Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_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=4.040926471352577 cohesive_energy=3.905455928316686 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: 0.01208089878614973 Energy: 0.42448146749846793 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.42448146749871896 Energy: 0.452351734078645 Energy: 0.42448146749846793 Energy: 0.452351734078394 Energy: 0.4244814674982169 Energy: 0.452351734078645 Energy: 0.01208089878614973 Energy: 0.42448146749846793 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.4244814674989699 Energy: 0.45235173407644197 Energy: 0.42448146749846793 Energy: 0.452351734078645 Energy: 0.42448146749846793 Energy: 0.452351734078394 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.01208089878614973 Energy: 0.4244814674982169 Energy: 0.01208089878614973 Energy: 0.42448146749871896 Energy: 0.42448146749846793 Energy: 0.452351734078394 Energy: 0.42448146749871896 Energy: 0.452351734078645 Energy: 0.42448146749871896 Energy: 0.452351734078143 minimum gb energy = 0.01208089878614973 eV minimum distance = 2.5884365737558 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5604594864171375 Energy: 0.5611035785639725 Energy: 0.5604594864183459 Energy: 0.5611035785627643 Energy: 0.5604594864189498 Energy: 0.5611035785633686 Energy: 0.6319594122613865 Energy: 0.5438561515340997 Energy: 0.631959412263199 Energy: 0.5438561515334955 Energy: 0.631959412263199 Energy: 0.5438561515340997 Energy: 0.540633273295238 Energy: 0.5788109352930381 Energy: 0.5538196510349006 Energy: 0.5788109352924339 Energy: 0.540633273294634 Energy: 0.5788109352918298 Energy: 0.5845598340223725 Energy: 0.5509722183932655 Energy: 0.5845598340247892 Energy: 0.5509722183932655 Energy: 0.5845598340241851 Energy: 0.5509722183932655 Energy: 0.5464508980205043 Energy: 0.5831729106027338 Energy: 0.546450898019296 Energy: 0.5831729106033379 Energy: 0.546450898019296 Energy: 0.5831729106033379 Energy: 0.58454695451473 Energy: 0.5280129369044406 Energy: 0.5845469545165425 Energy: 0.5280129369056488 Energy: 0.5845469545159383 Energy: 0.5280129369056488 Energy: 0.5405372449031279 Energy: 0.5463616317285502 Energy: 0.5405372449037321 Energy: 0.5463616317297585 Energy: 0.5405372449019196 Energy: 0.5463616317291544 Energy: 0.5464938652224871 Energy: 0.5809050193260711 Energy: 0.5464938652224871 Energy: 0.5809050193260711 Energy: 0.5464938652230914 Energy: 0.5809050193266752 Energy: 0.5901453627951552 Energy: 0.551862472079617 Energy: 0.590145362794551 Energy: 0.551862472079617 Energy: 0.590145362794551 Energy: 0.551862472079617 Energy: 0.5327115414445999 Energy: 0.5710442715282381 Energy: 0.5327115414433915 Energy: 0.5710442715294464 Energy: 0.5327115414445999 Energy: 0.571044271527634 Energy: 0.6673391044281914 Energy: 0.527167556309474 Energy: 0.6673391044287956 Energy: 0.527167556309474 Energy: 0.6673391044287956 Energy: 0.527167556309474 Energy: 0.5425030350062239 Energy: 0.6148689590719474 Energy: 0.5425030350068278 Energy: 0.6148689590719474 Energy: 0.5425030350068278 Energy: 0.6148689590713432 Energy: 0.6279853280481847 Energy: 0.5420442416312818 Energy: 0.6279853280457681 Energy: 0.5420442416306778 Energy: 0.6279853280463723 Energy: 0.5420442416294694 Energy: 0.5375139164659752 Energy: 0.5549582105983588 Energy: 0.5375139164659752 Energy: 0.5549582105983588 Energy: 0.5375139164659752 Energy: 0.5549582105983588 Energy: 0.603835750369527 Energy: 0.5363166818175484 Energy: 0.6038357503671105 Energy: 0.5363166818187567 Energy: 0.6038357503671105 Energy: 0.5363166818187567 Energy: 0.6034769275728712 Energy: 0.5670439643036562 Energy: 0.6034769275734754 Energy: 0.5670439643048645 Energy: 0.6034769275728712 Energy: 0.5670439643036562 Energy: 0.538896587095118 Energy: 0.5677359041261367 Energy: 0.5388965870969304 Energy: 0.5677359041261367 Energy: 0.5388965870969304 Energy: 0.5677359041255327 Energy: 0.5388586412898414 Energy: 0.5527143126441677 Energy: 0.5388586412904455 Energy: 0.5527143126435635 Energy: 0.5388586412898414 Energy: 0.5527143126441677 Energy: 0.5354180392812449 Energy: 0.5500469722753714 Energy: 0.5354180392812449 Energy: 0.5500469722753714 Energy: 0.5354180392812449 Energy: 0.5500469722759754 Energy: 0.5847835823577443 Energy: 0.5279351439229043 Energy: 0.5847835823571401 Energy: 0.5279351439229043 Energy: 0.5847835823571401 Energy: 0.5279351439229043 Energy: 0.5471717788891087 Energy: 0.5963609557528808 Energy: 0.5471717788891087 Energy: 0.5963609557516726 Energy: 0.5471717788885045 Energy: 0.5963609557516726 Energy: 0.5718229785958775 Energy: 0.5476420231732291 Energy: 0.5718229785952734 Energy: 0.5476420231732291 Energy: 0.5718229785946692 Energy: 0.5476420231732291 Energy: 0.5416088382436278 Energy: 0.5997774733038622 Energy: 0.5416088382442319 Energy: 0.5997774733038622 Energy: 0.5416088382430236 Energy: 0.5997774733026541 minimum gb energy = 0.527167556309474 eV minimum distance = 2.55593927837103 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5934643481543468 Energy: 0.5870850452050009 Energy: 0.5744602395629583 Energy: 0.5870850452050009 Energy: 0.5934643481543468 Energy: 0.5870850452019082 Energy: 0.6130226911796435 Energy: 0.5424633492415764 Energy: 0.6130226911796435 Energy: 0.5424633492415764 Energy: 0.6130226911786125 Energy: 0.5424633492446691 Energy: 0.5490801775468774 Energy: 0.5440323222960217 Energy: 0.5490801775523757 Energy: 0.5440323222960217 Energy: 0.5490801775475648 Energy: 0.5440323223025508 Energy: 0.6134341662548972 Energy: 0.58631243120082 Energy: 0.6134341662521482 Energy: 0.5863124312004763 Energy: 0.6134341662545536 Energy: 0.586312431203569 Energy: 0.560442665479477 Energy: 0.5787799784525449 Energy: 0.5604426654808515 Energy: 0.5787799784525449 Energy: 0.5604426654787897 Energy: 0.5787799784604485 Energy: 0.5528159514396377 Energy: 0.5490914150802657 Energy: 0.5528159514427304 Energy: 0.5490914150806093 Energy: 0.5528159514399813 Energy: 0.5490914150812967 Energy: 0.5937378542608575 Energy: 0.563178330125436 Energy: 0.593505923000786 Energy: 0.563178330125436 Energy: 0.5937378542605138 Energy: 0.5631783301230305 Energy: 0.5468134973315292 Energy: 0.5936913331195351 Energy: 0.5464897938174473 Energy: 0.5936913331202225 Energy: 0.5468134973318728 Energy: 0.5936913331270952 Energy: 0.56671913725994 Energy: 0.5502861025968271 Energy: 0.5667191372592528 Energy: 0.5502861025968271 Energy: 0.5667191372595966 Energy: 0.5502861025951089 Energy: 0.5393318895490322 Energy: 0.6271962360029045 Energy: 0.5393134656606128 Energy: 0.6271962360015302 Energy: 0.5393318895480014 Energy: 0.6271962360035919 Energy: 0.6399844397814796 Energy: 0.5409500027477994 Energy: 0.6399844397787305 Energy: 0.5409500027477994 Energy: 0.6399844397821669 Energy: 0.5409500027491739 Energy: 0.5490265456587797 Energy: 0.5883818679997789 Energy: 0.5490268674295408 Energy: 0.5883818679997789 Energy: 0.5490265456587797 Energy: 0.5883818679966861 Energy: 0.5436792499719775 Energy: 0.5495319550874121 Energy: 0.5436792499695721 Energy: 0.5495319550877558 Energy: 0.5436792499723212 Energy: 0.5495319550891303 Energy: 0.5436916705087893 Energy: 0.5852440520232465 Energy: 0.5436916705115383 Energy: 0.5852440520229029 Energy: 0.5436916705084455 Energy: 0.5852440520187792 Energy: 0.5723949614874407 Energy: 0.5424948615945634 Energy: 0.5723949614850352 Energy: 0.5424948615942197 Energy: 0.5723949614874407 Energy: 0.5424948615952506 Energy: 0.5491544805191203 Energy: 0.5425554726031725 Energy: 0.5491544805273676 Energy: 0.5425554726028289 Energy: 0.5491544805249621 Energy: 0.5425554726103888 Energy: 0.5954313154483772 Energy: 0.568931385215445 Energy: 0.5954313154538753 Energy: 0.5689313852151012 Energy: 0.5954313154487209 Energy: 0.5689313852157886 Energy: 0.5611737245893135 Energy: 0.5495600364738197 Energy: 0.5611737245900007 Energy: 0.5495600364731325 Energy: 0.5611737245896571 Energy: 0.5495600364765689 Energy: 0.5537468740209479 Energy: 0.5493597892927483 Energy: 0.5537468740147626 Energy: 0.5493597892927483 Energy: 0.5537468740209479 Energy: 0.5493597893020264 Energy: 0.5846031726627301 Energy: 0.5648389686634855 Energy: 0.5846031726562011 Energy: 0.5648389686638291 Energy: 0.5846031726623866 Energy: 0.5648389686587059 Energy: 0.53651155029123 Energy: 0.5935903999655217 Energy: 0.5365115502877937 Energy: 0.5935903999658653 Energy: 0.53651155029123 Energy: 0.5935903999648343 Energy: 0.5449188210809538 Energy: 0.5509837025751181 Energy: 0.5449188210843903 Energy: 0.5509837025747744 Energy: 0.5449188210809538 Energy: 0.5509837025682454 Energy: 0.5387049129307003 Energy: 0.6266451529847595 Energy: 0.5387067594288965 Energy: 0.6266451529851033 Energy: 0.5387049129303567 Energy: 0.6266451529868214 Energy: 0.6368228316684572 Energy: 0.563100289104649 Energy: 0.6368228316725808 Energy: 0.5631002891049927 Energy: 0.6368228316691444 Energy: 0.5631002891012128 Energy: 0.5498690204122381 Energy: 0.552654558520111 Energy: 0.5501349719504582 Energy: 0.552654558521142 Energy: 0.5498690204122381 Energy: 0.5526545585235474 Energy: 0.5939621156099173 Energy: 0.5786770158727321 Energy: 0.5749368151510664 Energy: 0.5786770158662031 Energy: 0.5939621156099173 Energy: 0.5786770158689521 Energy: 0.593758443126056 Energy: 0.5619064992286429 Energy: 0.5748515589261664 Energy: 0.5619064992289865 Energy: 0.5937584431253687 Energy: 0.5619064992331101 Energy: 0.5499704598914456 Energy: 0.5430365027342424 Energy: 0.5499704598897275 Energy: 0.543036502734586 Energy: 0.5499704598914456 Energy: 0.5430365027349296 Energy: 0.6282190748150378 Energy: 0.5427269606587435 Energy: 0.628219074812976 Energy: 0.5427269606587435 Energy: 0.6282190748153814 Energy: 0.5427269606563381 Energy: 0.5386865667857275 Energy: 0.6386879584064715 Energy: 0.5386865667853837 Energy: 0.6386879584071589 Energy: 0.5386865667857275 Energy: 0.6386879584068151 Energy: 0.5607457294376917 Energy: 0.5502037831161628 Energy: 0.5607457294390662 Energy: 0.5502037831165064 Energy: 0.5607457294376917 Energy: 0.55020378311685 Energy: 0.548870548792318 Energy: 0.5640925972691159 Energy: 0.5488705487854454 Energy: 0.5640925972698031 Energy: 0.5488705487916307 Energy: 0.5640925972711777 Energy: 0.5933497855094823 Energy: 0.5648298958282196 Energy: 0.5931569088095808 Energy: 0.564829895827876 Energy: 0.5933497855094823 Energy: 0.5648298958306252 Energy: 0.5431569346491797 Energy: 0.5724574550859945 Energy: 0.5431569346481487 Energy: 0.5724574550859945 Energy: 0.5431569346484924 Energy: 0.5724574550918362 Energy: 0.544294594708014 Energy: 0.5490816775006773 Energy: 0.5442945947038904 Energy: 0.5490816775020518 Energy: 0.5442945947076704 Energy: 0.5490816774996464 Energy: 0.5867339677160667 Energy: 0.5918563991238022 Energy: 0.5867339677164103 Energy: 0.5918563991234586 Energy: 0.5867339677164103 Energy: 0.5918563991196786 Energy: 0.5493458322741908 Energy: 0.5614003275074098 Energy: 0.5493183639533933 Energy: 0.5614003275074098 Energy: 0.549345832274878 Energy: 0.5614003275077534 Energy: 0.5538206958209739 Energy: 0.55303678708323 Energy: 0.5538206958178812 Energy: 0.5530367870839172 Energy: 0.5538206958213175 Energy: 0.5530367870794501 Energy: 0.5491072345301173 Energy: 0.588159518781264 Energy: 0.5491072345308046 Energy: 0.588159518781264 Energy: 0.5491072345297737 Energy: 0.5881595187767966 Energy: 0.5936386808531751 Energy: 0.5359087448582353 Energy: 0.5936386808483641 Energy: 0.5359087448578915 Energy: 0.5936386808524877 Energy: 0.5359087448572042 Energy: 0.548967113549313 Energy: 0.5582870319767316 Energy: 0.5489671135486258 Energy: 0.5582870319770752 Energy: 0.5489671135496567 Energy: 0.5582870319784498 minimum gb energy = 0.5359087448572042 eV minimum distance = 2.69226368960162 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.563421122535876 Energy: 0.569503329814568 Energy: 0.5634211225366722 Energy: 0.569503329814568 Energy: 0.5634211225350799 Energy: 0.5695033298153642 Energy: 0.6064486152423766 Energy: 0.5557372567407122 Energy: 0.6064486152431728 Energy: 0.5557372567407122 Energy: 0.6064486152431728 Energy: 0.5557372567407122 Energy: 0.5321140425354397 Energy: 0.5701323799771768 Energy: 0.5321140425354397 Energy: 0.5701323799771768 Energy: 0.532114042536236 Energy: 0.5701323799771768 Energy: 0.5657148458755884 Energy: 0.5340987035386272 Energy: 0.5657148458747921 Energy: 0.5340987035386272 Energy: 0.5657148458755884 Energy: 0.5340987035394233 Energy: 0.5778771746086305 Energy: 0.540614242686695 Energy: 0.5778771746086305 Energy: 0.540614242686695 Energy: 0.5778771746086305 Energy: 0.540614242686695 Energy: 0.5771530349252645 Energy: 0.5403561613636325 Energy: 0.5771530349252645 Energy: 0.5403561613636325 Energy: 0.5771530349260607 Energy: 0.5403561613636325 Energy: 0.5663283068322561 Energy: 0.5403302077040338 Energy: 0.566328306831496 Energy: 0.5403302077040338 Energy: 0.566328306831496 Energy: 0.5403302077040338 Energy: 0.5339212434283357 Energy: 0.5408797621236975 Energy: 0.5339212434291319 Energy: 0.5408797621236975 Energy: 0.5339212434291319 Energy: 0.5408797621236975 Energy: 0.6583592958712478 Energy: 0.5317463893450177 Energy: 0.6583592958720438 Energy: 0.531746389345814 Energy: 0.6583592958704516 Energy: 0.5317463893450177 Energy: 0.5455846143736861 Energy: 0.6509679762767141 Energy: 0.5455846143728899 Energy: 0.6509679762767141 Energy: 0.5455846143736861 Energy: 0.6509679762775104 Energy: 0.5771955532714325 Energy: 0.5338930189515955 Energy: 0.5771955532714325 Energy: 0.5338930189507992 Energy: 0.5771955532722287 Energy: 0.5338930189515955 Energy: 0.5654138908903965 Energy: 0.5710788990310864 Energy: 0.5654138908903965 Energy: 0.5710788990310864 Energy: 0.5654138908911926 Energy: 0.5710788990310864 Energy: 0.642450467811844 Energy: 0.5557480198875354 Energy: 0.642450467811844 Energy: 0.5557480198867393 Energy: 0.6424504678110478 Energy: 0.5557480198867393 Energy: 0.5323460684208747 Energy: 0.5430890144016827 Energy: 0.5323460684208747 Energy: 0.5430890144016827 Energy: 0.5323460684200785 Energy: 0.5430890144008864 Energy: 0.5606369053189553 Energy: 0.569316514893884 Energy: 0.5606369053189553 Energy: 0.569316514893884 Energy: 0.5606369053197514 Energy: 0.5693165148930879 Energy: 0.5771844744042065 Energy: 0.5403211771703736 Energy: 0.5771844744042065 Energy: 0.5403211771695775 Energy: 0.5771844744042065 Energy: 0.5403211771695775 Energy: 0.5779887327689897 Energy: 0.577170481898123 Energy: 0.5779887327689897 Energy: 0.5771704818997154 Energy: 0.5779887327697858 Energy: 0.577170481898123 Energy: 0.5644993787592313 Energy: 0.5426778622178705 Energy: 0.564499378758435 Energy: 0.5426778622178705 Energy: 0.564499378758435 Energy: 0.5426778622178705 minimum gb energy = 0.5317463893450177 eV minimum distance = 2.56199270065136 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.542173023277637 Energy: 0.5580227809795573 Energy: 0.5214066083466419 Energy: 0.5580227809838078 Energy: 0.5421730232804707 Energy: 0.5580227809838078 Energy: 0.5777634146120064 Energy: 0.5606021992825148 Energy: 0.5777634146105897 Energy: 0.560602199286293 Energy: 0.5777634146124788 Energy: 0.560602199286293 Energy: 0.5112087373489119 Energy: 0.578948136494924 Energy: 0.5112087373479675 Energy: 0.5789481364991745 Energy: 0.5112087373493843 Energy: 0.5789481364987024 Energy: 0.5695188114521381 Energy: 0.5111680005354071 Energy: 0.5695188114516658 Energy: 0.5111680005349348 Energy: 0.5695188114521381 Energy: 0.5111680005349348 Energy: 0.5303611155772339 Energy: 0.5125904364469375 Energy: 0.5303611155767616 Energy: 0.5125904364497712 Energy: 0.530361115577706 Energy: 0.5125904364502434 Energy: 0.506153820358082 Energy: 0.5124916517185419 Energy: 0.5061538203576097 Energy: 0.5124916517180697 Energy: 0.5061538203604433 Energy: 0.5124916517175974 Energy: 0.515011980711973 Energy: 0.5113514316150225 Energy: 0.5150119807110285 Energy: 0.511351431608883 Energy: 0.515011980708667 Energy: 0.511351431608883 Energy: 0.5113432796902166 Energy: 0.6114254760001049 Energy: 0.5113428750614397 Energy: 0.611425475996799 Energy: 0.5113432796911612 Energy: 0.6114254759963266 Energy: 0.5265717746913897 Energy: 0.5657115402948408 Energy: 0.526571774693279 Energy: 0.5657115402953132 Energy: 0.5265717746923344 Energy: 0.5657115402953132 Energy: 0.4898072745581384 Energy: 0.5557497083196147 Energy: 0.48980727455766615 Energy: 0.5557497083177254 Energy: 0.4898072745586107 Energy: 0.5557497083177254 Energy: 0.5777634146082282 Energy: 0.5606021992834593 Energy: 0.577763414609645 Energy: 0.5606021992872376 Energy: 0.577763414611062 Energy: 0.5606021992877099 Energy: 0.5112087373493843 Energy: 0.5789481364958686 Energy: 0.5112087373484396 Energy: 0.5789481364991745 Energy: 0.5112087373493843 Energy: 0.5789481364991745 Energy: 0.5695188114511937 Energy: 0.5112338949072431 Energy: 0.5695188114507214 Energy: 0.5112338949077153 Energy: 0.5695188114530827 Energy: 0.5112338949077153 Energy: 0.530361115577706 Energy: 0.5126188460482854 Energy: 0.5303611155753448 Energy: 0.5126188460525359 Energy: 0.530361115575817 Energy: 0.5126188460501746 Energy: 0.5177079967875077 Energy: 0.5122317808401081 Energy: 0.5173383224876682 Energy: 0.512231780841525 Energy: 0.5177079967856186 Energy: 0.5122317808410527 Energy: 0.515011980711973 Energy: 0.511351431615967 Energy: 0.5150119807115007 Energy: 0.5113514316102996 Energy: 0.5150119807105562 Energy: 0.511351431610772 Energy: 0.5113835710223879 Energy: 0.6114254759982156 Energy: 0.5114123425007858 Energy: 0.6114254759953821 Energy: 0.5113835710214434 Energy: 0.6114254759953821 Energy: 0.5336870582669835 Energy: 0.5657115402948408 Energy: 0.5389948957694586 Energy: 0.5657115402957855 Energy: 0.533687058269817 Energy: 0.5657115402962577 Energy: 0.5421730232790537 Energy: 0.5580227809809741 Energy: 0.5214066083480586 Energy: 0.5580227809833355 Energy: 0.5421730232785815 Energy: 0.5580227809828632 Energy: 0.5777634146115341 Energy: 0.5606021992834593 Energy: 0.5777634146115341 Energy: 0.5606021992872376 Energy: 0.5777634146124788 Energy: 0.5606021992872376 Energy: 0.5112087373517458 Energy: 0.5789481364958686 Energy: 0.5112087373498566 Energy: 0.5789481364996468 Energy: 0.5112087373517458 Energy: 0.5789481365001191 Energy: 0.5695188114526104 Energy: 0.5111680005363517 Energy: 0.5695188114521381 Energy: 0.5111680005363517 Energy: 0.5695188114526104 Energy: 0.5111680005363517 Energy: 0.5303611155767616 Energy: 0.5125904364478819 Energy: 0.5303611155762893 Energy: 0.5125904364516602 Energy: 0.5303611155762893 Energy: 0.5125904364516602 Energy: 0.5061538203594987 Energy: 0.5124916517185419 Energy: 0.5061538203604433 Energy: 0.5124916517185419 Energy: 0.5061538203604433 Energy: 0.5124916517185419 Energy: 0.5150119807124452 Energy: 0.5113514316150225 Energy: 0.5150119807100838 Energy: 0.5113514316079383 Energy: 0.5150119807091392 Energy: 0.5113514316079383 Energy: 0.5113432796916335 Energy: 0.6114254759991603 Energy: 0.511342875060023 Energy: 0.6114254759972712 Energy: 0.5113432796921058 Energy: 0.6114254759972712 Energy: 0.5265717746904452 Energy: 0.5657115402957855 Energy: 0.526571774693279 Energy: 0.5657115402957855 Energy: 0.526571774693279 Energy: 0.5657115402957855 Energy: 0.4898072745586107 Energy: 0.5557497083215037 Energy: 0.4898072745586107 Energy: 0.5557497083186701 Energy: 0.4898072745581384 Energy: 0.5557497083186701 Energy: 0.577763414611062 Energy: 0.5606021992839316 Energy: 0.577763414611062 Energy: 0.5606021992881821 Energy: 0.5777634146115341 Energy: 0.5606021992881821 Energy: 0.5112087373479675 Energy: 0.5789481364963409 Energy: 0.5112087373470229 Energy: 0.5789481365024806 Energy: 0.5112087373479675 Energy: 0.5789481365024806 minimum gb energy = 0.48980727455766615 eV minimum distance = 2.62893079488261 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.4833569653417138 Energy: 0.46587281279075504 Energy: 0.4833569653417138 Energy: 0.46587281279075504 Energy: 0.4833569653417138 Energy: 0.46587281279075504 Energy: 0.5490654033440817 Energy: 0.493626729736283 Energy: 0.5490654033406112 Energy: 0.4936267297339693 Energy: 0.549065403341768 Energy: 0.493626729736283 Energy: 0.48017853550232514 Energy: 0.5395735704565041 Energy: 0.480178535503482 Energy: 0.539573570457661 Energy: 0.48017853550232514 Energy: 0.5395735704565041 Energy: 0.5246361115992553 Energy: 0.45239240723381785 Energy: 0.524636111601569 Energy: 0.45239240723381785 Energy: 0.5246361115980984 Energy: 0.45239240723381785 Energy: 0.5455451648796358 Energy: 0.4520946390102134 Energy: 0.5455451648784789 Energy: 0.45209463901137026 Energy: 0.5455451648784789 Energy: 0.45209463901137026 Energy: 0.5218734667723258 Energy: 0.5470593406749732 Energy: 0.5218734667723258 Energy: 0.5470593406749732 Energy: 0.5218734667723258 Energy: 0.5470593406749732 Energy: 0.49141768114378287 Energy: 0.49559468179426075 Energy: 0.4914176811449397 Energy: 0.49559468179426075 Energy: 0.4914176811449397 Energy: 0.49559468179426075 Energy: 0.4863451416582861 Energy: 0.4686918407433132 Energy: 0.4863451416594429 Energy: 0.4686918407421564 Energy: 0.4863451416582861 Energy: 0.4686918407421564 Energy: 0.5012752838714833 Energy: 0.4801292335430431 Energy: 0.5012752838703265 Energy: 0.48012923348522707 Energy: 0.5012752838714833 Energy: 0.48012923344592057 Energy: 0.5141637227084304 Energy: 0.5392402932464107 Energy: 0.5141637227084304 Energy: 0.5392402932464107 Energy: 0.5141637227095871 Energy: 0.5392402932452538 Energy: 0.5244732951606293 Energy: 0.4518936567173984 Energy: 0.5244732951629429 Energy: 0.4518936567173984 Energy: 0.46606402310799283 Energy: 0.4518936567173984 Energy: 0.5449047526061306 Energy: 0.5007210700685288 Energy: 0.5449047526061306 Energy: 0.5007210700685288 Energy: 0.5449047526061306 Energy: 0.5007210700685288 minimum gb energy = 0.4518936567173984 eV minimum distance = 2.54843677178628 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.45497271621574675 Energy: 0.45298398566604076 Energy: 0.45497271621574675 Energy: 0.45298398566571574 Energy: 0.45497271621574675 Energy: 0.45298398566506565 Energy: 0.47143424328039985 Energy: 0.4567543002830564 Energy: 0.4714342432826752 Energy: 0.45675430028240627 Energy: 0.4714342432823501 Energy: 0.44111763225982814 Energy: 0.4149152469030426 Energy: 0.4638542534762972 Energy: 0.4149152469030426 Energy: 0.4638542534561739 Energy: 0.41491524690174236 Energy: 0.4638542534788976 Energy: 0.43579642854530926 Energy: 0.419962339558071 Energy: 0.4357964285469345 Energy: 0.419962339558071 Energy: 0.4357964285479096 Energy: 0.419962339558396 Energy: 0.46092739267380806 Energy: 0.4370242004860003 Energy: 0.4609273926754333 Energy: 0.43702420048665036 Energy: 0.4609273926744582 Energy: 0.4370242004853797 Energy: 0.4518419102265555 Energy: 0.46167869243175913 Energy: 0.4518419102255804 Energy: 0.45503132334491725 Energy: 0.4518419102255804 Energy: 0.4550313233455673 Energy: 0.4282947537329227 Energy: 0.48742406318826526 Energy: 0.4282947537325977 Energy: 0.4874240631892404 Energy: 0.4282947537319476 Energy: 0.4874240631889154 Energy: 0.40319404958887306 Energy: 0.5007095801624171 Energy: 0.4031940495869228 Energy: 0.5007095801620921 Energy: 0.4031940495869228 Energy: 0.5007095801620921 Energy: 0.4216308892730165 Energy: 0.4370438719385162 Energy: 0.42163088926716563 Energy: 0.43704387193884126 Energy: 0.4216308892678157 Energy: 0.43704387193916633 Energy: 0.4676201455683788 Energy: 0.44255808212707126 Energy: 0.4676201455687038 Energy: 0.4425580821455989 Energy: 0.4676201455683788 Energy: 0.44255808211634473 Energy: 0.43586122424992635 Energy: 0.4172987877891916 Energy: 0.43586122424895113 Energy: 0.41729878778951673 Energy: 0.4358612242483011 Energy: 0.4172987877891916 Energy: 0.43265676452905355 Energy: 0.4586317524351585 Energy: 0.4326567645284035 Energy: 0.4586317524348335 Energy: 0.4326567645284035 Energy: 0.45863175243548354 Energy: 0.4455456820334321 Energy: 0.44831870505865157 Energy: 0.44554568203180683 Energy: 0.44831870505865157 Energy: 0.445545682032457 Energy: 0.44831870505865157 Energy: 0.4550485527144997 Energy: 0.43417129548030897 Energy: 0.4550485527148247 Energy: 0.43417129547998395 Energy: 0.45504855271319955 Energy: 0.43417129547933386 Energy: 0.42571296590475316 Energy: 0.4652320433831536 Energy: 0.4257129659050781 Energy: 0.4652320433834787 Energy: 0.42571296590475316 Energy: 0.4652320433831536 Energy: 0.42870574191635225 Energy: 0.43691258077048667 Energy: 0.4287057419179775 Energy: 0.43691258077048667 Energy: 0.4287057419170024 Energy: 0.43691258077048667 Energy: 0.4486054149382149 Energy: 0.41659836522679655 Energy: 0.44860541490408506 Energy: 0.41659836522679655 Energy: 0.44860541492651324 Energy: 0.4165983652271216 Energy: 0.43579209647719497 Energy: 0.4357970148154748 Energy: 0.4357920964781702 Energy: 0.43579701481482463 Energy: 0.43579209647719497 Energy: 0.4357970148144996 Energy: 0.40703720091342493 Energy: 0.5506372224269304 Energy: 0.40703720091147466 Energy: 0.5506372224282305 Energy: 0.40703720091342493 Energy: 0.5506372224282305 Energy: 0.4942568305053112 Energy: 0.4199586465771451 Energy: 0.49425683050271085 Energy: 0.4199586465732446 Energy: 0.49425683050141067 Energy: 0.4199586465732446 Energy: 0.407047688647879 Energy: 0.5500915059127348 Energy: 0.407047688648204 Energy: 0.5500915059130599 Energy: 0.40704768864950425 Energy: 0.5500915059130599 Energy: 0.43538106984803165 Energy: 0.43567755763205235 Energy: 0.4353810698493319 Energy: 0.43567755763367744 Energy: 0.43538106984803165 Energy: 0.4356775576333524 Energy: 0.44843661197327167 Energy: 0.41639173094739357 Energy: 0.4484366120242744 Energy: 0.4163917309467434 Energy: 0.4484366120242744 Energy: 0.4163917309447932 Energy: 0.4285422250388042 Energy: 0.44435363441606857 Energy: 0.42854222503750405 Energy: 0.44435363441834386 Energy: 0.42854222503847916 Energy: 0.44435363441314313 Energy: 0.4256936562588908 Energy: 0.4652644616688447 Energy: 0.42569365625986594 Energy: 0.46526446166754454 Energy: 0.4256936562572656 Energy: 0.46526446166851965 Energy: 0.45504287690266226 Energy: 0.4529935080463569 Energy: 0.4550428769000619 Energy: 0.4529935080460319 Energy: 0.45504287690201217 Energy: 0.45299350804570687 Energy: 0.44568329929746586 Energy: 0.44843641232832343 Energy: 0.44568329929714084 Energy: 0.44843641232832343 Energy: 0.44568329929746586 Energy: 0.44843641232832343 Energy: 0.43245340372207886 Energy: 0.44369698584470146 Energy: 0.4324534037204536 Energy: 0.44369698584470146 Energy: 0.4324534037201286 Energy: 0.44369698584502654 Energy: 0.4358446573170356 Energy: 0.4172825258850686 Energy: 0.4358446573183357 Energy: 0.4172825258840935 Energy: 0.4358446573173606 Energy: 0.4172825258844185 Energy: 0.46762082774792235 Energy: 0.4283034221896925 Energy: 0.46762082774662217 Energy: 0.42830342218871736 Energy: 0.4676208277472723 Energy: 0.4283034221903426 Energy: 0.4216356106897017 Energy: 0.43684026942838666 Energy: 0.4216356106877514 Energy: 0.436840269430012 Energy: 0.4216356106932772 Energy: 0.4368402694309871 Energy: 0.40303064802541844 Energy: 0.5007500888673894 Energy: 0.4030306480263936 Energy: 0.5007500888673894 Energy: 0.40303064802411825 Energy: 0.5007500888677144 Energy: 0.42837385605946493 Energy: 0.4874957560905136 Energy: 0.4283738560571897 Energy: 0.4874957560901886 Energy: 0.428373856060115 Energy: 0.4874957560901886 Energy: 0.4518343569682465 Energy: 0.4391837537551338 Energy: 0.45183435696792146 Energy: 0.4391837537554588 Energy: 0.4518343569692216 Energy: 0.4391837537554588 Energy: 0.4608934490509648 Energy: 0.4370438175691622 Energy: 0.4608934490499897 Energy: 0.4370438175701373 Energy: 0.4608934490516149 Energy: 0.4370438175701373 Energy: 0.43578001296723035 Energy: 0.42002246585856634 Energy: 0.4357800129659301 Energy: 0.42002246585856634 Energy: 0.4357800129659301 Energy: 0.42002246585856634 Energy: 0.41489166242730574 Energy: 0.4648282658860959 Energy: 0.41489166242828085 Energy: 0.4648282658815452 Energy: 0.414891662428931 Energy: 0.46482826587861975 Energy: 0.4709383642419103 Energy: 0.4150617566973914 Energy: 0.4709383642435356 Energy: 0.41506175669771644 Energy: 0.47093836425296187 Energy: 0.4150617566983666 Energy: 0.4549727162163968 Energy: 0.45298398567218706 Energy: 0.45497271621412144 Energy: 0.45298398567186204 Energy: 0.4549727162137964 Energy: 0.45298398567186204 Energy: 0.47143424328625066 Energy: 0.4411176322647038 Energy: 0.47143424328592565 Energy: 0.4411176322647038 Energy: 0.47143424328690076 Energy: 0.44111763226502887 Energy: 0.4149152469072682 Energy: 0.463854253442847 Energy: 0.41491524690531795 Energy: 0.46385425343439585 Energy: 0.4149152469075933 Energy: 0.46385425344154685 Energy: 0.4357964285427089 Energy: 0.41996233955644574 Energy: 0.4357964285430339 Energy: 0.41996233955644574 Energy: 0.4357964285423838 Energy: 0.41996233955579565 Energy: 0.4609273926725079 Energy: 0.4370242004847297 Energy: 0.46092739267380806 Energy: 0.4370242004840796 Energy: 0.46092739267185784 Energy: 0.4370242004853797 minimum gb energy = 0.40303064802411825 eV minimum distance = 2.6619204539101 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.184568409521181 Energy: 0.1906021351017512 Energy: 0.18456840952044107 Energy: 0.19060213510101126 Energy: 0.184568409521181 Energy: 0.19060213510101126 Energy: 0.2624636316408824 Energy: 0.2789176613176694 Energy: 0.2624636316416223 Energy: 0.2789176613176694 Energy: 0.2624636316416223 Energy: 0.2789176613176694 Energy: 0.21583603986044264 Energy: 0.24503160584685274 Energy: 0.21583603986044264 Energy: 0.24503160584685274 Energy: 0.21583603986044264 Energy: 0.24503160584685274 Energy: 0.19201134209226953 Energy: 0.18467875461317387 Energy: 0.1920113420915296 Energy: 0.18467875461317387 Energy: 0.1920113420915296 Energy: 0.18467875461317387 Energy: 0.2627497646137252 Energy: 0.2626015679104884 Energy: 0.26274976461150545 Energy: 0.2626015679104884 Energy: 0.26274976461224536 Energy: 0.2626015679104884 Energy: 0.18469632784102763 Energy: 0.21576814004589517 Energy: 0.18469632784028772 Energy: 0.21576814004515527 Energy: 0.18469632784102763 Energy: 0.21576814004589517 Energy: 0.18468797194120706 Energy: 0.21577227300595872 Energy: 0.18468797194120706 Energy: 0.21577227300817847 Energy: 0.18468797194120706 Energy: 0.21577227300669863 Energy: 0.2627426668807884 Energy: 0.2626040370729173 Energy: 0.2627426668807884 Energy: 0.2626040370736572 Energy: 0.2627426668815283 Energy: 0.2626040370729173 Energy: 0.19199895505516937 Energy: 0.18465797263759903 Energy: 0.19199895505516937 Energy: 0.18465797263759903 Energy: 0.19199895505516937 Energy: 0.18465797263759903 Energy: 0.21581235519417374 Energy: 0.2450961491362238 Energy: 0.2158123551949137 Energy: 0.2450961491362238 Energy: 0.2158123551926939 Energy: 0.2450961491362238 Energy: 0.26265629800205303 Energy: 0.2787827159049356 Energy: 0.262656298002793 Energy: 0.2787827159049356 Energy: 0.26265629800205303 Energy: 0.27878271590419573 Energy: 0.18456840952044107 Energy: 0.19060213510101126 Energy: 0.18456840952044107 Energy: 0.19060213510101126 Energy: 0.18456840952044107 Energy: 0.19060213510101126 Energy: 0.2624636316416223 Energy: 0.2789176613176694 Energy: 0.2624636316416223 Energy: 0.2789176613176694 Energy: 0.2624636316408824 Energy: 0.27891766131692947 Energy: 0.21583603986044264 Energy: 0.24503160584685274 Energy: 0.21583603986044264 Energy: 0.24503160584685274 Energy: 0.21583603986044264 Energy: 0.2450316058461128 Energy: 0.19201134209226953 Energy: 0.18467875461317387 Energy: 0.19201134209078966 Energy: 0.18467875461317387 Energy: 0.19201134209226953 Energy: 0.18467875461317387 Energy: 0.26274976461224536 Energy: 0.2626015679104884 Energy: 0.26274976461150545 Energy: 0.2626015679104884 Energy: 0.26274976461224536 Energy: 0.2626015679097485 Energy: 0.18469632784028772 Energy: 0.21576814004589517 Energy: 0.18469632784028772 Energy: 0.21576814004515527 Energy: 0.18469632784102763 Energy: 0.21576814004515527 Energy: 0.18468797194046718 Energy: 0.21577227300669863 Energy: 0.184687971941947 Energy: 0.21577227300743856 Energy: 0.18468797194120706 Energy: 0.21577227300595872 Energy: 0.2627426668807884 Energy: 0.2626040370736572 Energy: 0.2627426668807884 Energy: 0.2626040370736572 Energy: 0.2627426668815283 Energy: 0.2626040370736572 minimum gb energy = 0.18456840952044107 eV minimum distance = 2.77035045277512 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4143179739003652 Energy: 0.43866296850317793 Energy: 0.4143179738998231 Energy: 0.43866296850317793 Energy: 0.4143179739019911 Energy: 0.43866296850317793 Energy: 0.4779772197061265 Energy: 0.3997990885809511 Energy: 0.47797721970666845 Energy: 0.399799088582035 Energy: 0.47797721970558443 Energy: 0.3997990885825771 Energy: 0.49047326794855245 Energy: 0.6055838923076079 Energy: 0.4904732679480104 Energy: 0.6055838923081499 Energy: 0.49047326794963636 Energy: 0.6055838923081499 Energy: 0.4986273722182139 Energy: 0.38554197675393076 Energy: 0.49862737221929787 Energy: 0.3855419767555568 Energy: 0.49862737221929787 Energy: 0.3855419767555568 Energy: 0.37650656866058746 Energy: 0.36436391593811146 Energy: 0.37650656866112947 Energy: 0.3643639159386534 Energy: 0.3765065686589614 Energy: 0.3643639159375694 Energy: 0.43330178168894506 Energy: 0.38158093411334665 Energy: 0.433301781690571 Energy: 0.38158093411443056 Energy: 0.433301781690571 Energy: 0.38158093411334665 Energy: 0.3983443696307377 Energy: 0.4733727542367788 Energy: 0.3692145671125235 Energy: 0.4733727542351528 Energy: 0.3692145671130656 Energy: 0.4733727542346107 Energy: 0.44700459341677523 Energy: 0.3499905416615453 Energy: 0.4470045934178593 Energy: 0.3499905416615453 Energy: 0.44700459341677523 Energy: 0.3499905416615453 Energy: 0.44494170162250657 Energy: 0.35323413079553273 Energy: 0.44494170162196456 Energy: 0.3532341307960747 Energy: 0.44494170162250657 Energy: 0.3532341307944487 Energy: 0.3605766653989328 Energy: 0.5190438414755578 Energy: 0.36057666539784883 Energy: 0.5190438414750157 Energy: 0.3605766653994748 Energy: 0.5190438414744737 Energy: 0.45020815746311393 Energy: 0.45241898446364665 Energy: 0.45020815746311393 Energy: 0.4524189844620206 Energy: 0.45020815746311393 Energy: 0.4524189844625626 Energy: 0.39919123619472835 Energy: 0.3634338201602373 Energy: 0.3991912361941864 Energy: 0.36343382015915326 Energy: 0.39919123619581237 Energy: 0.3634338201596952 Energy: 0.45711159075560576 Energy: 0.38757375934320454 Energy: 0.4571115907539797 Energy: 0.3875737593426626 Energy: 0.4571115907545218 Energy: 0.3875737593426626 Energy: 0.42041119165858193 Energy: 0.5910600403597361 Energy: 0.420411191661834 Energy: 0.5910600403591942 Energy: 0.420411191661292 Energy: 0.5910600403591942 Energy: 0.4706910394541026 Energy: 0.4004415326836964 Energy: 0.47069103945789664 Energy: 0.4004415326831544 Energy: 0.4706910394524766 Energy: 0.4004415326809864 Energy: 0.41276742263430516 Energy: 0.4422955149939556 Energy: 0.4127674226359312 Energy: 0.44229551499449765 Energy: 0.41276742263484717 Energy: 0.44229551499449765 Energy: 0.40261277875206897 Energy: 0.39821531087614903 Energy: 0.40261277875098495 Energy: 0.39821531087614903 Energy: 0.402612778751527 Energy: 0.398215310875607 Energy: 0.5408948211833545 Energy: 0.5800496807122721 Energy: 0.5408948211833545 Energy: 0.5800496807122721 Energy: 0.5408948211822704 Energy: 0.5800496807122721 Energy: 0.49799364526232787 Energy: 0.38485114051133573 Energy: 0.49799364526070183 Energy: 0.38485114051404573 Energy: 0.49799364526178586 Energy: 0.38485114051187774 Energy: 0.3767542214203316 Energy: 0.4113335177048472 Energy: 0.3767542214170796 Energy: 0.4113335177053893 Energy: 0.37675422141816356 Energy: 0.41133351770430526 Energy: 0.358854398240465 Energy: 0.38140663603728714 Energy: 0.35885439824100696 Energy: 0.3814066360378291 Energy: 0.358854398240465 Energy: 0.3814066360378291 Energy: 0.46236806471796726 Energy: 0.47375664839700354 Energy: 0.4623680647158485 Energy: 0.47375664839754555 Energy: 0.46236806471742525 Energy: 0.4737566483964615 Energy: 0.41324833847171877 Energy: 0.41976810431141104 Energy: 0.4132483384755128 Energy: 0.419768104312495 Energy: 0.41324833847388676 Energy: 0.419768104311953 Energy: 0.4189926827879791 Energy: 0.39382215957472455 Energy: 0.41899268278635304 Energy: 0.3938221595752665 Energy: 0.4189926827901471 Energy: 0.3938221595736405 Energy: 0.35876797460858006 Energy: 0.5261720637845708 Energy: 0.3587679746074961 Energy: 0.5261720637840287 Energy: 0.3587679746074961 Energy: 0.5261720637845708 Energy: 0.6081879652880471 Energy: 0.45233655208834117 Energy: 0.6081879652875051 Energy: 0.45233655209430335 Energy: 0.6081879652880471 Energy: 0.4523365520840052 minimum gb energy = 0.3499905416615453 eV minimum distance = 2.63121204645854 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4609776895815843 Energy: 0.3982794429218501 Energy: 0.4609776895815843 Energy: 0.3982794429218501 Energy: 0.46097768958030266 Energy: 0.39827944292099576 Energy: 0.5017955679365635 Energy: 0.49251991237576054 Energy: 0.5017955679344276 Energy: 0.4925199123749061 Energy: 0.5017955679357091 Energy: 0.4925199123753333 Energy: 0.5890361027151018 Energy: 0.6708955453246476 Energy: 0.5890361027151018 Energy: 0.6708955453242205 Energy: 0.5890361027146745 Energy: 0.6708955453242205 Energy: 0.4518485615757552 Energy: 0.39344047486869965 Energy: 0.451848561575328 Energy: 0.39344047486869965 Energy: 0.4518485615766096 Energy: 0.3934404748691268 Energy: 0.38057077296608494 Energy: 0.40774269442306194 Energy: 0.38057077296565783 Energy: 0.4077426944226348 Energy: 0.38057077296608494 Energy: 0.40774269442306194 Energy: 0.4939893154267375 Energy: 0.48706432123263943 Energy: 0.493989315425456 Energy: 0.4870643212318045 Energy: 0.4939893154267375 Energy: 0.4870643212322317 Energy: 0.4072239282396085 Energy: 0.5383191427585433 Energy: 0.40722392824089015 Energy: 0.5383191427593977 Energy: 0.4072239282400358 Energy: 0.5383191427576889 Energy: 0.3961921845291916 Energy: 0.393382174111611 Energy: 0.39619218452833727 Energy: 0.393382174111611 Energy: 0.3961921845291916 Energy: 0.393382174111611 Energy: 0.3802137865397022 Energy: 0.3930341428009114 Energy: 0.38021378654012933 Energy: 0.39303414280133864 Energy: 0.38021378654012933 Energy: 0.39303414280133864 Energy: 0.43996974429503 Energy: 0.5577644763253181 Energy: 0.43996974429545715 Energy: 0.557764476324891 Energy: 0.43996974429332114 Energy: 0.557764476324891 Energy: 0.43914800835370493 Energy: 0.5589139042160369 Energy: 0.43914800835114176 Energy: 0.5589139042168914 Energy: 0.4391480083541321 Energy: 0.5589139042168914 Energy: 0.3781434136883026 Energy: 0.4573993049135497 Energy: 0.3781434136887297 Energy: 0.45739930491782166 Energy: 0.3781434136883026 Energy: 0.4573993049182489 Energy: 0.3954004531869898 Energy: 0.39592195280913295 Energy: 0.3954004531861354 Energy: 0.3959219528087057 Energy: 0.3954004531861354 Energy: 0.39592195280913295 Energy: 0.3780170053911543 Energy: 0.5399666465312127 Energy: 0.3780170053911543 Energy: 0.5399666465312127 Energy: 0.3780170053907271 Energy: 0.5399666465312127 Energy: 0.49369265199011036 Energy: 0.4875065055557654 Energy: 0.4936926519909646 Energy: 0.4875065055544838 Energy: 0.4936926519909646 Energy: 0.487506505554911 Energy: 0.3796794247123002 Energy: 0.465466993569294 Energy: 0.3796794247123002 Energy: 0.4654669935688668 Energy: 0.3796794247131546 Energy: 0.4654669935688668 Energy: 0.3954326082875159 Energy: 0.39608340029977024 Energy: 0.39543260829221505 Energy: 0.39608340030019745 Energy: 0.3954326082896519 Energy: 0.39608340029977024 Energy: 0.4574384389751669 Energy: 0.6718106790760769 Energy: 0.4574384389751669 Energy: 0.6718106790760769 Energy: 0.4574384389764485 Energy: 0.6718106790760769 Energy: 0.4518572347689825 Energy: 0.4979257209493669 Energy: 0.45185723477709916 Energy: 0.4979257209493669 Energy: 0.45185723476983686 Energy: 0.4979257209497941 Energy: 0.4391312081316443 Energy: 0.4803580019740467 Energy: 0.43913120813078993 Energy: 0.48035800197789136 Energy: 0.4391312081316443 Energy: 0.4883701932974268 Energy: 0.3818243070015611 Energy: 0.4351000055229825 Energy: 0.38182430700029896 Energy: 0.43510000551871053 Energy: 0.3818243070015611 Energy: 0.4351000055199922 Energy: 0.4480045644589718 Energy: 0.6230635393162945 Energy: 0.4480045644628166 Energy: 0.6230635393167218 Energy: 0.4480045644623894 Energy: 0.6230635393171491 Energy: 0.45167252155571924 Energy: 0.3968334114942712 Energy: 0.4516725215540104 Energy: 0.3968334114942712 Energy: 0.4516725215540104 Energy: 0.39683341149384405 Energy: 0.3796765414583855 Energy: 0.4875647040320281 Energy: 0.37967654145923985 Energy: 0.4875647040320281 Energy: 0.3796765414583855 Energy: 0.48372518869436654 Energy: 0.3784899895947321 Energy: 0.48756233534841176 Energy: 0.3784899895930234 Energy: 0.4875623353471302 Energy: 0.3784899895934506 Energy: 0.48756233534798465 Energy: 0.4089658272447059 Energy: 0.4072041930448285 Energy: 0.40896582724427866 Energy: 0.40720419304440125 Energy: 0.4089658272455603 Energy: 0.40720419304226535 Energy: 0.39558670235976867 Energy: 0.39603120294769023 Energy: 0.39558670236105015 Energy: 0.3960312029468358 Energy: 0.3955867023601958 Energy: 0.396031202947263 Energy: 0.38122311703138506 Energy: 0.43484647300867263 Energy: 0.38122311703095785 Energy: 0.4348464730069638 Energy: 0.38122311703138506 Energy: 0.43484647300995416 Energy: 0.44418911469536876 Energy: 0.4986233011127179 Energy: 0.44418911469408723 Energy: 0.4986233011127179 Energy: 0.4441891146949416 Energy: 0.4986233011139996 Energy: 0.5709445068755561 Energy: 0.3791973492994653 Energy: 0.5709445068738473 Energy: 0.3791973492994653 Energy: 0.5709445068738473 Energy: 0.3791973492998925 Energy: 0.37926712822564773 Energy: 0.45913744758315267 Energy: 0.37926712822821085 Energy: 0.45913744758315267 Energy: 0.3792671282269294 Energy: 0.45913744758315267 Energy: 0.3960661875219204 Energy: 0.39399556605212166 Energy: 0.3960661875219204 Energy: 0.39399556605212166 Energy: 0.3960661875219204 Energy: 0.3939955660516944 Energy: 0.37818786780233626 Energy: 0.42213557107997474 Energy: 0.37818786780233626 Energy: 0.4221355710795476 Energy: 0.37818786780233626 Energy: 0.4221355710795476 minimum gb energy = 0.3780170053907271 eV minimum distance = 2.63738518911233 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.4338860981417888 Energy: 0.4137335315207856 Energy: 0.4338860981421159 Energy: 0.4137335315199135 Energy: 0.4338860981427155 Energy: 0.41373353152051306 Energy: 0.47850523188061056 Energy: 0.41168890384599577 Energy: 0.4785052318820823 Energy: 0.41168890384599577 Energy: 0.47850523188508043 Energy: 0.41168890384626833 Energy: 0.449352645383106 Energy: 0.5081972589648402 Energy: 0.44935264537231284 Energy: 0.5081972589636411 Energy: 0.44935264538130715 Energy: 0.5081972589642407 Energy: 0.44823346687463383 Energy: 0.407622679105689 Energy: 0.44823346687703236 Energy: 0.40762267910596156 Energy: 0.44823346687523347 Energy: 0.40762267910628863 Energy: 0.4097026857602138 Energy: 0.4095993841567583 Energy: 0.40970268576048635 Energy: 0.4095993841552864 Energy: 0.4097026857586874 Energy: 0.4095993841558861 Energy: 0.5673171937116693 Energy: 0.4107378053145474 Energy: 0.5673171937143947 Energy: 0.410737805315147 Energy: 0.5673171937131956 Energy: 0.4107378053148744 Energy: 0.4399435842706424 Energy: 0.48872145931340283 Energy: 0.43994358427096947 Energy: 0.48872145931340283 Energy: 0.43994358427036995 Energy: 0.48872145931340283 Energy: 0.45157968783044655 Energy: 0.47915946104608004 Energy: 0.45157968782892016 Energy: 0.47915946104787893 Energy: 0.4515796878301195 Energy: 0.4791594610466797 Energy: 0.4709341506030568 Energy: 0.41370005510328356 Energy: 0.4709341505991865 Energy: 0.41370005510328356 Energy: 0.4709341506006583 Energy: 0.41370005510268393 Energy: 0.5885999270992383 Energy: 0.41841668257710385 Energy: 0.5885999271007101 Energy: 0.41841668257650416 Energy: 0.5885999271010371 Energy: 0.41841668257623166 Energy: 0.45586261702979747 Energy: 0.456271828116362 Energy: 0.45586261702887076 Energy: 0.4562718281151628 Energy: 0.45586261702767156 Energy: 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Energy: 0.4104447013879518 Energy: 0.4488469996061253 Energy: 0.41044470138675254 Energy: 0.4488469996055257 Energy: 0.41044470138702505 Energy: 0.44884699960432645 Energy: 0.5066071481084949 Energy: 0.45125510090895926 Energy: 0.5066071481261565 Energy: 0.45125510090928633 Energy: 0.5066071481042976 Energy: 0.45125510090928633 Energy: 0.4593681736440199 Energy: 0.413963799634565 Energy: 0.4593681736604822 Energy: 0.41396379963543717 Energy: 0.459368173654486 Energy: 0.41396379963576424 Energy: 0.4085801847111959 Energy: 0.43468219261859703 Energy: 0.4085801847111959 Energy: 0.4346821926191966 Energy: 0.40858018470907 Energy: 0.4346821926194692 Energy: 0.4132259718840548 Energy: 0.4796278473720121 Energy: 0.4132259718846545 Energy: 0.4796278473720121 Energy: 0.4132259718837278 Energy: 0.4796278473720121 Energy: 0.4723136554345293 Energy: 0.4154338564755181 Energy: 0.47231365544652165 Energy: 0.41543385646232645 Energy: 0.47231365543632814 Energy: 0.4154338564611272 Energy: 0.4072539981572554 Energy: 0.44796473434747075 Energy: 0.4072539981581821 Energy: 0.44796473434747075 Energy: 0.4072539981569829 Energy: 0.44796473434774325 Energy: 0.4086343606238038 Energy: 0.41063900305916823 Energy: 0.4086343606210782 Energy: 0.41063900305916823 Energy: 0.4086343606192794 Energy: 0.41063900305916823 Energy: 0.4141284955417029 Energy: 0.567330633907179 Energy: 0.4141284955455731 Energy: 0.5673306339077785 Energy: 0.4141284955441013 Energy: 0.5673306339074515 Energy: 0.4784926095067214 Energy: 0.4401472655522354 Energy: 0.47849260950524963 Energy: 0.4401472655522354 Energy: 0.4784926095061219 Energy: 0.4401472655522354 Energy: 0.4374799450819442 Energy: 0.4074979744898149 Energy: 0.4374799450825438 Energy: 0.40749797449074165 Energy: 0.437479945081072 Energy: 0.40749797449014197 Energy: 0.41552026848859946 Energy: 0.4576226973295724 Energy: 0.4155202684891991 Energy: 0.4576226973289727 Energy: 0.4155202684870731 Energy: 0.4576226973292998 Energy: 0.421053643122788 Energy: 0.5923798196633501 Energy: 0.4210536431236601 Energy: 0.5923798196615513 Energy: 0.42105364312338756 Energy: 0.5923798196636771 Energy: 0.44955933245181345 Energy: 0.41328744064326695 Energy: 0.4495593324500146 Energy: 0.4132874406429399 Energy: 0.44955933245274016 Energy: 0.41328744064326695 Energy: 0.40734954228025094 Energy: 0.4158942607742975 Energy: 0.4073495422787791 Energy: 0.4158942602463063 Energy: 0.4073495422781795 Energy: 0.41589426058972406 Energy: 0.49018500554998545 Energy: 0.41422930970815913 Energy: 0.49018500555211136 Energy: 0.414229309707832 Energy: 0.49018500554938577 Energy: 0.4142293097087587 Energy: 0.45266228046476964 Energy: 0.4747908076810267 Energy: 0.45266228046476964 Energy: 0.47479080767982745 Energy: 0.4526622804632433 Energy: 0.4747908076810267 Energy: 0.4524998639840482 Energy: 0.47460036001957423 Energy: 0.452499863985847 Energy: 0.47460036001984685 Energy: 0.4524998639846478 Energy: 0.47460036001897465 Energy: 0.49079777232122374 Energy: 0.413989370271286 Energy: 0.49079777232454885 Energy: 0.4139893702710135 Energy: 0.49079777232422184 Energy: 0.4139893702710135 Energy: 0.4072950371531626 Energy: 0.4148104050702117 Energy: 0.40729503715403476 Energy: 0.4148104050516235 Energy: 0.4072950371543618 Energy: 0.41481040509032613 Energy: 0.44965530057264236 Energy: 0.4134309156250535 Energy: 0.44965530057144315 Energy: 0.4134309156250535 Energy: 0.44965530057416864 Energy: 0.41343091562472645 Energy: 0.4213171636717266 Energy: 0.5915238954821811 Energy: 0.42131716367079997 Energy: 0.5915238954812545 Energy: 0.4213171636696007 Energy: 0.5915238954818541 Energy: 0.41558808169659095 Energy: 0.45770743853872264 Energy: 0.4155880816969181 Energy: 0.4577074385405215 Energy: 0.4155880816987169 Energy: 0.45770743853992185 Energy: 0.4374705107666468 Energy: 0.4075441833108897 Energy: 0.4374705107687727 Energy: 0.40754418331029013 Energy: 0.4374705107684456 Energy: 0.40754418331029013 Energy: 0.4815657015346141 Energy: 0.43990109307767794 Energy: 0.4815657015202232 Energy: 0.43990109307735087 Energy: 0.48156570152921746 Energy: 0.43990109308034897 Energy: 0.4138739768410558 Energy: 0.5675238956536903 Energy: 0.4138739768404563 Energy: 0.5675238956587598 Energy: 0.4138739768440539 Energy: 0.5675238956575606 Energy: 0.41795934265027174 Energy: 0.4106358230073341 Energy: 0.41795934265027174 Energy: 0.4106358230073341 Energy: 0.41795934265027174 Energy: 0.41063582300706153 Energy: 0.4073779397942875 Energy: 0.4471896651300452 Energy: 0.40737793979521414 Energy: 0.4471896651205058 Energy: 0.40737793979761266 Energy: 0.44718966513097186 Energy: 0.4721722687605321 Energy: 0.4157821096547046 Energy: 0.47217226876800006 Energy: 0.4157821096445111 Energy: 0.47217226876859963 Energy: 0.4157821096771631 Energy: 0.4133329506988404 Energy: 0.4769251979672187 Energy: 0.41333295070091186 Energy: 0.47692519796661914 Energy: 0.41333295069944004 Energy: 0.47692519796661914 minimum gb energy = 0.4072539981569829 eV minimum distance = 2.65170872934971 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.42162214510556234 Energy: 0.4236359784718217 Energy: 0.42162214510535745 Energy: 0.4236359784732334 Energy: 0.42162214510556234 Energy: 0.4236359784710248 Energy: 0.4126855824655705 Energy: 0.4127567478281121 Energy: 0.4126855824653656 Energy: 0.412756747828317 Energy: 0.4126855824651607 Energy: 0.4127567478281121 Energy: 0.5465163097893708 Energy: 0.5256543644378621 Energy: 0.4054161314182463 Energy: 0.525654364438659 Energy: 0.40541613141726723 Energy: 0.5256543644368602 Energy: 0.41268361757132455 Energy: 0.41275773788898856 Energy: 0.4126836175711197 Energy: 0.41275773788917075 Energy: 0.41268361757132455 Energy: 0.4127577378885787 Energy: 0.42162214510656426 Energy: 0.42363597847403034 Energy: 0.42162214510656426 Energy: 0.4236359784750322 Energy: 0.4216221451059495 Energy: 0.42363597847444023 Energy: 0.41268558246816617 Energy: 0.41275674782690525 Energy: 0.4126855824679613 Energy: 0.41275674782749733 Energy: 0.41268558246816617 Energy: 0.41275674782731514 Energy: 0.469082239503006 Energy: 0.5256543644364731 Energy: 0.620161414171593 Energy: 0.5256543644378621 Energy: 0.4054161314146488 Energy: 0.5256543644382718 minimum gb energy = 0.4054161314146488 eV minimum distance = 2.6877486775997 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.6027969308261215 Energy: 0.49442430642619967 Energy: 0.5853127105576319 Energy: 0.49442430644801333 Energy: 0.6027969308337563 Energy: 0.49442430644255997 Energy: 0.5245972283420332 Energy: 0.49058096355588376 Energy: 0.5245972283346462 Energy: 0.4905809635504303 Energy: 0.5245972283256728 Energy: 0.4905809635504303 Energy: 0.532031019183853 Energy: 0.5272147422359037 Energy: 0.5236539725916736 Energy: 0.5272147422288639 Energy: 0.5320310191783995 Energy: 0.5272147422239558 Energy: 0.504467653769051 Energy: 0.48919702044098773 Energy: 0.5044676537643908 Energy: 0.46971131989934334 Energy: 0.5044676537671177 Energy: 0.46971131989934334 Energy: 0.5410778899017579 Energy: 0.549054218462699 Energy: 0.5410778899044846 Energy: 0.5490542184572456 Energy: 0.5410778899126647 Energy: 0.5490542184572456 Energy: 0.4900858468555537 Energy: 0.5404987342268923 Energy: 0.49008584685828044 Energy: 0.5404987342350724 Energy: 0.4900858468555537 Energy: 0.5404987342323457 Energy: 0.5394831321326038 Energy: 0.5527531827917918 Energy: 0.539154377812549 Energy: 0.5527531827882718 Energy: 0.539483132129877 Energy: 0.552753182785793 Energy: 0.4702661744951518 Energy: 0.5107643738664108 Energy: 0.47026617449242514 Energy: 0.5107643738636841 Energy: 0.47026617449242514 Energy: 0.5107643738609574 Energy: 0.4992255569705536 Energy: 0.5308924818115087 Energy: 0.4992255569786842 Energy: 0.530892481808782 Energy: 0.4992255569786842 Energy: 0.530892481808782 Energy: 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Energy: 0.5250286685853076 Energy: 0.5194767977141748 Energy: 0.5250302036848261 Energy: 0.5194767977114481 Energy: 0.5250286685989413 Energy: 0.5194767977141748 Energy: 0.5001949941269578 Energy: 0.49707427071057125 Energy: 0.5001949941215043 Energy: 0.4970742707187514 Energy: 0.5001949941269578 Energy: 0.4970742707187514 Energy: 0.48753338556449777 Energy: 0.5332993610949809 Energy: 0.487533385572678 Energy: 0.533299361084074 Energy: 0.48753338556722453 Energy: 0.533299361084074 Energy: 0.5348760057796996 Energy: 0.5341502974228556 Energy: 0.534876005785153 Energy: 0.5341502974255823 Energy: 0.5348760057905569 Energy: 0.5341502974228556 Energy: 0.5035097706835385 Energy: 0.5375346609694067 Energy: 0.5038563010467038 Energy: 0.537534660977587 Energy: 0.5035097706835385 Energy: 0.537534660977587 minimum gb energy = 0.4647488764728193 eV minimum distance = 2.60187545956079 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 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Energy: 0.5061934456414611 Energy: 0.5327706985342259 Energy: 0.5061934456410014 Energy: 0.5327706985351451 Energy: 0.5061934456410014 Energy: 0.44625779073007626 Energy: 0.5039832203937697 Energy: 0.44625779073467314 Energy: 0.5039832203933101 Energy: 0.4462577907355924 Energy: 0.5039832203937697 Energy: 0.509067414534119 Energy: 0.5527019569729666 Energy: 0.5090674145345786 Energy: 0.5527019569734264 Energy: 0.509067414534119 Energy: 0.5527019569734264 Energy: 0.46223810207182386 Energy: 0.5144554499725913 Energy: 0.46223810206998517 Energy: 0.5144554499725913 Energy: 0.4622381020630899 Energy: 0.5144554499725913 Energy: 0.5331068396716852 Energy: 0.5111342018645342 Energy: 0.5331068396721449 Energy: 0.5111342018645342 Energy: 0.5331068396707659 Energy: 0.5111342018654536 Energy: 0.46572569212301707 Energy: 0.45042308457901087 Energy: 0.46572569212255743 Energy: 0.45042308457901087 Energy: 0.46572569212163806 Energy: 0.4504230845794705 Energy: 0.5215780050221152 Energy: 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Energy: 0.4726072776429092 Energy: 0.5018278051631985 Energy: 0.47260727764350435 Energy: 0.5018278051637938 Energy: 0.47260727764231397 Energy: 0.5416420230402482 Energy: 0.43813199861178387 Energy: 0.5416420230396531 Energy: 0.4381319986141647 Energy: 0.5416420230408434 Energy: 0.43813199861297425 Energy: 0.44162182998913185 Energy: 0.46343869496768103 Energy: 0.44162182998913185 Energy: 0.46343869496768103 Energy: 0.44162182998913185 Energy: 0.46343869496768103 Energy: 0.4937324437933301 Energy: 0.44327301439111033 Energy: 0.49373244379452047 Energy: 0.44327301439051514 Energy: 0.49373244379452047 Energy: 0.44327301439051514 Energy: 0.5161983122956446 Energy: 0.5287516956926955 Energy: 0.5161983122950493 Energy: 0.5287516956926955 Energy: 0.5161983122956446 Energy: 0.5287516956926955 Energy: 0.49773996293189837 Energy: 0.4382081688908402 Energy: 0.49773996293249345 Energy: 0.4382081688908402 Energy: 0.4977399629313031 Energy: 0.43820816889143543 Energy: 0.4839721245887948 Energy: 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0.49186623431031645 Energy: 0.5031303678284382 Energy: 0.4918662343097212 Energy: 0.5031303678290335 Energy: 0.4918662343097212 Energy: 0.4874544616908771 Energy: 0.4673833119555776 Energy: 0.4874544616914723 Energy: 0.4673833119561728 Energy: 0.4874544616920675 Energy: 0.46738331195438726 Energy: 0.5401295414054197 Energy: 0.4715942407917922 Energy: 0.5401295414066102 Energy: 0.47159424079298257 Energy: 0.5401295414048246 Energy: 0.47159424079238743 Energy: 0.48468295130536526 Energy: 0.43794394407736975 Energy: 0.4846829513059605 Energy: 0.43794394407736975 Energy: 0.48468295130536526 Energy: 0.43794394407736975 Energy: 0.5148888495452141 Energy: 0.4857107961528626 Energy: 0.5148888495446189 Energy: 0.4857107961528626 Energy: 0.5148888495440237 Energy: 0.4857107961522674 minimum gb energy = 0.41884608958693487 eV minimum distance = 2.67270891578959 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.48908820468451764 Energy: 0.4282789164947486 Energy: 0.48908820468451764 Energy: 0.4282789164947486 Energy: 0.48908820468451764 Energy: 0.4282789164947486 Energy: 0.435166176592784 Energy: 0.4030925097573319 Energy: 0.43516617659194223 Energy: 0.40309250974723115 Energy: 0.43516617659194223 Energy: 0.4030925097531233 Energy: 0.46591898507651774 Energy: 0.4677831536657139 Energy: 0.46591898507651774 Energy: 0.4677831536657139 Energy: 0.46591898507651774 Energy: 0.4677831536657139 Energy: 0.3890376288191083 Energy: 0.45405131073861776 Energy: 0.38903762881826653 Energy: 0.45405131073861776 Energy: 0.38903762881826653 Energy: 0.45405131073861776 Energy: 0.48061439901788006 Energy: 0.437922717503919 Energy: 0.48061439901788006 Energy: 0.437922717503919 Energy: 0.48061439901872177 Energy: 0.437922717503919 Energy: 0.4281290179959818 Energy: 0.46944307159562126 Energy: 0.4281290179951401 Energy: 0.46944307159562126 Energy: 0.4281290179959818 Energy: 0.46944307159562126 Energy: 0.4778671578176947 Energy: 0.4192087536100931 Energy: 0.47786715781685296 Energy: 0.41920875361093474 Energy: 0.47786715781685296 Energy: 0.41920875361093474 Energy: 0.4523809681839033 Energy: 0.48034505797870986 Energy: 0.4523809681855867 Energy: 0.4803450579778681 Energy: 0.452380968184745 Energy: 0.48034505797870986 Energy: 0.4474431548350057 Energy: 0.4027918897801221 Energy: 0.4474431548350057 Energy: 0.4027918897801221 Energy: 0.4474431548350057 Energy: 0.4027918897801221 Energy: 0.43660906757141965 Energy: 0.4148139663163488 Energy: 0.43660906757226137 Energy: 0.4148139663121402 Energy: 0.43660906757141965 Energy: 0.4148139663171906 Energy: 0.4300641971889158 Energy: 0.48436551894664076 Energy: 0.43006419718975747 Energy: 0.4843655189474825 Energy: 0.43006419718975747 Energy: 0.4843655189474825 Energy: 0.4686806277518848 Energy: 0.464997685633428 Energy: 0.4686806277518848 Energy: 0.464997685633428 Energy: 0.46868062775104297 Energy: 0.4649976856325863 Energy: 0.3890123271836704 Energy: 0.4689874543273701 Energy: 0.38901232718451206 Energy: 0.4689874543282119 Energy: 0.38901232718451206 Energy: 0.4689874543273701 Energy: 0.43686453676299164 Energy: 0.4543363032384188 Energy: 0.4368645367638333 Energy: 0.4543363032384188 Energy: 0.4368645367638333 Energy: 0.45433630323757707 Energy: 0.4275881637243694 Energy: 0.5456051805334046 Energy: 0.4275881637243694 Energy: 0.5456051805342464 Energy: 0.4275881637243694 Energy: 0.5456051805342464 Energy: 0.42743529159084176 Energy: 0.4756875150618718 Energy: 0.42743529159 Energy: 0.4756875150618718 Energy: 0.42743529159084176 Energy: 0.4756875150618718 Energy: 0.43561672707168014 Energy: 0.4543485962516869 Energy: 0.43561672707168014 Energy: 0.45434859625252866 Energy: 0.43561672707168014 Energy: 0.45434859625252866 minimum gb energy = 0.3890123271836704 eV minimum distance = 2.67096316313042 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.44964210403491367 Energy: 0.40590983640110334 Energy: 0.4496421040326383 Energy: 0.4059098364014284 Energy: 0.44964210403361354 Energy: 0.40590983640110334 Energy: 0.4241700588907914 Energy: 0.4049290415248116 Energy: 0.4241700588907914 Energy: 0.40492904152448655 Energy: 0.42417005889404186 Energy: 0.4049290415251366 Energy: 0.4400279970935236 Energy: 0.4211795630078293 Energy: 0.44002799709254853 Energy: 0.4211795630071792 Energy: 0.4400279970947943 Energy: 0.4211795630117298 Energy: 0.4259785399819393 Energy: 0.4108574432378868 Energy: 0.42597853998291435 Energy: 0.41085744323951207 Energy: 0.4259785399842146 Energy: 0.41085744323821183 Energy: 0.470998268190304 Energy: 0.3918782991790008 Energy: 0.47099826818770363 Energy: 0.3918782991793258 Energy: 0.4709982681883537 Energy: 0.3918782991809511 Energy: 0.4184644722572375 Energy: 0.40658157001350503 Energy: 0.4184644722572375 Energy: 0.40658157001383016 Energy: 0.4184644722578876 Energy: 0.40658157001318 Energy: 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Energy: 0.47670809400894987 Energy: 0.4832232515690649 Energy: 0.47670809400927494 Energy: 0.48322325157004004 Energy: 0.47670809400927494 Energy: 0.4060901913955138 Energy: 0.37335883113350604 Energy: 0.4060901913948637 Energy: 0.3733588311361064 Energy: 0.4060901913958389 Energy: 0.37335883113350604 Energy: 0.4830573643259684 Energy: 0.47765887542925545 Energy: 0.4830573643285688 Energy: 0.47765887542990554 Energy: 0.48305736432759366 Energy: 0.47765887542990554 Energy: 0.4139243021535786 Energy: 0.5126679348196245 Energy: 0.41392430215552894 Energy: 0.5126679348192995 Energy: 0.4139243021532536 Energy: 0.5126679348192995 Energy: 0.4070028102065392 Energy: 0.41122953124468076 Energy: 0.4070028102097897 Energy: 0.4112295312443557 Energy: 0.40700281020783946 Energy: 0.41122953124468076 Energy: 0.37470700438412474 Energy: 0.4643244268976005 Energy: 0.3747070043863706 Energy: 0.4643244268966254 Energy: 0.37470700438669563 Energy: 0.4643244268979256 Energy: 0.44022571267108823 Energy: 0.44003427240554965 Energy: 0.4402257126701131 Energy: 0.44003427240587467 Energy: 0.4402257126717383 Energy: 0.44003427240554965 Energy: 0.4008180704859855 Energy: 0.45141703584626897 Energy: 0.4008180704859855 Energy: 0.45141703584626897 Energy: 0.4008180704850103 Energy: 0.45141703584691906 Energy: 0.4694743128367329 Energy: 0.46502094668645066 Energy: 0.4694743128357578 Energy: 0.4650209466858302 Energy: 0.46947431283510765 Energy: 0.46502094668612565 Energy: 0.4380108132476955 Energy: 0.3885566443840916 Energy: 0.43801081325094593 Energy: 0.3885566443840916 Energy: 0.4380108132467203 Energy: 0.3885566443837665 Energy: 0.37302742251175236 Energy: 0.5015190368958503 Energy: 0.3730274225107773 Energy: 0.5015190368955253 Energy: 0.3730274225143527 Energy: 0.5015190368958503 Energy: 0.4100034059180568 Energy: 0.3717090512481498 Energy: 0.41000340591740675 Energy: 0.3717090512478248 Energy: 0.4100034059154564 Energy: 0.3717090512484748 Energy: 0.4902770773380856 Energy: 0.4241780329613577 Energy: 0.4902770773374355 Energy: 0.4241780329610326 Energy: 0.4902770773384107 Energy: 0.4241780329610326 Energy: 0.4479076722814497 Energy: 0.5140167751137826 Energy: 0.4479076722853502 Energy: 0.5140167751141077 Energy: 0.44790767228307493 Energy: 0.5140167751141077 Energy: 0.40961313783263864 Energy: 0.40436401922251813 Energy: 0.4096131378251626 Energy: 0.40436401922186804 Energy: 0.4096131378374849 Energy: 0.40436401922284315 Energy: 0.4185542409231897 Energy: 0.3926184632046456 Energy: 0.4185542409231897 Energy: 0.39261846320237037 Energy: 0.4185542409257901 Energy: 0.3926184632030204 Energy: 0.4707581270862257 Energy: 0.39131945779903393 Energy: 0.47075812708557563 Energy: 0.39131945780163435 Energy: 0.4707581270852506 Energy: 0.3913194578019593 Energy: 0.4262678708682622 Energy: 0.418885971239234 Energy: 0.4262678708695624 Energy: 0.41888597123793386 Energy: 0.4262678708676121 Energy: 0.418885971239559 Energy: 0.4400772201414505 Energy: 0.42105575234722525 Energy: 0.4400772201421006 Energy: 0.42105575234657516 Energy: 0.4400772201411255 Energy: 0.42105575234820036 Energy: 0.4236734440175008 Energy: 0.3923035411496029 Energy: 0.4236734440506555 Energy: 0.39230354114992794 Energy: 0.42367344403635354 Energy: 0.3923035411486278 Energy: 0.44964210402743765 Energy: 0.40590983639785294 Energy: 0.44964210402353705 Energy: 0.4059098363975279 Energy: 0.4496421040290629 Energy: 0.4059098363975279 Energy: 0.42417005889859255 Energy: 0.46843925386401447 Energy: 0.42417005889859255 Energy: 0.4684392538659647 Energy: 0.42417005889826753 Energy: 0.46843925386368945 Energy: 0.4400279970990199 Energy: 0.42117956300652915 Energy: 0.4400279970980448 Energy: 0.42117956300652915 Energy: 0.4400279970983698 Energy: 0.42117956300620407 Energy: 0.42597853997901386 Energy: 0.41085744323366113 Energy: 0.4259785399780387 Energy: 0.4108574432343112 Energy: 0.4259785399777136 Energy: 0.41085744323236106 Energy: 0.47099826819062907 Energy: 0.3918782991773756 Energy: 0.47099826818802865 Energy: 0.3918782991790008 Energy: 0.47099826819322943 Energy: 0.3918782991783507 minimum gb energy = 0.37153357621519517 eV minimum distance = 2.65920692930107 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.4215373103844394 Energy: 0.38123139840741377 Energy: 0.4215373103839102 Energy: 0.38123139840741377 Energy: 0.42153731038549797 Energy: 0.38123139840741377 Energy: 0.4369552486000515 Energy: 0.43273331344821936 Energy: 0.4369552486016393 Energy: 0.43273331344821936 Energy: 0.4369552486000515 Energy: 0.43273331344769006 Energy: 0.4241119428422908 Energy: 0.43180801643328803 Energy: 0.4241119428428201 Energy: 0.4318080164327588 Energy: 0.4241119428422908 Energy: 0.4318080164327588 Energy: 0.4046366739183321 Energy: 0.4084387645358137 Energy: 0.4046366739215076 Energy: 0.4084387645358137 Energy: 0.40463667392097835 Energy: 0.4084387645352845 Energy: 0.4360678964153004 Energy: 0.37329592046674254 Energy: 0.4360678964153004 Energy: 0.3732959204646255 Energy: 0.4360678964153004 Energy: 0.37329592046568405 Energy: 0.40161101375948216 Energy: 0.3725046159618196 Energy: 0.4016110137584717 Energy: 0.3725046159618196 Energy: 0.40161101376001135 Energy: 0.3725046159618196 Energy: 0.4769389955512994 Energy: 0.38921888894099466 Energy: 0.47693899555182867 Energy: 0.38921888894046547 Energy: 0.4769389955512994 Energy: 0.38921888894046547 Energy: 0.48156599420994384 Energy: 0.44631980607353705 Energy: 0.48156599420941454 Energy: 0.44631980607353705 Energy: 0.48156599420835605 Energy: 0.44631980607300786 Energy: 0.37415098435227584 Energy: 0.3737750845308147 Energy: 0.37415098435280514 Energy: 0.3737750845308147 Energy: 0.37415098435068805 Energy: 0.37377508453134395 Energy: 0.3850042608293228 Energy: 0.3788081708036755 Energy: 0.3850042608309106 Energy: 0.37880817080420476 Energy: 0.385004260834038 Energy: 0.37880817080420476 Energy: 0.4771911382238491 Energy: 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0.4388758802496757 Energy: 0.3856902564248878 Energy: 0.4388758802491465 Energy: 0.3856902564217123 Energy: 0.4388758802496757 Energy: 0.46257587994827976 Energy: 0.41736989560999005 Energy: 0.46257587994880905 Energy: 0.41736989560999005 Energy: 0.46257587994827976 Energy: 0.41736989561051935 Energy: 0.4314933034304219 Energy: 0.45773472226669726 Energy: 0.43149330342830494 Energy: 0.45773472226669726 Energy: 0.43149330342830494 Energy: 0.45773472226722645 Energy: 0.43209659651917665 Energy: 0.4034669114047716 Energy: 0.43209659651970583 Energy: 0.4034669114053009 Energy: 0.43209659651917665 Energy: 0.4034669114053009 Energy: 0.3949776103408183 Energy: 0.4855344066497873 Energy: 0.39497761033129175 Energy: 0.4855344066503165 Energy: 0.3949776103376428 Energy: 0.48553440664872877 Energy: 0.3704258137739621 Energy: 0.4603671461330168 Energy: 0.3704258137718451 Energy: 0.4603671461330168 Energy: 0.37042581377290357 Energy: 0.46036714613142904 Energy: 0.38549693816287883 Energy: 0.38621521322342445 Energy: 0.38549693816499586 Energy: 0.38621521322289515 Energy: 0.3854969381639373 Energy: 0.38621521322289515 Energy: 0.3841647405917861 Energy: 0.4603114124590247 Energy: 0.3841647405991957 Energy: 0.46031141246167095 Energy: 0.3841647405965494 Energy: 0.4603114124595539 Energy: 0.4629242392915125 Energy: 0.49308045553523266 Energy: 0.4629242392920418 Energy: 0.49308045553523266 Energy: 0.4629242392920418 Energy: 0.49308045553576196 Energy: 0.3805904362781415 Energy: 0.3861994601089659 Energy: 0.38059043627602446 Energy: 0.3861994601089659 Energy: 0.3805904362754952 Energy: 0.3861994601084366 Energy: 0.36684366229486987 Energy: 0.4577341949905099 Energy: 0.3668436622980453 Energy: 0.4577341949915684 Energy: 0.3668436622943407 Energy: 0.4577341949915684 minimum gb energy = 0.3668436622943407 eV minimum distance = 2.61778221538902 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.45989628360970486 Energy: 0.3502430681019845 Energy: 0.45989628360970486 Energy: 0.3502430681008627 Energy: 0.459896283611633 Energy: 0.3502430681008627 Energy: 0.3856509019465178 Energy: 0.39278344207172233 Energy: 0.3856509019465178 Energy: 0.39278344207210797 Energy: 0.3856509019465178 Energy: 0.39278344207172233 Energy: 0.3789023618925099 Energy: 0.39409202397463955 Energy: 0.37890236189289545 Energy: 0.39409202397502513 Energy: 0.37890236189289545 Energy: 0.39409202397463955 Energy: 0.44100311890294247 Energy: 0.3636507896796608 Energy: 0.44100311890255695 Energy: 0.36365078967927517 Energy: 0.44100311890332816 Energy: 0.36365078968004644 Energy: 0.38302345423423706 Energy: 0.3803999695524571 Energy: 0.38302345423423706 Energy: 0.38039996955284266 Energy: 0.38302345423423706 Energy: 0.3803999695524571 Energy: 0.3573170511257598 Energy: 0.3386378945023395 Energy: 0.3573170511261455 Energy: 0.33863789450195386 Energy: 0.35731705112691675 Energy: 0.3386378945023395 Energy: 0.4182754179118175 Energy: 0.3868532244830848 Energy: 0.4182754179118175 Energy: 0.38685322448347037 Energy: 0.4182754179114319 Energy: 0.3868532244830848 Energy: 0.46630256075426496 Energy: 0.41731086495211245 Energy: 0.46630256075272253 Energy: 0.4173108649517268 Energy: 0.46630256075349374 Energy: 0.41731086495211245 Energy: 0.34154384236283647 Energy: 0.3369530349455489 Energy: 0.34154384236206525 Energy: 0.33695303494670575 Energy: 0.3415438423636077 Energy: 0.3369530349455489 Energy: 0.3818025300840361 Energy: 0.33315861932861035 Energy: 0.38180253008287923 Energy: 0.3331586193282247 Energy: 0.3818025300840361 Energy: 0.3331586193332377 Energy: 0.4239227387408907 Energy: 0.4145818436418158 Energy: 0.4239227387412764 Energy: 0.4145818436418158 Energy: 0.4239227387408907 Energy: 0.4145818436422013 Energy: 0.32697361935841346 Energy: 0.372078688583285 Energy: 0.3269736193580278 Energy: 0.37207868858289933 Energy: 0.32697361935729163 Energy: 0.372078688583285 Energy: 0.3815233625474485 Energy: 0.32131572107553213 Energy: 0.38152336254706287 Energy: 0.3213157210751465 Energy: 0.38152336254706287 Energy: 0.3213157210751465 Energy: 0.41892283245071665 Energy: 0.41380638772221057 Energy: 0.41892283244994544 Energy: 0.41380638772259615 Energy: 0.4189228324511022 Energy: 0.41380638772221057 Energy: 0.3750535955339665 Energy: 0.3725540858968433 Energy: 0.3750535955343521 Energy: 0.372554085897229 Energy: 0.37505359553358086 Energy: 0.372554085897229 Energy: 0.38413451245404795 Energy: 0.3539685245429916 Energy: 0.3841345124536623 Energy: 0.35396852454183486 Energy: 0.38413451245404795 Energy: 0.3539685245422204 Energy: 0.424585590021939 Energy: 0.41105652070660714 Energy: 0.4245855900227103 Energy: 0.4110565207069928 Energy: 0.4245855900223247 Energy: 0.41105652070622156 Energy: 0.3438098377510744 Energy: 0.3717959688051548 Energy: 0.34380983775030316 Energy: 0.3717959688047692 Energy: 0.34380983775068874 Energy: 0.37179596880438354 Energy: 0.3777567418167151 Energy: 0.3802458372729295 Energy: 0.3777567418171007 Energy: 0.3802458372729295 Energy: 0.37775674181632946 Energy: 0.38024583727254385 Energy: 0.43454209386841564 Energy: 0.3742078253907084 Energy: 0.43454209386803005 Energy: 0.3742078253907084 Energy: 0.4345420938688013 Energy: 0.3742078253903229 Energy: 0.3743021123759544 Energy: 0.33424230198088944 Energy: 0.37430211237325506 Energy: 0.3342423019785758 Energy: 0.37430211237479755 Energy: 0.3342423019785758 Energy: 0.3972368347311966 Energy: 0.37997806951977164 Energy: 0.3972368347300397 Energy: 0.3799780695201573 Energy: 0.39723683473158217 Energy: 0.37997806951977164 Energy: 0.3957828671993015 Energy: 0.385426927934707 Energy: 0.39578286719891587 Energy: 0.3854269279354782 Energy: 0.3957828671985303 Energy: 0.38542692793509264 Energy: 0.40507339653392693 Energy: 0.4446332532640486 Energy: 0.40507339653392693 Energy: 0.44463325326366304 Energy: 0.4050733965327701 Energy: 0.44463325326366304 Energy: 0.379514861580803 Energy: 0.37546949511843053 Energy: 0.3795148615804174 Energy: 0.37546949511958744 Energy: 0.37951486158118863 Energy: 0.37546949511958744 Energy: 0.3783260588329573 Energy: 0.3637732080862516 Energy: 0.3783260588337285 Energy: 0.3637732080862516 Energy: 0.37832605883257164 Energy: 0.3637732080862516 Energy: 0.3554958912504586 Energy: 0.42935104478151564 Energy: 0.3554958912489162 Energy: 0.4293510447822868 Energy: 0.3554958912493018 Energy: 0.4293510447822868 Energy: 0.36986769492843125 Energy: 0.37683693854285516 Energy: 0.3698676949288169 Energy: 0.37683693854285516 Energy: 0.3698676949288169 Energy: 0.3768369385432408 Energy: 0.331893813004398 Energy: 0.34060000413331193 Energy: 0.3318938130036268 Energy: 0.34060000413331193 Energy: 0.3318938130051693 Energy: 0.34060000413331193 Energy: 0.3314009881383476 Energy: 0.42222935869869616 Energy: 0.33140098813680513 Energy: 0.4222293586990817 Energy: 0.3314009881371907 Energy: 0.42222935869869616 Energy: 0.37607787623001154 Energy: 0.37814216003765455 Energy: 0.37607787623155403 Energy: 0.37814216003765455 Energy: 0.3760778762311684 Energy: 0.37814216003804013 Energy: 0.3322330569303702 Energy: 0.3320247922257357 Energy: 0.33223305692998456 Energy: 0.33202479222612136 Energy: 0.3322330569303702 Energy: 0.3320247922257357 Energy: 0.32445184177545366 Energy: 0.37547760494689725 Energy: 0.32445184177506803 Energy: 0.37547760494689725 Energy: 0.32445184177583924 Energy: 0.3754776049465116 Energy: 0.42494142587979855 Energy: 0.42033980044119446 Energy: 0.4249414258794129 Energy: 0.42033980044119446 Energy: 0.42494142587902733 Energy: 0.42033980044119446 Energy: 0.343387995050582 Energy: 0.36612587408895236 Energy: 0.3433879950509677 Energy: 0.3661258740885668 Energy: 0.34338799505135326 Energy: 0.36612587408895236 Energy: 0.3063339148086921 Energy: 0.37428126024951447 Energy: 0.3063339148094633 Energy: 0.37428126024488706 Energy: 0.30633391481062017 Energy: 0.37428126024720076 minimum gb energy = 0.3063339148086921 eV minimum distance = 2.61274215251817 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.3261871591912237 Energy: 0.05953330764111283 Energy: 0.3261871591912237 Energy: 0.05953330763827914 Energy: 0.3261871591912237 Energy: 0.05953330764252966 Energy: 0.32618490452660504 Energy: 0.059489661593256186 Energy: 0.32618490452660504 Energy: 0.05948966158900566 Energy: 0.32618490452660504 Energy: 0.0594896615904225 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.3261871591912237 Energy: 0.05953330763686229 Energy: 0.3261871591912237 Energy: 0.05953330763686229 Energy: 0.3261871591912237 Energy: 0.05953330764111283 Energy: 0.32618490452660504 Energy: 0.05948966158617197 Energy: 0.32618490452660504 Energy: 0.0594896615904225 Energy: 0.32618490452660504 Energy: 0.05948966158758882 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.3261871591912237 Energy: 0.05953330765528125 Energy: 0.3261871591912237 Energy: 0.05953330765386441 Energy: 0.3261871591912237 Energy: 0.05953330765386441 Energy: 0.32618490452660504 Energy: 0.05948966158758882 Energy: 0.32618490452660504 Energy: 0.05948966158758882 Energy: 0.32618490452660504 Energy: 0.05948966158617197 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 Energy: 0.0587299101386011 Energy: 0.08361741112399833 minimum gb energy = 0.0587299101386011 eV minimum distance = 2.8307103849932 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.42960399291985346 Energy: 0.34505735388813086 Energy: 0.42960399292027746 Energy: 0.34505735388770686 Energy: 0.42960399292070145 Energy: 0.34505735388813086 Energy: 0.36296131055155717 Energy: 0.3621394481796188 Energy: 0.36296131055240516 Energy: 0.3621394481800428 Energy: 0.3629613105511332 Energy: 0.3621394481787708 Energy: 0.3799554561957258 Energy: 0.36271928403654535 Energy: 0.3799554561953018 Energy: 0.36271928403696935 Energy: 0.37995545619402976 Energy: 0.36271928403654535 Energy: 0.40676131375241475 Energy: 0.36084371317062475 Energy: 0.4067613137532628 Energy: 0.36084371317062475 Energy: 0.4067613137541107 Energy: 0.36084371317062475 Energy: 0.3095424485487071 Energy: 0.3628617181889017 Energy: 0.3095424485487071 Energy: 0.3628617181893257 Energy: 0.30954244854997914 Energy: 0.3628617181889017 Energy: 0.38016962384962777 Energy: 0.39260119920001496 Energy: 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Energy: 0.4081748770602274 Energy: 0.3996414953870033 Energy: 0.4081748770602274 Energy: 0.36320448918200404 Energy: 0.30995832448907995 Energy: 0.36320448918200404 Energy: 0.30995832448865596 Energy: 0.3632044891824281 Energy: 0.30995832448950394 Energy: 0.33443424052828963 Energy: 0.3164637569196601 Energy: 0.33443424052659365 Energy: 0.3164637569217801 Energy: 0.3344342405278656 Energy: 0.3164637569222041 Energy: 0.3898237753364073 Energy: 0.3550206348178153 Energy: 0.3898237753368313 Energy: 0.3550206348182393 Energy: 0.3898237753364073 Energy: 0.35502063481739127 Energy: 0.40130892110810984 Energy: 0.30634286353498663 Energy: 0.4013089211093818 Energy: 0.30634286353074663 Energy: 0.4013089211093818 Energy: 0.3063428635311707 Energy: 0.3627505389140629 Energy: 0.3998974710227238 Energy: 0.3627505389136389 Energy: 0.3998974710222998 Energy: 0.3627505389144869 Energy: 0.3998974710222998 Energy: 0.3639437470984077 Energy: 0.342064224542342 Energy: 0.3639437470984077 Energy: 0.34206422454315144 Energy: 0.3639437470984077 Energy: 0.34206422454107 Energy: 0.3960260518444228 Energy: 0.3173256960614404 Energy: 0.39602605184484685 Energy: 0.3173256960804816 Energy: 0.3960260518435749 Energy: 0.3173256960669523 Energy: 0.35393556374466834 Energy: 0.4202703085176406 Energy: 0.3539355637450923 Energy: 0.42027030851721653 Energy: 0.3539355637442443 Energy: 0.42027030851721653 Energy: 0.3771267011434599 Energy: 0.3637138050212336 Energy: 0.37712670114388397 Energy: 0.3637138050208097 Energy: 0.37712670114388397 Energy: 0.3637138050212336 Energy: 0.37804248078322716 Energy: 0.3701072512472107 Energy: 0.37804248078322716 Energy: 0.3701072512467867 Energy: 0.37804248078322716 Energy: 0.3701072512467867 Energy: 0.37089342302274336 Energy: 0.40905537073154474 Energy: 0.3708934230210474 Energy: 0.4090553707332408 Energy: 0.3708934230214714 Energy: 0.4090553707319688 Energy: 0.39751564315200977 Energy: 0.31605551327994963 Energy: 0.39751564315243376 Energy: 0.3160555132820696 Energy: 0.39751564315243376 Energy: 0.3160555132812216 Energy: 0.3979947785854963 Energy: 0.38385977100475266 Energy: 0.3979947785854963 Energy: 0.38385977100517654 Energy: 0.3979947785859203 Energy: 0.38385977100517654 Energy: 0.3452980883641232 Energy: 0.39532138895917224 Energy: 0.3452980883636992 Energy: 0.39532138896129215 Energy: 0.3452980883645472 Energy: 0.39532138895917224 Energy: 0.4124171312198041 Energy: 0.3169476066592087 Energy: 0.41241713122022816 Energy: 0.3169476066592087 Energy: 0.41241713122150014 Energy: 0.3169476066596326 Energy: 0.38640408281666444 Energy: 0.3892330366507671 Energy: 0.3864040828162404 Energy: 0.3892330366507671 Energy: 0.38640408281666444 Energy: 0.3892330366507671 Energy: 0.33040680892973595 Energy: 0.3633118837375842 Energy: 0.33040680892931196 Energy: 0.3633118837375842 Energy: 0.33040680893058394 Energy: 0.3633118837358883 Energy: 0.414285409998708 Energy: 0.335527781611989 Energy: 0.414285409998708 Energy: 0.33552778161071695 Energy: 0.41428540999955604 Energy: 0.335527781612837 Energy: 0.3101020895120765 Energy: 0.38326028590229655 Energy: 0.31010208951250046 Energy: 0.38326028590187255 Energy: 0.31010208951250046 Energy: 0.38326028590187255 Energy: 0.3240041269325813 Energy: 0.3621082407127812 Energy: 0.3240041269325813 Energy: 0.3621082407123572 Energy: 0.32400412693215735 Energy: 0.36210824071362924 Energy: 0.3092442723262988 Energy: 0.35283663626503714 Energy: 0.3092442723254509 Energy: 0.3528366362629171 Energy: 0.30924427232417884 Energy: 0.3528366362633411 minimum gb energy = 0.30634286353074663 eV minimum distance = 2.65668555241308 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.4759273854982647 Energy: 0.4167181898447789 Energy: 0.4759273854988688 Energy: 0.4167181898447789 Energy: 0.4759273854982647 Energy: 0.4167181898447789 Energy: 0.42473500277712606 Energy: 0.42378068334519264 Energy: 0.42473500277712606 Energy: 0.42378068334519264 Energy: 0.4247350027759178 Energy: 0.42378068334519264 Energy: 0.45444717460657547 Energy: 0.4254903149595192 Energy: 0.454447174608992 Energy: 0.42549031496072753 Energy: 0.4544471746077837 Energy: 0.4254903149613317 Energy: 0.3746601705700256 Energy: 0.4097504608956253 Energy: 0.37466017056579654 Energy: 0.4097504608956253 Energy: 0.37466017056458834 Energy: 0.4097504608950212 Energy: 0.3616362833689006 Energy: 0.412596619034948 Energy: 0.36163628337192133 Energy: 0.4125966190331356 Energy: 0.3616362833713172 Energy: 0.4125966190331356 Energy: 0.4506399892654284 Energy: 0.457166181552786 Energy: 0.45063998926724086 Energy: 0.457166181552786 Energy: 0.45063998926663673 Energy: 0.457166181552786 Energy: 0.4103222715742112 Energy: 0.3992492625413337 Energy: 0.41032227157300283 Energy: 0.3992492625407295 Energy: 0.41032227157300283 Energy: 0.3992492625407295 Energy: 0.4057266859282273 Energy: 0.364610769178739 Energy: 0.4057266859294081 Energy: 0.3646107691805514 Energy: 0.4057266859282273 Energy: 0.36461076918115554 Energy: 0.46378620971773976 Energy: 0.4760051147572695 Energy: 0.4637862097171356 Energy: 0.4760051147572695 Energy: 0.46378620971653145 Energy: 0.4760051147572695 Energy: 0.39322404111986153 Energy: 0.37146832259373386 Energy: 0.3932240411204656 Energy: 0.37146832259735874 Energy: 0.3932240411192574 Energy: 0.37146832259433804 Energy: 0.4181308316842344 Energy: 0.36325680775933594 Energy: 0.4181308316842344 Energy: 0.3632568077605167 Energy: 0.41813083168483844 Energy: 0.36325680775933594 Energy: 0.4148337597511321 Energy: 0.4460297185944899 Energy: 0.41483375975052794 Energy: 0.4460297185944899 Energy: 0.4148337597523404 Energy: 0.44602971859509405 Energy: 0.4442545244280653 Energy: 0.3661965821237755 Energy: 0.44425452442746116 Energy: 0.3661965821159216 Energy: 0.4442545244268571 Energy: 0.36619658211531747 Energy: 0.4138228905742449 Energy: 0.46412081407776523 Energy: 0.41382289057243243 Energy: 0.46412081407716105 Energy: 0.4138228905730366 Energy: 0.46412081407716105 Energy: 0.4195823417267026 Energy: 0.41972939769665124 Energy: 0.4195823417267026 Energy: 0.4197293976972554 Energy: 0.4195823417273068 Energy: 0.41972939769665124 Energy: 0.41924733699315536 Energy: 0.436930494277729 Energy: 0.41924733699496786 Energy: 0.436930494277729 Energy: 0.41924733699496786 Energy: 0.4369304942771248 Energy: 0.41958044703194763 Energy: 0.45265231859216265 Energy: 0.41958044703073927 Energy: 0.45265231859216265 Energy: 0.4195804470289269 Energy: 0.4526523185927668 Energy: 0.4351291458527491 Energy: 0.3669274297347187 Energy: 0.4351291458551657 Energy: 0.3669274297353229 Energy: 0.4351291458545616 Energy: 0.3669274297347187 Energy: 0.44591398433875534 Energy: 0.4600670282415306 Energy: 0.44591398433875534 Energy: 0.4600670282415306 Energy: 0.4459139843393595 Energy: 0.4600670282415306 Energy: 0.3657970331290541 Energy: 0.40297690446841816 Energy: 0.3657970331236167 Energy: 0.40297690446720996 Energy: 0.3657970331308665 Energy: 0.40297690446902235 Energy: 0.4682919227406918 Energy: 0.4160222187699516 Energy: 0.46829192274129594 Energy: 0.41602221876511836 Energy: 0.46829192274008774 Energy: 0.41602221876572254 Energy: 0.42580739160968967 Energy: 0.48238139732691687 Energy: 0.42580739160848136 Energy: 0.48238139732691687 Energy: 0.4258073916090855 Energy: 0.48238139732752106 Energy: 0.365261293321187 Energy: 0.40222208039520063 Energy: 0.36526129331997875 Energy: 0.4022220803958048 Energy: 0.36526129331937457 Energy: 0.40222208039520063 minimum gb energy = 0.3616362833689006 eV minimum distance = 2.67085859570225 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5069293041542964 Energy: 0.4252387227763246 Energy: 0.5069293041573625 Energy: 0.4252387227763246 Energy: 0.5069293041565959 Energy: 0.4252387227759414 Energy: 0.4476754606585089 Energy: 0.45555375268528664 Energy: 0.4476754606588922 Energy: 0.4555537526849034 Energy: 0.4476754606588922 Energy: 0.45555375268528664 Energy: 0.49280115077475545 Energy: 0.4553977853241759 Energy: 0.49280115077437225 Energy: 0.45539778532379255 Energy: 0.49280115077513864 Energy: 0.4553977853241759 Energy: 0.49794105853342563 Energy: 0.4325383285851441 Energy: 0.49794105853342563 Energy: 0.4325383285859106 Energy: 0.4979410585330424 Energy: 0.4325383285855274 Energy: 0.4121174591301787 Energy: 0.44887582571387163 Energy: 0.41211745913094533 Energy: 0.4488758257134884 Energy: 0.4121174591301787 Energy: 0.4488758257142549 Energy: 0.5263127379127095 Energy: 0.5228284900338643 Energy: 0.5263127379115597 Energy: 0.5162376128829799 Energy: 0.5263127379127095 Energy: 0.5162376128825966 Energy: 0.447922596028279 Energy: 0.42202064483577867 Energy: 0.4479225960294288 Energy: 0.42202064483577867 Energy: 0.44792259602751244 Energy: 0.42202064483616203 Energy: 0.4430705355686048 Energy: 0.4997605817485218 Energy: 0.44307053556937137 Energy: 0.4997605817485218 Energy: 0.44307053557013787 Energy: 0.4997605817481385 Energy: 0.45297613233379463 Energy: 0.44457290657421794 Energy: 0.4529761323334113 Energy: 0.44457290657345144 Energy: 0.45297613233264483 Energy: 0.44457290657536774 Energy: 0.4654648832552894 Energy: 0.41214875043686255 Energy: 0.46546488325605595 Energy: 0.41214875043494625 Energy: 0.4654648832552894 Energy: 0.4071813874511089 Energy: 0.4553403959928327 Energy: 0.5056741199573563 Energy: 0.4553403959916829 Energy: 0.5056741199573563 Energy: 0.4553403959920662 Energy: 0.5056741199569731 Energy: 0.3985645797395409 Energy: 0.45640058112624465 Energy: 0.3985645797383911 Energy: 0.45640058112624465 Energy: 0.3985645797380078 Energy: 0.45640058112624465 Energy: 0.4967596891887694 Energy: 0.42989767810040624 Energy: 0.4967596891880029 Energy: 0.42989767810002294 Energy: 0.4967596891880029 Energy: 0.42989767810002294 Energy: 0.4651194562954063 Energy: 0.478912760284862 Energy: 0.4651194562973226 Energy: 0.478912760284862 Energy: 0.4651194562957896 Energy: 0.478912760284862 Energy: 0.46720210939529633 Energy: 0.4539566164892701 Energy: 0.4672021093937633 Energy: 0.45395661648888685 Energy: 0.46720210939452983 Energy: 0.45395661648888685 Energy: 0.4977761645127264 Energy: 0.4857912124736193 Energy: 0.49777616451195994 Energy: 0.4857912124736193 Energy: 0.4977761645127264 Energy: 0.4857912124736193 Energy: 0.4015306267032717 Energy: 0.4435946361843078 Energy: 0.4015306267044216 Energy: 0.4435946361843078 Energy: 0.401530626703655 Energy: 0.4435946361843078 Energy: 0.4563490944618662 Energy: 0.5070358484693053 Energy: 0.45634909446071653 Energy: 0.5070358484693053 Energy: 0.45634909445880023 Energy: 0.5070358484693053 Energy: 0.44916982645715847 Energy: 0.48861535056098865 Energy: 0.44916982645830833 Energy: 0.48861535056060534 Energy: 0.4491698264575418 Energy: 0.48861535056060534 Energy: 0.4428987877816276 Energy: 0.45517833066931457 Energy: 0.44289878778086117 Energy: 0.45517833066931457 Energy: 0.44289878778239417 Energy: 0.4551783306696978 Energy: 0.4990426362752469 Energy: 0.4855097206612169 Energy: 0.4990426362752469 Energy: 0.4855097206616001 Energy: 0.4990426362760134 Energy: 0.4855097206612169 Energy: 0.46938405494742724 Energy: 0.3885201173003711 Energy: 0.46938405494551094 Energy: 0.3885201173007544 Energy: 0.46938405494704405 Energy: 0.3885201173003711 Energy: 0.4527725280021024 Energy: 0.5054666840022013 Energy: 0.4527725280013359 Energy: 0.5054666840022013 Energy: 0.4527725280028689 Energy: 0.5054666840025847 Energy: 0.47611540802622654 Energy: 0.4513492144846418 Energy: 0.4761154080258433 Energy: 0.451349214485025 Energy: 0.4761154080266099 Energy: 0.4513492144838753 Energy: 0.39694801789138057 Energy: 0.45524427436853465 Energy: 0.3969480178909974 Energy: 0.4552442743693011 Energy: 0.39694801789329687 Energy: 0.45524427436891785 Energy: 0.4541676398296964 Energy: 0.4900027775459489 Energy: 0.4541676398300797 Energy: 0.4900027775478652 Energy: 0.4541676398293132 Energy: 0.4900027775470987 Energy: 0.44795039150688054 Energy: 0.38721025222343025 Energy: 0.44795039150764704 Energy: 0.38721025222304695 Energy: 0.44795039150764704 Energy: 0.38721025222343025 Energy: 0.5093929833557403 Energy: 0.5316166780114143 Energy: 0.5093929833568902 Energy: 0.5316166780114143 Energy: 0.5093929833561235 Energy: 0.5316166780110312 Energy: 0.44114751147128856 Energy: 0.44957418984560554 Energy: 0.44114751147167175 Energy: 0.44957418984483905 Energy: 0.44114751147052206 Energy: 0.44957418984560554 Energy: 0.4485076843874991 Energy: 0.4196824681406661 Energy: 0.4485076843871158 Energy: 0.41968246814143273 Energy: 0.44850768438596605 Energy: 0.41968246813760013 Energy: 0.5295325799609246 Energy: 0.509187507101244 Energy: 0.5295325799624228 Energy: 0.5091875071008609 Energy: 0.5295325799609246 Energy: 0.5091875071008609 Energy: 0.41108459589595003 Energy: 0.4546002650564682 Energy: 0.41108459589671653 Energy: 0.454600265056085 Energy: 0.4110845958932672 Energy: 0.4546002650564682 Energy: 0.4983869185527033 Energy: 0.45937078762344075 Energy: 0.4983869185534697 Energy: 0.45937078762344075 Energy: 0.4983869185534697 Energy: 0.4593707876226742 Energy: 0.4230631651241398 Energy: 0.4556612684507067 Energy: 0.42306316512567277 Energy: 0.4556612684507067 Energy: 0.4230631651237565 Energy: 0.4556612684507067 Energy: 0.4570847252729558 Energy: 0.45439302899194023 Energy: 0.4570847252748721 Energy: 0.45439302899194023 Energy: 0.4570847252737223 Energy: 0.45439302899117373 Energy: 0.5212862018012394 Energy: 0.426802180545568 Energy: 0.5212862018000897 Energy: 0.4268021805451847 Energy: 0.5212862018012394 Energy: 0.426802180545568 Energy: 0.44884425728354077 Energy: 0.45186862569711395 Energy: 0.44884425728354077 Energy: 0.45186862569673075 Energy: 0.44884425728430727 Energy: 0.45186862569673075 minimum gb energy = 0.38721025222304695 eV minimum distance = 2.65165216943496 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5394655533644194 Energy: 0.49104652026897333 Energy: 0.5394655533644194 Energy: 0.4910465202679269 Energy: 0.5394655533644194 Energy: 0.49104652026897333 Energy: 0.48887086546306985 Energy: 0.5096305952400936 Energy: 0.48887086546306985 Energy: 0.5096305952390471 Energy: 0.48887086546306985 Energy: 0.5096305952390471 Energy: 0.5803857918076634 Energy: 0.5130685862791939 Energy: 0.5810810309473463 Energy: 0.5130685862791939 Energy: 0.5810810309483927 Energy: 0.5130685862791939 Energy: 0.5205037787086942 Energy: 0.517435316206596 Energy: 0.5205037787055552 Energy: 0.517435316206596 Energy: 0.5205037787055552 Energy: 0.517435316206596 Energy: 0.4744913660330763 Energy: 0.511871107268658 Energy: 0.4744913660341227 Energy: 0.5118711072665652 Energy: 0.47449136603202985 Energy: 0.5118711072676116 Energy: 0.5581768019245201 Energy: 0.5290476726971453 Energy: 0.5581768019255666 Energy: 0.5290476726981679 Energy: 0.5581768019245201 Energy: 0.5290476726971453 Energy: 0.5258310237643022 Energy: 0.4765892783629153 Energy: 0.5258310237643022 Energy: 0.4765892783650081 Energy: 0.5258310237632557 Energy: 0.47658927836396175 Energy: 0.515225343461803 Energy: 0.5206544317533197 Energy: 0.515225343461803 Energy: 0.5206544317533197 Energy: 0.5152253434607567 Energy: 0.5206544317533197 Energy: 0.4906264063236142 Energy: 0.4854599501971178 Energy: 0.4906264063236142 Energy: 0.4854599501981641 Energy: 0.4906264063236142 Energy: 0.4854599501981641 Energy: 0.5362155567660586 Energy: 0.4929411171753697 Energy: 0.5362155567660586 Energy: 0.4929411171753697 Energy: 0.5362155567660586 Energy: 0.4929411171753697 Energy: 0.4903164316745708 Energy: 0.5287528063863931 Energy: 0.4903164316745708 Energy: 0.5287528063853468 Energy: 0.4903164316745708 Energy: 0.5287528063853468 Energy: 0.5226945954553859 Energy: 0.5099651758938657 Energy: 0.5226945954553859 Energy: 0.5099651758938657 Energy: 0.5226945954543395 Energy: 0.5099651758938657 Energy: 0.5480297074631719 Energy: 0.5416090361588541 Energy: 0.5480297074631719 Energy: 0.5416090361599005 Energy: 0.5480297074642182 Energy: 0.5416090361588541 Energy: 0.4774817486821379 Energy: 0.5085028745817326 Energy: 0.4774817486821379 Energy: 0.5085028745817326 Energy: 0.4774817486821379 Energy: 0.5085028745817326 minimum gb energy = 0.47449136603202985 eV minimum distance = 2.63040382699892 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5849904232060906 Energy: 0.5776102601375158 Energy: 0.5849904232060906 Energy: 0.5776102601375158 Energy: 0.5849904232060906 Energy: 0.5776102601375158 Energy: 0.5105080519816918 Energy: 0.5643354644209007 Energy: 0.5105080519812322 Energy: 0.5643354644209007 Energy: 0.5105080519812322 Energy: 0.5643354644209007 Energy: 0.5575202935353976 Energy: 0.5449968239022044 Energy: 0.5575202935353976 Energy: 0.5449968239022044 Energy: 0.5575202935349378 Energy: 0.5449968239022044 Energy: 0.5473990097572298 Energy: 0.523369520528248 Energy: 0.5473990097567701 Energy: 0.5233695205277884 Energy: 0.5473990097567701 Energy: 0.5233695205277884 Energy: 0.5654773118353307 Energy: 0.5487693066435285 Energy: 0.5654773118353307 Energy: 0.548769306643069 Energy: 0.5654773118353307 Energy: 0.5487693066435285 Energy: 0.5377699444748054 Energy: 0.5662805934760552 Energy: 0.5377699444748054 Energy: 0.5662805934760552 Energy: 0.5377699444743458 Energy: 0.5662805934760552 Energy: 0.55391092795718 Energy: 0.5509761302873679 Energy: 0.5539109279576396 Energy: 0.5509761302878275 Energy: 0.55391092795718 Energy: 0.5509761302878275 Energy: 0.5371913727777099 Energy: 0.5441636459926376 Energy: 0.5371913727772502 Energy: 0.5441636459926376 Energy: 0.5371913727781695 Energy: 0.5441636459917182 Energy: 0.543219133263723 Energy: 0.5454610832944216 Energy: 0.543219133263723 Energy: 0.5454610832944216 Energy: 0.543219133263723 Energy: 0.5454610832944216 Energy: 0.5448208824774703 Energy: 0.558985007610987 Energy: 0.54482088247793 Energy: 0.5589850076114466 Energy: 0.5448208824774703 Energy: 0.5589850076119063 Energy: 0.526022460327419 Energy: 0.563736470309304 Energy: 0.5260224603264997 Energy: 0.5637364703088443 Energy: 0.5260224603269593 Energy: 0.5637364703083846 Energy: 0.555844381386001 Energy: 0.5702560595245219 Energy: 0.5558443813864606 Energy: 0.5702560595245219 Energy: 0.5558443813864606 Energy: 0.570256059524083 Energy: 0.5475236929529466 Energy: 0.5384466899670655 Energy: 0.547523692952487 Energy: 0.5384466899670655 Energy: 0.5475236929515885 Energy: 0.5384466899675251 Energy: 0.5418841368527326 Energy: 0.5471151806877795 Energy: 0.5418841368522729 Energy: 0.5471151806873198 Energy: 0.5418841368527326 Energy: 0.5471151806882393 Energy: 0.5226597934608642 Energy: 0.5374702336914424 Energy: 0.5226597934599447 Energy: 0.5374702336914424 Energy: 0.5226597934613239 Energy: 0.5374702336914424 Energy: 0.5561719346024394 Energy: 0.5497288705052121 Energy: 0.5561719346033588 Energy: 0.5497288705047525 Energy: 0.5561719346024394 Energy: 0.5497288705052121 Energy: 0.5173519088524149 Energy: 0.5552919231522819 Energy: 0.5173519088528746 Energy: 0.5552919231522819 Energy: 0.5173519088528746 Energy: 0.5552919231527416 Energy: 0.5693977798278915 Energy: 0.571234058653541 Energy: 0.5693977798274319 Energy: 0.571234058653541 Energy: 0.5693977798278915 Energy: 0.571234058653541 Energy: 0.5368581576716247 Energy: 0.5153266132508753 Energy: 0.5368581576725442 Energy: 0.5153266132508753 Energy: 0.5368581576716247 Energy: 0.5153266132513351 Energy: 0.5534645626527522 Energy: 0.5522576813155451 Energy: 0.553464562651833 Energy: 0.5522576813155451 Energy: 0.5534645626532121 Energy: 0.5522576813155451 Energy: 0.5152988570229959 Energy: 0.5227755368768399 Energy: 0.5152988570225362 Energy: 0.5227755368768399 Energy: 0.5152988570225362 Energy: 0.5227755368768399 Energy: 0.5590330838711639 Energy: 0.5802456001431886 Energy: 0.5590330838707044 Energy: 0.580245600142729 Energy: 0.5590330838711639 Energy: 0.580245600142729 Energy: 0.5463018898841536 Energy: 0.5439003782729572 Energy: 0.5463018898850729 Energy: 0.5439003782729572 Energy: 0.5463018898846133 Energy: 0.5439003782729572 Energy: 0.5626801546212857 Energy: 0.5635423956675315 Energy: 0.5626801546203664 Energy: 0.5635423956675315 Energy: 0.5626801546203664 Energy: 0.5635423956675315 Energy: 0.5446892653894068 Energy: 0.5519418790690231 Energy: 0.5446892653889471 Energy: 0.5519418790694828 Energy: 0.5446892653898664 Energy: 0.5519418790694828 Energy: 0.5357344051538481 Energy: 0.5507418953529254 Energy: 0.5357344051543077 Energy: 0.5507418953529254 Energy: 0.5357344051529286 Energy: 0.5507418953529254 Energy: 0.5393497985452944 Energy: 0.5605218305679622 Energy: 0.5393497985466734 Energy: 0.5605218305679622 Energy: 0.5393497985462137 Energy: 0.5605218305679622 Energy: 0.5499833695300845 Energy: 0.5220662334272647 Energy: 0.5499833695310039 Energy: 0.5220662334272647 Energy: 0.5499833695310039 Energy: 0.5220662334272647 Energy: 0.5416730710260568 Energy: 0.5469737098597334 Energy: 0.5416730710255971 Energy: 0.5469737098601931 Energy: 0.5416730710260568 Energy: 0.5469737098597334 Energy: 0.5264796185922138 Energy: 0.5081331291671048 Energy: 0.5264796185912944 Energy: 0.5081331291671048 Energy: 0.5264796185917541 Energy: 0.5081331291671048 Energy: 0.5460146334900835 Energy: 0.565420567078588 Energy: 0.5460146334900835 Energy: 0.5654205670781285 Energy: 0.5460146334896239 Energy: 0.5654205670781285 minimum gb energy = 0.5081331291671048 eV minimum distance = 2.58008999911352 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5043175311896013 Energy: 0.48327815346509556 Energy: 0.5043175311896013 Energy: 0.48327815346509556 Energy: 0.5043175311896013 Energy: 0.48327815346591363 Energy: 0.5404484571848408 Energy: 0.6015864586845306 Energy: 0.5404484571848408 Energy: 0.6015864586845306 Energy: 0.5404484571840227 Energy: 0.6015864586845306 Energy: 0.551224457438706 Energy: 0.529633657846029 Energy: 0.5512244574378878 Energy: 0.529633657846029 Energy: 0.551224457440342 Energy: 0.529633657846029 Energy: 0.4980559622545899 Energy: 0.5892036943408091 Energy: 0.498055962256226 Energy: 0.5903841908398099 Energy: 0.498055962255408 Energy: 0.5903841908389919 Energy: 0.5511708764735737 Energy: 0.5296529141332972 Energy: 0.5511708764735737 Energy: 0.5296529141332972 Energy: 0.5511708764735737 Energy: 0.5296529141332972 Energy: 0.540646352845781 Energy: 0.5012967741101043 Energy: 0.540646352845781 Energy: 0.5012967741092863 Energy: 0.540646352845781 Energy: 0.5012967741101043 Energy: 0.5043175311920555 Energy: 0.4832781534683676 Energy: 0.5043175311920555 Energy: 0.4832781534683676 Energy: 0.5043175311920555 Energy: 0.4832781534683676 Energy: 0.5404484571889309 Energy: 0.6015864586837126 Energy: 0.5404484571897488 Energy: 0.6015864586837126 Energy: 0.5404484571897488 Energy: 0.6015864586845306 Energy: 0.551224457439524 Energy: 0.529633657848483 Energy: 0.551224457440342 Energy: 0.529633657848483 Energy: 0.551224457439524 Energy: 0.529633657848483 Energy: 0.498055962256226 Energy: 0.48905906196785015 Energy: 0.498055962255408 Energy: 0.48905906196703214 Energy: 0.498055962255408 Energy: 0.48905906196785015 Energy: 0.5511708764735737 Energy: 0.5296529141316612 Energy: 0.5511708764727558 Energy: 0.5296529141316612 Energy: 0.5511708764735737 Energy: 0.5296529141316612 Energy: 0.5406463528474169 Energy: 0.5012967741117403 Energy: 0.5406463528474169 Energy: 0.5012967741117403 Energy: 0.5406463528474169 Energy: 0.5012967741117403 Energy: 0.5043175311896013 Energy: 0.48327815346591363 Energy: 0.5043175311896013 Energy: 0.48327815346591363 Energy: 0.5043175311896013 Energy: 0.48327815346591363 Energy: 0.5404484571848408 Energy: 0.6015864586837126 Energy: 0.5404484571848408 Energy: 0.6015864586837126 Energy: 0.5404484571848408 Energy: 0.6015864586845306 Energy: 0.551224457439524 Energy: 0.529633657846029 Energy: 0.551224457439524 Energy: 0.529633657846029 Energy: 0.55122445744116 Energy: 0.529633657846029 Energy: 0.498055962255408 Energy: 0.48905906196539617 Energy: 0.498055962255408 Energy: 0.4890590619645781 Energy: 0.498055962255408 Energy: 0.4890590619662141 Energy: 0.5511708764735737 Energy: 0.5296529141332972 Energy: 0.5511708764735737 Energy: 0.5296529141332972 Energy: 0.5511708764735737 Energy: 0.5296529141332972 minimum gb energy = 0.48327815346509556 eV minimum distance = 2.65018884188785 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.550459182590108 Energy: 0.5942979355052779 Energy: 0.5504591825907759 Energy: 0.5942979355052779 Energy: 0.5504591825907759 Energy: 0.5942979355059458 Energy: 0.5483871991998943 Energy: 0.5832297407081407 Energy: 0.5483871992005622 Energy: 0.5832297407074727 Energy: 0.5483871991998943 Energy: 0.5832297407074727 Energy: 0.5515678669088734 Energy: 0.5426557881612247 Energy: 0.5515678669088734 Energy: 0.5426557881612247 Energy: 0.5515678669062017 Energy: 0.5426557881605569 Energy: 0.53463505396534 Energy: 0.5970438500828333 Energy: 0.5346350539646721 Energy: 0.5970438500828333 Energy: 0.5346350539646721 Energy: 0.5970438500828333 Energy: 0.5440119085492245 Energy: 0.551041749113723 Energy: 0.5440119085492245 Energy: 0.5510417491123871 Energy: 0.5440119085498925 Energy: 0.551041749113055 Energy: 0.5583898875209192 Energy: 0.5496012548232675 Energy: 0.5583898875209192 Energy: 0.5496012548239354 Energy: 0.5583898875209192 Energy: 0.5496012548232675 Energy: 0.5332792817935722 Energy: 0.5584604487503415 Energy: 0.5332792817929043 Energy: 0.5584604487496736 Energy: 0.5332792817935722 Energy: 0.5584604487503415 Energy: 0.5525432258152878 Energy: 0.5529405898335538 Energy: 0.5525432258159557 Energy: 0.552940589832886 Energy: 0.5525432258146199 Energy: 0.552940589832218 Energy: 0.5839831771478282 Energy: 0.5648110421378838 Energy: 0.5839831771478282 Energy: 0.5648110421378838 Energy: 0.5839831771464924 Energy: 0.5648110421378838 Energy: 0.5346807002555649 Energy: 0.5459964004585107 Energy: 0.534680700254229 Energy: 0.5459964004578428 Energy: 0.534680700254897 Energy: 0.5459964004591786 Energy: 0.5659069211197083 Energy: 0.5523463165421155 Energy: 0.5659069211190404 Energy: 0.5523463165421155 Energy: 0.5659069211183724 Energy: 0.5523463165427834 Energy: 0.5814391853108927 Energy: 0.5459333383686162 Energy: 0.5814391853108927 Energy: 0.5459333383686162 Energy: 0.5814391853108927 Energy: 0.5459333383686162 Energy: 0.5355649706103806 Energy: 0.5689506575247512 Energy: 0.5355649706097125 Energy: 0.5689506575247512 Energy: 0.5355649706090447 Energy: 0.5689506575254191 Energy: 0.5524926037543858 Energy: 0.5482223405340282 Energy: 0.5524926037550536 Energy: 0.548222340534696 Energy: 0.5524926037537179 Energy: 0.5482223405340282 Energy: 0.5845088182241683 Energy: 0.5401158147357352 Energy: 0.5845088182255042 Energy: 0.5401158147357352 Energy: 0.5845088182248361 Energy: 0.5401158147357352 Energy: 0.5532907025027559 Energy: 0.5774825565711287 Energy: 0.5532907025027559 Energy: 0.5774825565717966 Energy: 0.5532907025027559 Energy: 0.5774825565731325 Energy: 0.5570547041177759 Energy: 0.5468639188587403 Energy: 0.5570547041171079 Energy: 0.5468639188581027 Energy: 0.5570547041197795 Energy: 0.5468639188587403 Energy: 0.6291895233792276 Energy: 0.5446911111632445 Energy: 0.6291895233792276 Energy: 0.5446911111632445 Energy: 0.6291895233792276 Energy: 0.5446911111632445 Energy: 0.5369446780477978 Energy: 0.5504440816786924 Energy: 0.5369446780471298 Energy: 0.5504440816773566 Energy: 0.5369446780477978 Energy: 0.5504440816773566 Energy: 0.5685882959722584 Energy: 0.5641314953235081 Energy: 0.5685882959729261 Energy: 0.5641314953235081 Energy: 0.5685882959722584 Energy: 0.5641314953235081 Energy: 0.5781729804361995 Energy: 0.5415444001406386 Energy: 0.5781729804355313 Energy: 0.5415444001406386 Energy: 0.5781729804361995 Energy: 0.5415444001399706 minimum gb energy = 0.5332792817929043 eV minimum distance = 2.59855355348474 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5537528611897704 Energy: 0.5541676069892347 Energy: 0.5537528611886444 Energy: 0.5541676069886717 Energy: 0.5537528611892074 Energy: 0.5541676069881087 Energy: 0.5467122015886077 Energy: 0.5405972650667917 Energy: 0.5467122015874817 Energy: 0.5405972650673547 Energy: 0.5467122015891708 Energy: 0.5405972650673547 Energy: 0.5295506336989197 Energy: 0.5363625164978041 Energy: 0.5295506337006088 Energy: 0.5363625164978041 Energy: 0.5295506336989197 Energy: 0.5363625164983671 Energy: 0.5065475858837977 Energy: 0.5111522697035288 Energy: 0.5065475858832347 Energy: 0.5111522697035288 Energy: 0.5065475858837977 Energy: 0.5111522697035288 Energy: 0.5124850721748705 Energy: 0.5452801097272966 Energy: 0.5124850721765595 Energy: 0.5452801097267336 Energy: 0.5124850721759965 Energy: 0.5452801097272966 Energy: 0.5489531801772365 Energy: 0.5392656685250813 Energy: 0.5489531801766735 Energy: 0.5392656685245184 Energy: 0.5489531801766735 Energy: 0.5392656685250813 Energy: 0.5219239273090513 Energy: 0.5524859374639444 Energy: 0.5219239273084884 Energy: 0.5524859374639444 Energy: 0.5219239273079254 Energy: 0.5524859374639444 Energy: 0.5315931817934428 Energy: 0.5353324118277639 Energy: 0.5315931817940057 Energy: 0.5353324118283269 Energy: 0.5315931817934428 Energy: 0.5353324118283269 Energy: 0.5418526827387411 Energy: 0.5085340572194562 Energy: 0.5418526827381781 Energy: 0.5085340572188933 Energy: 0.5418526827381781 Energy: 0.5085340572188933 Energy: 0.5066608367483548 Energy: 0.5524533864066442 Energy: 0.5066608367477918 Energy: 0.5524533864066442 Energy: 0.5066608367477918 Energy: 0.5524533864066442 Energy: 0.5064927068318512 Energy: 0.5680786765603657 Energy: 0.5064927068324142 Energy: 0.5680786765598026 Energy: 0.5064927068324142 Energy: 0.5680786765598026 Energy: 0.5505454054595477 Energy: 0.5198987588860238 Energy: 0.5505454054601107 Energy: 0.5198987588854608 Energy: 0.5505454054589847 Energy: 0.5198987588860238 Energy: 0.534965851731588 Energy: 0.5310397443482934 Energy: 0.534965851731588 Energy: 0.5310397443488564 Energy: 0.534965851731588 Energy: 0.5310397443477303 Energy: 0.5061218605967753 Energy: 0.542573832675857 Energy: 0.5061218605962123 Energy: 0.542573832675857 Energy: 0.5061218605950862 Energy: 0.542573832675857 Energy: 0.5483027286402241 Energy: 0.5401177435234767 Energy: 0.5483027286402241 Energy: 0.5401177435229138 Energy: 0.5483027286402241 Energy: 0.5401177435234767 Energy: 0.5119542041175682 Energy: 0.5599092779226953 Energy: 0.5119542041170052 Energy: 0.5599092779226953 Energy: 0.5119542041181312 Energy: 0.5599092779238213 Energy: 0.49315503067518085 Energy: 0.5468735206666152 Energy: 0.49315503067461786 Energy: 0.5468735206666152 Energy: 0.49315503067518085 Energy: 0.5468735206666152 Energy: 0.5351748669832969 Energy: 0.5327079308275515 Energy: 0.5351748669832969 Energy: 0.5327079308281144 Energy: 0.5351748669832969 Energy: 0.5327079308275515 Energy: 0.510745211173333 Energy: 0.5314956204404162 Energy: 0.510745211177274 Energy: 0.5314956204404162 Energy: 0.510745211177274 Energy: 0.5314956204404162 Energy: 0.5537528611863924 Energy: 0.5541676069869826 Energy: 0.5537528611852665 Energy: 0.5541676069869826 Energy: 0.5537528611858296 Energy: 0.5541676069858567 Energy: 0.5467122015948007 Energy: 0.5405972650679177 Energy: 0.5467122015948007 Energy: 0.5405972650673547 Energy: 0.5467122015953637 Energy: 0.5405972650673547 Energy: 0.5295506336938529 Energy: 0.5363625164983671 Energy: 0.5295506336955419 Energy: 0.5363625164978041 Energy: 0.5295506336949789 Energy: 0.5363625164972411 Energy: 0.5065475858809827 Energy: 0.5111522697057809 Energy: 0.5065475858815457 Energy: 0.5111522697057809 Energy: 0.5065475858815457 Energy: 0.5111522697057809 Energy: 0.5124850721731814 Energy: 0.5452801097329265 Energy: 0.5124850721743075 Energy: 0.5452801097334895 Energy: 0.5124850721731814 Energy: 0.5452801097329265 Energy: 0.5489531801806145 Energy: 0.5392656685273077 Energy: 0.5489531801789255 Energy: 0.5392656685273077 Energy: 0.5489531801806145 Energy: 0.5392656685273077 minimum gb energy = 0.49315503067461786 eV minimum distance = 2.61063373947496 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5162758529603315 Energy: 0.5980608498219033 Energy: 0.5162758529603315 Energy: 0.5980608498214174 Energy: 0.5162758529603315 Energy: 0.5980608498214174 Energy: 0.5477338406453679 Energy: 0.5125733340360275 Energy: 0.5477338406458538 Energy: 0.5125733340355415 Energy: 0.5477338406453679 Energy: 0.5125733340355415 Energy: 0.587630231782952 Energy: 0.49352947694832267 Energy: 0.587630231783438 Energy: 0.4935294769488086 Energy: 0.5876302317824661 Energy: 0.4935294769488086 Energy: 0.4999188941848892 Energy: 0.5681148142403318 Energy: 0.49991889418391733 Energy: 0.5681148142403318 Energy: 0.4999188941844033 Energy: 0.5681148142403318 Energy: 0.5217243403726021 Energy: 0.5115535356876422 Energy: 0.5217243403740599 Energy: 0.5115535356871562 Energy: 0.5217243403789196 Energy: 0.5115535356881282 Energy: 0.5667874426956458 Energy: 0.5012896062317188 Energy: 0.5667874426951599 Energy: 0.5012896062317188 Energy: 0.5667874426951599 Energy: 0.5012896062322048 Energy: 0.5012125120859181 Energy: 0.5765878172179386 Energy: 0.501212512086404 Energy: 0.5765878172179386 Energy: 0.5012125120849461 Energy: 0.5765878172179386 Energy: 0.5191506287758668 Energy: 0.6020286882838166 Energy: 0.5191506287758668 Energy: 0.6020286882838166 Energy: 0.5191506287763528 Energy: 0.6020286882847886 Energy: 0.5789320937317036 Energy: 0.49113613329275435 Energy: 0.5789320937321896 Energy: 0.49113613329275435 Energy: 0.5789320937317036 Energy: 0.49113613329275435 Energy: 0.5048139823323543 Energy: 0.5348898768896512 Energy: 0.5048139823323543 Energy: 0.5348898768886793 Energy: 0.5048139823318684 Energy: 0.5348898768886793 Energy: 0.49289783111770136 Energy: 0.5853816532029115 Energy: 0.49289783111818736 Energy: 0.5853816532024255 Energy: 0.49289783111818736 Energy: 0.5853816532033974 Energy: 0.5625710090567189 Energy: 0.49137381773825123 Energy: 0.5625710090581768 Energy: 0.49137381773873723 Energy: 0.562571009056255 Energy: 0.49137381773825123 Energy: 0.5403463707372113 Energy: 0.5085712417261045 Energy: 0.5403463707372113 Energy: 0.5085712417265905 Energy: 0.5403463707372113 Energy: 0.5085712417265905 Energy: 0.4994424284346714 Energy: 0.5658633203414442 Energy: 0.4994424284346714 Energy: 0.5658633203414442 Energy: 0.49944242843418546 Energy: 0.5658633203414442 Energy: 0.5351272841375774 Energy: 0.4879651668669973 Energy: 0.5351272841375774 Energy: 0.4879651668674833 Energy: 0.5351272841375774 Energy: 0.4879651668674833 Energy: 0.5888510442975419 Energy: 0.49191285292989567 Energy: 0.5888510442970558 Energy: 0.49191285292989567 Energy: 0.5888510442975419 Energy: 0.4919128529303816 Energy: 0.5056807994961424 Energy: 0.5712255686224792 Energy: 0.5056807994956565 Energy: 0.5712255686229651 Energy: 0.5056807994956565 Energy: 0.5712255686224792 Energy: 0.5347736179229593 Energy: 0.5537868501308288 Energy: 0.5347736179224734 Energy: 0.5537868501308288 Energy: 0.5347736179229593 Energy: 0.5537868501308288 Energy: 0.5378650465041931 Energy: 0.5004751608923322 Energy: 0.5378650465032212 Energy: 0.5004751608918463 Energy: 0.5378650465041931 Energy: 0.5004751608913603 Energy: 0.502404323198497 Energy: 0.5541190692667524 Energy: 0.502404323198497 Energy: 0.5541190692677244 Energy: 0.502404323198983 Energy: 0.5541190692672384 Energy: 0.49545459985569607 Energy: 0.5567036208666412 Energy: 0.49545459985569607 Energy: 0.5567036208680991 Energy: 0.49545459985472406 Energy: 0.5567036208676132 Energy: 0.581083154922086 Energy: 0.5010249252261184 Energy: 0.5810831549225719 Energy: 0.5010249252261184 Energy: 0.5810831549225719 Energy: 0.5010249252261184 Energy: 0.5190647573795555 Energy: 0.5164435808003743 Energy: 0.5190647573800414 Energy: 0.5164435808003743 Energy: 0.5190647573795555 Energy: 0.5164435807998884 Energy: 0.5181512676031924 Energy: 0.577495386858419 Energy: 0.5181512676031924 Energy: 0.577495386858419 Energy: 0.5181512676027064 Energy: 0.577495386858419 Energy: 0.5466982041832625 Energy: 0.5008919398852235 Energy: 0.5466982041837485 Energy: 0.5008919398852235 Energy: 0.5466982041832625 Energy: 0.5008919398852235 Energy: 0.5034954992313974 Energy: 0.498845111501585 Energy: 0.5034954992318834 Energy: 0.49884511150207095 Energy: 0.5034954992323694 Energy: 0.49884511150207095 Energy: 0.4922898912145963 Energy: 0.5565039790071762 Energy: 0.4922898912145963 Energy: 0.5565039790071762 Energy: 0.4922898912145963 Energy: 0.5565039790071762 Energy: 0.5350007664939093 Energy: 0.5007915584004647 Energy: 0.5350007664939093 Energy: 0.5007915584004647 Energy: 0.5350007664943952 Energy: 0.5007915584004647 Energy: 0.5624146876547762 Energy: 0.5004896583075303 Energy: 0.5624146876547762 Energy: 0.5004896583075303 Energy: 0.5624146876542903 Energy: 0.5004896583080163 minimum gb energy = 0.4879651668669973 eV minimum distance = 2.6014755292303 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.4945873260098323 Energy: 0.5750453105967924 Energy: 0.49458732600897787 Energy: 0.5750453105967924 Energy: 0.494587326009405 Energy: 0.5750453105972196 Energy: 0.5465508237419949 Energy: 0.5094140425715996 Energy: 0.546550823742422 Energy: 0.4979989224576447 Energy: 0.546550823742422 Energy: 0.49799892245721744 Energy: 0.5716747785347901 Energy: 0.47316389261584896 Energy: 0.5716747785347901 Energy: 0.47316389261499464 Energy: 0.5716747785352173 Energy: 0.4731638926145674 Energy: 0.47234349906793816 Energy: 0.5353332652043644 Energy: 0.47234349906665657 Energy: 0.5353332652022285 Energy: 0.4723434990687925 Energy: 0.5353332652043644 Energy: 0.47985710291867084 Energy: 0.49209638283109103 Energy: 0.47985710291867084 Energy: 0.49209638283237267 Energy: 0.479857102919098 Energy: 0.4920963828289551 Energy: 0.5656300070562006 Energy: 0.4733793482023175 Energy: 0.5656300070553462 Energy: 0.4733793482023175 Energy: 0.5656300070566278 Energy: 0.47337934820189026 Energy: 0.4843027067568934 Energy: 0.5379426953111557 Energy: 0.48430270675603904 Energy: 0.5379426953115828 Energy: 0.48430270675646614 Energy: 0.53794269531201 Energy: 0.4741638363199169 Energy: 0.5812768100263848 Energy: 0.47416383631948966 Energy: 0.5812768100263848 Energy: 0.47416383631948966 Energy: 0.5812768100263848 Energy: 0.5669760769402984 Energy: 0.47422886261288916 Energy: 0.5669760769411527 Energy: 0.47422886261288916 Energy: 0.5669760769402984 Energy: 0.47422886261246205 Energy: 0.4846139735662721 Energy: 0.5139395360105515 Energy: 0.4846139735662721 Energy: 0.5253871183235357 Energy: 0.484613973563709 Energy: 0.5139395360096972 Energy: 0.4711145748050834 Energy: 0.6051326763598882 Energy: 0.4711145748050834 Energy: 0.6051326763603154 Energy: 0.471114574804229 Energy: 0.6051326763598882 Energy: 0.5172079266551778 Energy: 0.5095029518628951 Energy: 0.5172079266585954 Energy: 0.5095029518633224 Energy: 0.517207926659877 Energy: 0.49775410517172963 Energy: 0.5479746273525592 Energy: 0.4728671537164219 Energy: 0.5479746273529864 Energy: 0.4728671537159947 Energy: 0.5479746273525592 Energy: 0.4728671537159947 Energy: 0.49773661194712726 Energy: 0.5541013922128616 Energy: 0.4977366119475545 Energy: 0.5541013922171334 Energy: 0.49773661194712726 Energy: 0.5541013922034633 Energy: 0.49581845933304985 Energy: 0.4910457018144834 Energy: 0.49581845933262264 Energy: 0.49104570181491064 Energy: 0.49581845933262264 Energy: 0.4910457018144834 Energy: 0.5709740986416215 Energy: 0.48139157942955474 Energy: 0.5709740986411943 Energy: 0.48139157942955474 Energy: 0.5709740986407672 Energy: 0.4813915794287003 Energy: 0.4715882975432654 Energy: 0.5218709730856976 Energy: 0.4715882975441198 Energy: 0.521870973084416 Energy: 0.4715882975419839 Energy: 0.5218709730895423 Energy: 0.46927529061374645 Energy: 0.530140025164818 Energy: 0.469275290615028 Energy: 0.5301400251643907 Energy: 0.46927529061374645 Energy: 0.530140025164818 Energy: 0.5653844204751388 Energy: 0.47423148573183277 Energy: 0.5653844204759931 Energy: 0.47423148573183277 Energy: 0.5653844204738572 Energy: 0.4742314857314056 Energy: 0.496908530802957 Energy: 0.5151915212574834 Energy: 0.4969085308021026 Energy: 0.5151915212579105 Energy: 0.49690853080252984 Energy: 0.5151915212579105 Energy: 0.4801573415284484 Energy: 0.6067208465263415 Energy: 0.4801573415288756 Energy: 0.6067208465259143 Energy: 0.4801573415280212 Energy: 0.6067208465263415 Energy: 0.5398089865777099 Energy: 0.47343015365852015 Energy: 0.5398089865781371 Energy: 0.4734301536555298 Energy: 0.539808986575574 Energy: 0.47343015365638413 Energy: 0.5427734440882533 Energy: 0.4732246559454417 Energy: 0.5427734440895349 Energy: 0.4732246559454417 Energy: 0.5427734440886804 Energy: 0.47322465594501456 Energy: 0.4727004501208192 Energy: 0.5607825975890048 Energy: 0.47270045012039197 Energy: 0.5607825975890048 Energy: 0.47270045012210077 Energy: 0.560782597589432 Energy: 0.5167634772854476 Energy: 0.49101530734915383 Energy: 0.5167634772850204 Energy: 0.49101530735000826 Energy: 0.5167634772858749 Energy: 0.49101530734958104 Energy: 0.5464754019490995 Energy: 0.4813983532388834 Energy: 0.5464754019495267 Energy: 0.4813983532388834 Energy: 0.5464754019490995 Energy: 0.48139835323845626 Energy: 0.4946364314966422 Energy: 0.5438750539048918 Energy: 0.49463643149835096 Energy: 0.5438750539019014 Energy: 0.49463643149279746 Energy: 0.5438750539036101 Energy: 0.4948537062409945 Energy: 0.5281136412260992 Energy: 0.4948537062414217 Energy: 0.5281136412265263 Energy: 0.4948537062414217 Energy: 0.5281136412260992 Energy: 0.560607294214501 Energy: 0.4796508801025553 Energy: 0.5606072942153554 Energy: 0.47965088010212803 Energy: 0.5606072942157826 Energy: 0.47965088010298246 Energy: 0.46922768992450214 Energy: 0.5485198271398084 Energy: 0.4692276899227934 Energy: 0.5485198271398084 Energy: 0.4692276899232205 Energy: 0.5485198271398084 Energy: 0.47181090510746965 Energy: 0.5312834207785305 Energy: 0.4718109051049065 Energy: 0.5312834207789577 Energy: 0.47181090510661533 Energy: 0.5312834207789577 Energy: 0.5480677675339433 Energy: 0.47338829902574797 Energy: 0.5480677675313801 Energy: 0.47338829902617513 Energy: 0.5480677675305258 Energy: 0.47338829902617513 Energy: 0.5412901701645454 Energy: 0.47100223449844025 Energy: 0.5412901701641182 Energy: 0.47100223449844025 Energy: 0.5412901701649725 Energy: 0.47100223449929457 minimum gb energy = 0.4692276899227934 eV minimum distance = 2.62037546979626 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.013662445536028247 Energy: 0.525280870614264 Energy: 0.013662445536028247 Energy: 0.5252808706153091 Energy: 0.013662445536363471 Energy: 0.5252808706149737 Energy: 0.0149511012996902 Energy: 0.20664085508403654 Energy: 0.014951101300045141 Energy: 0.20664085508819724 Energy: 0.0149511012996902 Energy: 0.20664085508610705 Energy: 0.8977013974639009 Energy: 0.20592156023476993 Energy: 0.5258343948820537 Energy: 0.20592156023615024 Energy: 0.5258347810692703 Energy: 0.20592156023650518 Energy: 0.014951101297599986 Energy: 0.20664085508715216 Energy: 0.01495110129795493 Energy: 0.20664085508855223 Energy: 0.014951101297599986 Energy: 0.20664085508715216 minimum gb energy = 0.013662445536028247 eV minimum distance = 2.84346017032656 Angstroms sigma value = 1