: 0.501552543733347 Energy: 0.4673691567952852 Energy: 0.5015525437329655 Energy: 0.46736915679490365 Energy: 0.501552543733347 Energy: 0.47011503968478907 Energy: 0.42223382930837666 Energy: 0.46848702416314836 Energy: 0.4222338293072321 Energy: 0.4684870241639115 Energy: 0.4222338293076136 Energy: 0.46848702416314836 Energy: 0.41247335373027977 Energy: 0.47322121768777264 Energy: 0.4124733537310428 Energy: 0.47322121768815417 Energy: 0.41247335373027977 Energy: 0.47322121768815417 Energy: 0.423314675822459 Energy: 0.4666571735353036 Energy: 0.42331467582284055 Energy: 0.4666571735353036 Energy: 0.423314675822459 Energy: 0.46665717353568514 Energy: 0.4229300195334941 Energy: 0.3877483129175098 Energy: 0.42293001953463866 Energy: 0.38774831297661405 Energy: 0.4229300195334941 Energy: 0.4752803004427078 Energy: 0.41403300393464665 Energy: 0.4810352914854145 Energy: 0.4140330039354097 Energy: 0.4810352914854145 Energy: 0.4140330039350282 Energy: 0.48103529148503305 Energy: 0.42202369885373314 Energy: 0.42816841719775717 Energy: 0.42202369885411467 Energy: 0.42816841719775717 Energy: 0.42202369885411467 Energy: 0.42816841719775717 Energy: 0.44131273908168606 Energy: 0.39228481194949244 Energy: 0.4413127390797783 Energy: 0.39228481194949244 Energy: 0.4413127390813045 Energy: 0.39228481194949244 Energy: 0.4206297834070954 Energy: 0.424221249577152 Energy: 0.4206297834070954 Energy: 0.424221249577152 Energy: 0.4206297834070954 Energy: 0.4242212495763889 Energy: 0.43917824991097854 Energy: 0.4240802348682008 Energy: 0.43917824991136 Energy: 0.4240802348685824 Energy: 0.43917824991097854 Energy: 0.4240802348682008 Energy: 0.470865587041565 Energy: 0.4536218816152073 Energy: 0.470865587041565 Energy: 0.45362188161558886 Energy: 0.4708655870411834 Energy: 0.4536218816152073 Energy: 0.44591235819413483 Energy: 0.40371741150878854 Energy: 0.4459123581937533 Energy: 0.40371741150878854 Energy: 0.44591235819299024 Energy: 0.40371741150917007 Energy: 0.46956343593611777 Energy: 0.46222808226083095 Energy: 0.46956343593573624 Energy: 0.4622280822612125 Energy: 0.46956343593497324 Energy: 0.4622280822612125 Energy: 0.42171817130701134 Energy: 0.4836442719403364 Energy: 0.4217181713073929 Energy: 0.48364427193995485 Energy: 0.42171817130701134 Energy: 0.48364427193995485 Energy: 0.4748775663692129 Energy: 0.42484155511776805 Energy: 0.47487756636883144 Energy: 0.42484155511776805 Energy: 0.474877566369976 Energy: 0.42484155511776805 Energy: 0.48244202240491013 Energy: 0.45553405470521663 Energy: 0.4824420224056732 Energy: 0.45553405470483516 Energy: 0.4824420224045286 Energy: 0.45553405470483516 Energy: 0.43983134177851524 Energy: 0.42092492940397974 Energy: 0.43983134177813366 Energy: 0.42092492940359827 Energy: 0.43983134177813366 Energy: 0.42092492940397974 Energy: 0.41408687422731394 Energy: 0.4811012555402388 Energy: 0.4140868742276955 Energy: 0.4811012555402388 Energy: 0.41408687422693236 Energy: 0.4811012555402388 Energy: 0.4426334217602863 Energy: 0.427096678704505 Energy: 0.44263342175914167 Energy: 0.427096678704505 Energy: 0.4426334217606678 Energy: 0.427096678704505 Energy: 0.4220877076075044 Energy: 0.4268357043714011 Energy: 0.4220877076075044 Energy: 0.4268357043714011 Energy: 0.4220877076078859 Energy: 0.4268357043710543 Energy: 0.4156873853669818 Energy: 0.4716796430137518 Energy: 0.4156873853677449 Energy: 0.47167964301337023 Energy: 0.4156873853677449 Energy: 0.4716796430137518 Energy: 0.42212935007985614 Energy: 0.45189192554998603 Energy: 0.42212935007947455 Energy: 0.45189192554998603 Energy: 0.42212935007985614 Energy: 0.45189192555036756 Energy: 0.4705682565833217 Energy: 0.5111474339667818 Energy: 0.4705682565837032 Energy: 0.5111474339667818 Energy: 0.47056825658408474 Energy: 0.5111474339667818 Energy: 0.47592890160839013 Energy: 0.4464137779472671 Energy: 0.47592890160839013 Energy: 0.44641377794764864 Energy: 0.47592890160991635 Energy: 0.44641377794764864 Energy: 0.4231845507373249 Energy: 0.4698270546556106 Energy: 0.4231845507373249 Energy: 0.4698270546556106 Energy: 0.4231845507373249 Energy: 0.4698270546556106 Energy: 0.49628857966425705 Energy: 0.46089415769412195 Energy: 0.49628857966425705 Energy: 0.4608941576945034 Energy: 0.4962885796650201 Energy: 0.46089415769488506 Energy: 0.45027124695877635 Energy: 0.4248194016139763 Energy: 0.45027124695915793 Energy: 0.4248194016139763 Energy: 0.45027124695877635 Energy: 0.4248194016143579 Energy: 0.47218423721519653 Energy: 0.420670624268197 Energy: 0.47218423721443337 Energy: 0.4206706242685786 Energy: 0.47218423721519653 Energy: 0.4206706242685786 Energy: 0.434744552892989 Energy: 0.4250852454492556 Energy: 0.43474455289409897 Energy: 0.4250852454492556 Energy: 0.43474455289371744 Energy: 0.4250852454492556 Energy: 0.43532673766102464 Energy: 0.42601486575524905 Energy: 0.43532673765988006 Energy: 0.42601486575524905 Energy: 0.43532673766102464 Energy: 0.42601486575524905 Energy: 0.49334339203150657 Energy: 0.3913490219233261 Energy: 0.4933433920307434 Energy: 0.39134902192294446 Energy: 0.4933433920318881 Energy: 0.3913490219233261 Energy: 0.4215336973318693 Energy: 0.4226951298172836 Energy: 0.4215336973311063 Energy: 0.4226951298172836 Energy: 0.4215336973311063 Energy: 0.4226951298172836 minimum gb energy = 0.3877483129175098 eV minimum distance = 2.66297303896005 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5155908572928756 Energy: 0.4500039214673035 Energy: 0.5155908572918338 Energy: 0.45000392146834517 Energy: 0.5155908572928756 Energy: 0.45000392146834517 Energy: 0.4586265146695236 Energy: 0.47532794389373745 Energy: 0.4586265146684818 Energy: 0.47532794389269567 Energy: 0.4586265146684818 Energy: 0.47532794389269567 Energy: 0.5491936781296319 Energy: 0.47637245526146627 Energy: 0.545614063620085 Energy: 0.47637245526146627 Energy: 0.5456140636190433 Energy: 0.47637245526146627 Energy: 0.48881566007646193 Energy: 0.5576505363356945 Energy: 0.48881566007646193 Energy: 0.5576505363356945 Energy: 0.48881566007646193 Energy: 0.5576505363356945 Energy: 0.5075356951790447 Energy: 0.4804374153744547 Energy: 0.5075356951790447 Energy: 0.4804374153744547 Energy: 0.5075356951780265 Energy: 0.4804374153744547 Energy: 0.528274814076682 Energy: 0.4964196770662912 Energy: 0.5282748140756403 Energy: 0.4964196770662912 Energy: 0.528274814076682 Energy: 0.49641967706733287 Energy: 0.4760314908530979 Energy: 0.5182178337889503 Energy: 0.4760314908530979 Energy: 0.5182178337889503 Energy: 0.4760314908530979 Energy: 0.5182178337889503 Energy: 0.4803069855018832 Energy: 0.5049516481880183 Energy: 0.4803069855018832 Energy: 0.5049516481880183 Energy: 0.4803069855018832 Energy: 0.5049516481880183 Energy: 0.45990433819764887 Energy: 0.46100030848782886 Energy: 0.4599043381986906 Energy: 0.46100030848782886 Energy: 0.45990433819764887 Energy: 0.46100030848782886 Energy: 0.5106026075244704 Energy: 0.4513848167885341 Energy: 0.5106026075244704 Energy: 0.4513848167885341 Energy: 0.5106026075244704 Energy: 0.4513848167885341 Energy: 0.4599565737674162 Energy: 0.4765419270654752 Energy: 0.45995657376637455 Energy: 0.4765419270644335 Energy: 0.45995657376637455 Energy: 0.4765419270654752 Energy: 0.49372505698810537 Energy: 0.4748119847042261 Energy: 0.49372505698810537 Energy: 0.4748119847042261 Energy: 0.49372505698810537 Energy: 0.4748119847042261 Energy: 0.5109099500487745 Energy: 0.5177016929415379 Energy: 0.5109099500487745 Energy: 0.5177016929415379 Energy: 0.5109099500487745 Energy: 0.5177016929415379 Energy: 0.5052925434057286 Energy: 0.4805171738440829 Energy: 0.5052925434067703 Energy: 0.4805171738440829 Energy: 0.5052925434067703 Energy: 0.48051717384304116 minimum gb energy = 0.4500039214673035 eV minimum distance = 2.62376364017846 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5657769671191825 Energy: 0.5328057169023012 Energy: 0.5657769671191825 Energy: 0.5328057169018435 Energy: 0.5657769671191825 Energy: 0.5328057169018435 Energy: 0.48506629541379914 Energy: 0.534655710057088 Energy: 0.4850662954142567 Energy: 0.5346557100575456 Energy: 0.4850662954142567 Energy: 0.5346557100575456 Energy: 0.5327220928347054 Energy: 0.525784249056636 Energy: 0.532722092835163 Energy: 0.525784249056636 Energy: 0.5327220928347054 Energy: 0.525784249056636 Energy: 0.5289662886031852 Energy: 0.49706947995043893 Energy: 0.5289662886022699 Energy: 0.49706947995043893 Energy: 0.5289662886022699 Energy: 0.49706947995043893 Energy: 0.545605890229866 Energy: 0.525248213856032 Energy: 0.545605890229866 Energy: 0.525248213856032 Energy: 0.5456058902307814 Energy: 0.525248213856032 Energy: 0.5064236247515473 Energy: 0.5338868925195718 Energy: 0.5064236247515473 Energy: 0.5338868925195718 Energy: 0.5064236247520049 Energy: 0.5338868925195718 Energy: 0.5331547023412456 Energy: 0.5203491090733301 Energy: 0.5331547023417033 Energy: 0.5203491090737877 Energy: 0.5331547023417033 Energy: 0.5203491090737877 Energy: 0.5138371451774549 Energy: 0.5164174314628449 Energy: 0.5138371451774549 Energy: 0.5164174314633025 Energy: 0.5138371451774549 Energy: 0.5164174314633025 Energy: 0.5183377774046737 Energy: 0.5172222072467457 Energy: 0.5183377774037585 Energy: 0.5172222072467457 Energy: 0.5183377774046737 Energy: 0.5172222072467457 Energy: 0.523128205657318 Energy: 0.5295838922113199 Energy: 0.523128205657318 Energy: 0.5295838922117775 Energy: 0.5231282056568811 Energy: 0.5295838922117775 Energy: 0.5115090246551706 Energy: 0.5365001571814246 Energy: 0.5115090246556282 Energy: 0.5365001571814246 Energy: 0.5115090246551706 Energy: 0.5365001571814246 Energy: 0.5279727501369265 Energy: 0.5420779662852362 Energy: 0.5279727501364688 Energy: 0.5420779662847786 Energy: 0.5279727501369265 Energy: 0.5420779662847786 Energy: 0.5336525714568364 Energy: 0.527220557066372 Energy: 0.5336525714568364 Energy: 0.527220557066372 Energy: 0.5336525714572941 Energy: 0.5272205570659143 Energy: 0.5043863072874656 Energy: 0.5411308922998911 Energy: 0.504386307287008 Energy: 0.5411308922994335 Energy: 0.5043863072874656 Energy: 0.5411308922994335 Energy: 0.502157545791365 Energy: 0.5073701595341242 Energy: 0.5021575457918227 Energy: 0.5073701595341242 Energy: 0.5021575457909073 Energy: 0.5073701595341242 Energy: 0.5366888812969736 Energy: 0.5201893819354673 Energy: 0.5366888812969736 Energy: 0.5201893819354673 Energy: 0.5366888812969736 Energy: 0.5201893819354673 Energy: 0.4950500373245457 Energy: 0.540347281784674 Energy: 0.4950500373240881 Energy: 0.5403472817851317 Energy: 0.4950500373245457 Energy: 0.5403472817851317 Energy: 0.5567882570594351 Energy: 0.5609115771337192 Energy: 0.5567882570598929 Energy: 0.5609115771337192 Energy: 0.5567882570598929 Energy: 0.5609115771337192 Energy: 0.5051604438025966 Energy: 0.4962142909227686 Energy: 0.5051604438030542 Energy: 0.4962142909232262 Energy: 0.5051604438030542 Energy: 0.4962142909227686 Energy: 0.5263331371355392 Energy: 0.5313882249041996 Energy: 0.5263331371359968 Energy: 0.5313882249041996 Energy: 0.5263331371359968 Energy: 0.5313882249041996 Energy: 0.49504845138744297 Energy: 0.5021416619164285 Energy: 0.4950484513879006 Energy: 0.5021416619164285 Energy: 0.4950484513879006 Energy: 0.5021416619164285 Energy: 0.5514619716461899 Energy: 0.5328750598955359 Energy: 0.5514619716471051 Energy: 0.5328750598955359 Energy: 0.5514619716461899 Energy: 0.5328750598955359 Energy: 0.5277389510878017 Energy: 0.5257454994008742 Energy: 0.5277389510882592 Energy: 0.5257454994008742 Energy: 0.5277389510878017 Energy: 0.5257454994008742 Energy: 0.5453789776735789 Energy: 0.5348713621457291 Energy: 0.5453789776735789 Energy: 0.5348713621457291 Energy: 0.5453789776735789 Energy: 0.5348713621457291 Energy: 0.5139328501586623 Energy: 0.5187315834426949 Energy: 0.5139328501582047 Energy: 0.5187315834422372 Energy: 0.5139328501582047 Energy: 0.5187315834426949 Energy: 0.509622899417571 Energy: 0.5346646321857296 Energy: 0.5096228994171133 Energy: 0.5346646321857296 Energy: 0.509622899417571 Energy: 0.5346646321857296 Energy: 0.512649352788325 Energy: 0.5330269456192089 Energy: 0.512649352788325 Energy: 0.5330269456192089 Energy: 0.512649352788325 Energy: 0.5330269456196666 Energy: 0.5413149964006013 Energy: 0.502458170803389 Energy: 0.5413149964001437 Energy: 0.5024581708038466 Energy: 0.5413149964001437 Energy: 0.502458170803389 Energy: 0.5068392156272323 Energy: 0.5452444349214827 Energy: 0.5068392156272323 Energy: 0.5452444349214827 Energy: 0.50683921562769 Energy: 0.5452444349214827 Energy: 0.5015057987262976 Energy: 0.4840116829885233 Energy: 0.5015057987262976 Energy: 0.4840116829889809 Energy: 0.5015057987267554 Energy: 0.4840116829889809 Energy: 0.5228500757669068 Energy: 0.5514731059098081 Energy: 0.5228500757669068 Energy: 0.5514731059098081 Energy: 0.5228500757669068 Energy: 0.5514731059098081 minimum gb energy = 0.4840116829885233 eV minimum distance = 2.58700858596749 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.49184150836354956 Energy: 0.46705845757887043 Energy: 0.49184150836273516 Energy: 0.46705845757887043 Energy: 0.49184150836354956 Energy: 0.4670584575780561 Energy: 0.5247187199479023 Energy: 0.5467303269565588 Energy: 0.5247187199479023 Energy: 0.5467303269565588 Energy: 0.5247187199479023 Energy: 0.5467303269581875 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.4980337468913606 Energy: 0.5492280352490563 Energy: 0.5261001800256149 Energy: 0.5139030229636126 Energy: 0.5261001800264293 Energy: 0.5139030229636126 Energy: 0.5261001800256149 Energy: 0.5139030229636126 Energy: 0.524674649359771 Energy: 0.5281755338781262 Energy: 0.5246746493589567 Energy: 0.5281755338781262 Energy: 0.524674649359771 Energy: 0.5281755338781262 Energy: 0.4918415083651783 Energy: 0.4670584575780561 Energy: 0.4918415083643639 Energy: 0.4670584575780561 Energy: 0.4918415083643639 Energy: 0.4670584575780561 Energy: 0.5247187199503455 Energy: 0.5467303269565588 Energy: 0.5247187199503455 Energy: 0.5467303269565588 Energy: 0.5247187199511598 Energy: 0.5467303269581875 Energy: 0.5259196151552402 Energy: 0.5139549695426212 Energy: 0.5259196151552402 Energy: 0.5139549695426212 Energy: 0.5259196151552402 Energy: 0.5139549695426212 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.4980337468913606 Energy: 0.5492280352474276 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.5261001800264293 Energy: 0.5139030229636126 Energy: 0.5261001800272436 Energy: 0.5139030229636126 Energy: 0.5261001800264293 Energy: 0.5139030229636126 Energy: 0.5246746493589567 Energy: 0.5512808285543019 Energy: 0.5246746493589567 Energy: 0.5512808285543019 Energy: 0.5246746493589567 Energy: 0.5512808285559307 Energy: 0.49184150836354956 Energy: 0.46705845757887043 Energy: 0.49184150836273516 Energy: 0.46705845757887043 Energy: 0.49184150836354956 Energy: 0.46705845757887043 Energy: 0.5247187199479023 Energy: 0.5467303269549301 Energy: 0.5247187199479023 Energy: 0.5467303269549301 Energy: 0.5247187199479023 Energy: 0.5467303269565588 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.5259196151560546 Energy: 0.5139549695426212 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.49803374689054625 Energy: 0.5492280352482419 Energy: 0.4980337468913606 Energy: 0.5492280352482419 Energy: 0.5261001800256149 Energy: 0.5139030229636126 Energy: 0.5261001800264293 Energy: 0.5139030229636126 Energy: 0.5261001800256149 Energy: 0.5139030229636126 minimum gb energy = 0.4670584575780561 eV minimum distance = 2.62754064064188 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5160134031643173 Energy: 0.5705119141805624 Energy: 0.5160134031643173 Energy: 0.5705119141805624 Energy: 0.5160134031643173 Energy: 0.5705119141805624 Energy: 0.5424405592231868 Energy: 0.5711662304864005 Energy: 0.5424405592238517 Energy: 0.5711662304857354 Energy: 0.5424405592231868 Energy: 0.5711662304864005 Energy: 0.5334478229116032 Energy: 0.5208829464458367 Energy: 0.5334478229116032 Energy: 0.5208829464458367 Energy: 0.5334478229122681 Energy: 0.5208829464458367 Energy: 0.5038468493571426 Energy: 0.5865909050641268 Energy: 0.5038468493571426 Energy: 0.5865909050641268 Energy: 0.5038468493571426 Energy: 0.5865909050641268 Energy: 0.521465507918866 Energy: 0.5498836267584014 Energy: 0.5214655079175362 Energy: 0.5498836267590663 Energy: 0.5214655079182011 Energy: 0.5498836267590663 Energy: 0.5544032278630108 Energy: 0.5178840439611864 Energy: 0.5544032278623459 Energy: 0.5178840439611864 Energy: 0.5544032278630108 Energy: 0.5178840439611864 Energy: 0.5118342103077618 Energy: 0.5367469199650515 Energy: 0.5118342103083965 Energy: 0.5367469199650515 Energy: 0.5118342103077618 Energy: 0.5367469199650515 Energy: 0.5359052771998664 Energy: 0.5282607134703061 Energy: 0.535905277201861 Energy: 0.5282607134696412 Energy: 0.5359052772005313 Energy: 0.5282607134696412 Energy: 0.5790804517533696 Energy: 0.5193506617521156 Energy: 0.5790804517540346 Energy: 0.5193506617521156 Energy: 0.5790804517540346 Energy: 0.5193506617521156 Energy: 0.503754866611982 Energy: 0.5271548078996293 Energy: 0.503754866611982 Energy: 0.5271548078996293 Energy: 0.503754866611982 Energy: 0.5271548078996293 Energy: 0.5467856470447794 Energy: 0.5354290034133248 Energy: 0.5467856470447794 Energy: 0.5354290034133248 Energy: 0.5467856470454443 Energy: 0.5354290034133248 Energy: 0.5632540742201982 Energy: 0.5079905230290602 Energy: 0.5632540742195333 Energy: 0.5079905230290602 Energy: 0.5632540742188685 Energy: 0.5079905230283954 Energy: 0.51133323858564 Energy: 0.57014936523752 Energy: 0.51133323858564 Energy: 0.57014936523752 Energy: 0.5113332385863049 Energy: 0.5701493652368551 Energy: 0.53698979724446 Energy: 0.5309468850459427 Energy: 0.5369897972437951 Energy: 0.5309468850459427 Energy: 0.53698979724446 Energy: 0.5309468850466076 Energy: 0.5713090818976463 Energy: 0.5215759888804778 Energy: 0.5713090818969814 Energy: 0.5215759888804778 Energy: 0.5713090818976463 Energy: 0.5215759888804778 Energy: 0.5191766623708202 Energy: 0.5617534799921728 Energy: 0.5191766623708202 Energy: 0.5617534799921728 Energy: 0.5191766623708202 Energy: 0.5617534799928376 Energy: 0.5571438538191236 Energy: 0.5589926830941899 Energy: 0.5571438538191236 Energy: 0.5589926830941899 Energy: 0.5571438538191236 Energy: 0.5589926830941899 Energy: 0.5904754899939205 Energy: 0.508359246966276 Energy: 0.5904754899925907 Energy: 0.508359246966276 Energy: 0.5904754899939205 Energy: 0.508359246966276 Energy: 0.5106472238254047 Energy: 0.533036080185368 Energy: 0.5106472238247398 Energy: 0.5330360801860329 Energy: 0.5106472238247398 Energy: 0.533036080185368 Energy: 0.5468596964094583 Energy: 0.5456100480026096 Energy: 0.5468596964094583 Energy: 0.5456100480032745 Energy: 0.5468596964094583 Energy: 0.5456100480032745 Energy: 0.5648014293967007 Energy: 0.50770090850769 Energy: 0.5648014293973657 Energy: 0.50770090850769 Energy: 0.5648014293967007 Energy: 0.50770090850769 minimum gb energy = 0.503754866611982 eV minimum distance = 2.60873339637011 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.4638109840045407 Energy: 0.515261945766014 Energy: 0.46381098400341975 Energy: 0.515261945766014 Energy: 0.4638109840045407 Energy: 0.515261945766014 Energy: 0.48160923722853455 Energy: 0.49176207137657363 Energy: 0.48160923722909504 Energy: 0.49176207137657363 Energy: 0.48160923722853455 Energy: 0.49176207137657363 Energy: 0.5113952383298709 Energy: 0.4653862973019573 Energy: 0.5113952383298709 Energy: 0.4653862973025178 Energy: 0.5113952383304314 Energy: 0.4653862973019573 Energy: 0.4639537778820819 Energy: 0.4921043014507311 Energy: 0.4639537778820819 Energy: 0.4921043014507311 Energy: 0.4639537778820819 Energy: 0.4921043014507311 Energy: 0.4930661899686577 Energy: 0.4918616726192177 Energy: 0.4930661899686577 Energy: 0.4918616726197781 Energy: 0.4930661899686577 Energy: 0.4918616726197781 Energy: 0.5198866778966924 Energy: 0.4662805777965251 Energy: 0.5198866778972528 Energy: 0.46628057779596466 Energy: 0.5198866778972528 Energy: 0.46628057779596466 Energy: 0.4647608754535436 Energy: 0.5122071164396618 Energy: 0.4647608754535436 Energy: 0.5122071164396618 Energy: 0.4647608754535436 Energy: 0.5122071164396618 Energy: 0.510450838490937 Energy: 0.5102711079224517 Energy: 0.5104508384914973 Energy: 0.5102711079224517 Energy: 0.5104508384920579 Energy: 0.5102711079224517 Energy: 0.5097184102764051 Energy: 0.4663967870150435 Energy: 0.5097184102764051 Energy: 0.4663967870150435 Energy: 0.5097184102764051 Energy: 0.4663967870150435 Energy: 0.46392821094302944 Energy: 0.5113215170937985 Energy: 0.46392821094302944 Energy: 0.5113215170943589 Energy: 0.46392821094359 Energy: 0.5113215170943589 Energy: 0.46404867722010834 Energy: 0.5113370297108364 Energy: 0.46404867721898735 Energy: 0.5113370297108364 Energy: 0.46404867721954784 Energy: 0.5113370297108364 Energy: 0.5096843651000683 Energy: 0.4663513012062238 Energy: 0.5096843651000683 Energy: 0.46635130120678436 Energy: 0.5096843650995078 Energy: 0.4663513012062238 Energy: 0.5104572719392801 Energy: 0.5102854756361228 Energy: 0.5104572719381592 Energy: 0.5102854756361228 Energy: 0.5104572719370382 Energy: 0.5102854756361228 Energy: 0.46465081837964917 Energy: 0.5121733289309667 Energy: 0.4646508183790887 Energy: 0.5121733289309667 Energy: 0.46465081837964917 Energy: 0.5121733289309667 Energy: 0.5199215711308967 Energy: 0.46632254252889566 Energy: 0.519921571131457 Energy: 0.46632254252889566 Energy: 0.5199215711308967 Energy: 0.46632254252889566 Energy: 0.4931456826376125 Energy: 0.49207653916905675 Energy: 0.4931456826376125 Energy: 0.49207653916961724 Energy: 0.49314568263817293 Energy: 0.4920765391701777 Energy: 0.46394088503737846 Energy: 0.49221343883273383 Energy: 0.463940885036818 Energy: 0.49221343883273383 Energy: 0.463940885036818 Energy: 0.4922134388332943 Energy: 0.5113954861218681 Energy: 0.4655981395834732 Energy: 0.5113954861218681 Energy: 0.4655981395834732 Energy: 0.5113954861213076 Energy: 0.4655981395834732 Energy: 0.48169222556706115 Energy: 0.4917989188126518 Energy: 0.48169222556706115 Energy: 0.4917989188120913 Energy: 0.4816922255659402 Energy: 0.4917989188120913 Energy: 0.4638109840045407 Energy: 0.5152619457654536 Energy: 0.46381098400398024 Energy: 0.515261945766014 Energy: 0.4638109840051012 Energy: 0.515261945766014 Energy: 0.48160923722853455 Energy: 0.49176207137657363 Energy: 0.48160923722909504 Energy: 0.49176207137657363 Energy: 0.48160923722853455 Energy: 0.49176207137657363 Energy: 0.5113952383298709 Energy: 0.4653862973025178 Energy: 0.5113952383298709 Energy: 0.46538629730363873 Energy: 0.5113952383293104 Energy: 0.46538629730307823 Energy: 0.4639537778815215 Energy: 0.4921043014501706 Energy: 0.46395377788264236 Energy: 0.4921043014496101 Energy: 0.4639537778815215 Energy: 0.4921043014501706 Energy: 0.4930661899680973 Energy: 0.49186167261809666 Energy: 0.4930661899686577 Energy: 0.4918616726175362 Energy: 0.4930661899680973 Energy: 0.49186167261809666 Energy: 0.5198866778972528 Energy: 0.46628057779596466 Energy: 0.5198866778972528 Energy: 0.46628057779596466 Energy: 0.5198866778972528 Energy: 0.46628057779596466 minimum gb energy = 0.46381098400341975 eV minimum distance = 2.63946328474038 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.47039254714425166 Energy: 0.5783708889940385 Energy: 0.47039254714425166 Energy: 0.5783708889940385 Energy: 0.47039254714425166 Energy: 0.5783708889940385 Energy: 0.5292221772673027 Energy: 0.48655744076433044 Energy: 0.529222177266819 Energy: 0.48655744076433044 Energy: 0.5292221772673027 Energy: 0.48655744076433044 Energy: 0.5741181650400823 Energy: 0.45842765337860636 Energy: 0.5741181650400823 Energy: 0.45842765337860636 Energy: 0.574118165040566 Energy: 0.45842765337860636 Energy: 0.4560245329692005 Energy: 0.5549313038805169 Energy: 0.4560245329692005 Energy: 0.5549313038805169 Energy: 0.4560245329692005 Energy: 0.5549313038805169 Energy: 0.5055097529938241 Energy: 0.529488625073948 Energy: 0.5055097529933404 Energy: 0.5294886250744318 Energy: 0.5055097529938241 Energy: 0.5294886250744318 Energy: 0.5572796422645567 Energy: 0.4567740108288783 Energy: 0.5572796422640729 Energy: 0.4567740108288783 Energy: 0.5572796422640729 Energy: 0.4567740108288783 Energy: 0.45467053445933153 Energy: 0.5586854684695045 Energy: 0.45467053445884775 Energy: 0.5586854684695045 Energy: 0.45467053445884775 Energy: 0.5586854684724073 Energy: 0.4827934193806284 Energy: 0.5686809127252268 Energy: 0.4827934193806284 Energy: 0.568680912724743 Energy: 0.48279341938014464 Energy: 0.5686809127252268 Energy: 0.5768715338041179 Energy: 0.4487733435179716 Energy: 0.5768715338046017 Energy: 0.4487733435179716 Energy: 0.5768715338046017 Energy: 0.4487733435179716 Energy: 0.45946899485136333 Energy: 0.5207897951085687 Energy: 0.45946899485136333 Energy: 0.5207897951085687 Energy: 0.45946899485184717 Energy: 0.5207897951085687 Energy: 0.4518769969110582 Energy: 0.6120934669850687 Energy: 0.4518769969105743 Energy: 0.6120934669855524 Energy: 0.45187699691009053 Energy: 0.6120934669855524 Energy: 0.5273000866437274 Energy: 0.45939808542386246 Energy: 0.5273000866451789 Energy: 0.45939808542386246 Energy: 0.5273000866446951 Energy: 0.45939808542386246 Energy: 0.507821985398827 Energy: 0.4729453734901224 Energy: 0.507821985398827 Energy: 0.4729453734901224 Energy: 0.5078219853993107 Energy: 0.4729453734896386 Energy: 0.4557105820134044 Energy: 0.5539696268100542 Energy: 0.45571058201292064 Energy: 0.5539696268105381 Energy: 0.4557105820134044 Energy: 0.5539696268105381 Energy: 0.5206795690322022 Energy: 0.4526458550599622 Energy: 0.5206795690322022 Energy: 0.4526458550599622 Energy: 0.5206795690312346 Energy: 0.452645855060446 Energy: 0.6089805628658657 Energy: 0.44891770238515705 Energy: 0.6089805628658657 Energy: 0.44891770238515705 Energy: 0.6089805628663496 Energy: 0.44891770238515705 Energy: 0.4610441445055877 Energy: 0.5337899939825451 Energy: 0.46104414450510395 Energy: 0.5337899939820614 Energy: 0.46104414450510395 Energy: 0.5337899939815776 Energy: 0.509398794136871 Energy: 0.4646047159227559 Energy: 0.5093987941363871 Energy: 0.46460471592372354 Energy: 0.5093987941363871 Energy: 0.4646047159222721 Energy: 0.5633264365435966 Energy: 0.4562686676331999 Energy: 0.5633264365440803 Energy: 0.4562686676331999 Energy: 0.5633264365435966 Energy: 0.4562686676331999 Energy: 0.4608485599075338 Energy: 0.5338895041865668 Energy: 0.4608485599075338 Energy: 0.5338895041860828 Energy: 0.4608485599075338 Energy: 0.5338895041865668 Energy: 0.4538602676027412 Energy: 0.607998046295753 Energy: 0.4538602676027412 Energy: 0.607998046295753 Energy: 0.4538602676027412 Energy: 0.6079980462952692 Energy: 0.579667431009215 Energy: 0.4581568441997745 Energy: 0.579667431009215 Energy: 0.4581568442002583 Energy: 0.5796674310087312 Energy: 0.4581568441997745 Energy: 0.47125719165881647 Energy: 0.48870768702036965 Energy: 0.4712571916593003 Energy: 0.48870768702036965 Energy: 0.4712571916593003 Energy: 0.48870768702036965 Energy: 0.47083094603852 Energy: 0.5875882209176304 Energy: 0.4708309460394876 Energy: 0.5875882209176304 Energy: 0.47083094603852 Energy: 0.5875882209176304 Energy: 0.5266083727603647 Energy: 0.4582881087087057 Energy: 0.5266083727603647 Energy: 0.4582881087087057 Energy: 0.5266083727603647 Energy: 0.4582881087087057 Energy: 0.5186839598948468 Energy: 0.46319151107188217 Energy: 0.5186839598948468 Energy: 0.46319151107188217 Energy: 0.5186839598948468 Energy: 0.46319151107188217 Energy: 0.4515559817059704 Energy: 0.5467003532386254 Energy: 0.4515559817059704 Energy: 0.5467003532386254 Energy: 0.4515559817059704 Energy: 0.5467003532386254 Energy: 0.5269373646146253 Energy: 0.4563532321241523 Energy: 0.5269373646146253 Energy: 0.4563532321246361 Energy: 0.526937364615109 Energy: 0.4563532321241523 Energy: 0.5430179942448736 Energy: 0.45622370439434934 Energy: 0.543017994243906 Energy: 0.45622370439434934 Energy: 0.5430179942453575 Energy: 0.45622370439434934 minimum gb energy = 0.4487733435179716 eV minimum distance = 2.62149839976538 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.4476969559712326 Energy: 0.5696644587666806 Energy: 0.4476969559708074 Energy: 0.5696644587666806 Energy: 0.4476969559712326 Energy: 0.5696644587666806 Energy: 0.5654506006050364 Energy: 0.45402943229549403 Energy: 0.5654506006058869 Energy: 0.45402943229549403 Energy: 0.5654506006058869 Energy: 0.45402943229549403 Energy: 0.5544797262426546 Energy: 0.4354260612290884 Energy: 0.5544797262422294 Energy: 0.4354260612290884 Energy: 0.5544797262426546 Energy: 0.4354260612290884 Energy: 0.4297097991231029 Energy: 0.6048368726072196 Energy: 0.4297097991235282 Energy: 0.6048368726072196 Energy: 0.4297097991231029 Energy: 0.6048368726072196 Energy: 0.43540819462537006 Energy: 0.5116976754433941 Energy: 0.43540819462537006 Energy: 0.5116976754433941 Energy: 0.4354081946257953 Energy: 0.5116976754438194 Energy: 0.5537820781487439 Energy: 0.4299884444612758 Energy: 0.5537820781487439 Energy: 0.4299884444612758 Energy: 0.5537820781491694 Energy: 0.4299884444612758 Energy: 0.4389097186537078 Energy: 0.4463645180453497 Energy: 0.43890971865328254 Energy: 0.446364518045775 Energy: 0.43890971865328254 Energy: 0.4463645180449244 Energy: 0.43060936609826134 Energy: 0.5509047713266024 Energy: 0.4306093660978361 Energy: 0.5509047713270276 Energy: 0.4306093660978361 Energy: 0.5509047713266024 Energy: 0.5541918932711168 Energy: 0.43094694689540736 Energy: 0.5541918932715421 Energy: 0.430946946894982 Energy: 0.5541918932711168 Energy: 0.430946946894982 Energy: 0.43951425075756634 Energy: 0.5072359977765197 Energy: 0.43951425075969275 Energy: 0.4720964239248845 Energy: 0.43951425075969275 Energy: 0.4720964239236086 Energy: 0.42863647914746095 Energy: 0.6124823098185631 Energy: 0.42863647914746095 Energy: 0.6124823098185631 Energy: 0.42863647914788616 Energy: 0.6124823098185631 Energy: 0.5561079263323847 Energy: 0.466266354776609 Energy: 0.55610792633281 Energy: 0.45483070228591066 Energy: 0.5561079263319595 Energy: 0.45483070228591066 Energy: 0.568379917792238 Energy: 0.4354657761018223 Energy: 0.5683799177926632 Energy: 0.4354657761018223 Energy: 0.5683799177918127 Energy: 0.4354657761018223 Energy: 0.4504433049041163 Energy: 0.6069502077261696 Energy: 0.4504433049045417 Energy: 0.6069502077261696 Energy: 0.4504433049045417 Energy: 0.6069502077261696 Energy: 0.4480268868286242 Energy: 0.4502575363531088 Energy: 0.44802688682819897 Energy: 0.4502575363522582 Energy: 0.44802688682904956 Energy: 0.4502575363522582 Energy: 0.5117820930724705 Energy: 0.43682928005345645 Energy: 0.5117820930720451 Energy: 0.43682928005345645 Energy: 0.5117820930720451 Energy: 0.43682928005345645 Energy: 0.4289259837087224 Energy: 0.653551967017244 Energy: 0.4289259837087224 Energy: 0.653551967017244 Energy: 0.42892598370829715 Energy: 0.653551967017244 Energy: 0.4267677206415593 Energy: 0.5111469236740976 Energy: 0.42676772063985813 Energy: 0.5111469236740976 Energy: 0.426767720641134 Energy: 0.5111469236740976 Energy: 0.5532540170864927 Energy: 0.4310922872832771 Energy: 0.5532540170869179 Energy: 0.4310922872832771 Energy: 0.5532540170869179 Energy: 0.43109228728285176 Energy: 0.452949546236386 Energy: 0.45759031534999556 Energy: 0.4529495462368113 Energy: 0.45759031534999556 Energy: 0.45294954623553535 Energy: 0.4575903153495703 Energy: 0.43598963477441716 Energy: 0.6360290905182394 Energy: 0.4359896347739919 Energy: 0.6360290905182394 Energy: 0.4359896347739919 Energy: 0.6360290905182394 Energy: 0.6310815330031805 Energy: 0.43032618038844583 Energy: 0.6310815330027553 Energy: 0.43032618038844583 Energy: 0.6310815330031805 Energy: 0.43032618038844583 Energy: 0.512782892960286 Energy: 0.4302781881991727 Energy: 0.5127828929598608 Energy: 0.4302781881991727 Energy: 0.5127828929590101 Energy: 0.43027818819874747 Energy: 0.429738011475933 Energy: 0.5563489990038344 Energy: 0.42973801147510177 Energy: 0.5563489990021334 Energy: 0.429738011475933 Energy: 0.556348999002984 Energy: 0.49124013851151166 Energy: 0.4490931381499743 Energy: 0.49124013851151166 Energy: 0.4490931381499743 Energy: 0.491240138511937 Energy: 0.4490931381499743 Energy: 0.5701146011413655 Energy: 0.43695174155140776 Energy: 0.5701146011413655 Energy: 0.43695174155140776 Energy: 0.5701146011417909 Energy: 0.43695174155140776 Energy: 0.44777922640948925 Energy: 0.5235820160901602 Energy: 0.44777922640906387 Energy: 0.523582016089735 Energy: 0.44777922640948925 Energy: 0.5235820160893097 Energy: 0.4479213629707037 Energy: 0.4531335044654805 Energy: 0.4479213629698531 Energy: 0.4531335044625036 Energy: 0.4479213629702783 Energy: 0.4531335044637794 Energy: 0.5564530695620953 Energy: 0.4354725512686902 Energy: 0.5564530695625206 Energy: 0.43547255126826495 Energy: 0.5564530695620953 Energy: 0.4354725512686902 Energy: 0.4263830652765728 Energy: 0.45226015175496836 Energy: 0.4263830652769982 Energy: 0.45226015175326717 Energy: 0.4263830652769982 Energy: 0.45226015175326717 Energy: 0.42891658355283446 Energy: 0.5618012562279326 Energy: 0.42891658355283446 Energy: 0.5618012562275074 Energy: 0.42891658355283446 Energy: 0.5618012562275074 Energy: 0.5901150499323818 Energy: 0.43040009049027955 Energy: 0.5901150499319565 Energy: 0.43040009049027955 Energy: 0.5901150499328072 Energy: 0.43040009049027955 Energy: 0.5225244132484459 Energy: 0.43027785138073915 Energy: 0.5225244132467448 Energy: 0.4302778513803139 Energy: 0.5225244132484459 Energy: 0.4302778513803139 minimum gb energy = 0.4263830652765728 eV minimum distance = 2.63409071341709 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011705483600745772 Energy: 0.5873291740378198 Energy: 0.011705483600745772 Energy: 0.5873291740378198 Energy: 0.011705483601079496 Energy: 0.5873291740378198 Energy: 0.013305802659844244 Energy: 0.19919459846988888 Energy: 0.013305802659510525 Energy: 0.1991945984702226 Energy: 0.013305802659510525 Energy: 0.19919459846988888 Energy: 0.5873446373411689 Energy: 0.20024402303435238 Energy: 0.5873446373397752 Energy: 0.20024402303331196 Energy: 0.5873446372582684 Energy: 0.2002440230336653 Energy: 0.01330580265811674 Energy: 0.1991945984702226 Energy: 0.013305802658470095 Energy: 0.1991945984692018 Energy: 0.013305802658470095 Energy: 0.19919459846988888 minimum gb energy = 0.011705483600745772 eV minimum distance = 2.83998504594223 Angstroms sigma value = 1