Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.032073378562927 cohesive_energy=3.360270999181857 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.01278711132664554 Energy: 0.2266858234165114 Energy: 0.3700130955207018 Energy: 0.22659949601717422 Energy: 0.012787111326851366 Energy: 0.22668582341591678 Energy: 0.3700130955201072 Energy: 0.2461539728421566 Energy: 0.013220219673866216 Energy: 0.12127414147861838 Energy: 0.013303318896316483 Energy: 0.24615397284233956 Energy: 0.013220219673271607 Energy: 0.12127414147903003 Energy: 0.01278711132664554 Energy: 0.22668582341692303 Energy: 0.3700130955207018 Energy: 0.22659949601738005 Energy: 0.012787111326851366 Energy: 0.22668582341632845 Energy: 0.370013095520313 Energy: 0.2461539728421566 Energy: 0.013220219673866216 Energy: 0.12127414147843543 Energy: 0.013303318896705265 Energy: 0.2461539728421566 Energy: 0.013220219672859955 Energy: 0.12127414147923586 Energy: 0.012787111326439712 Energy: 0.22668582341692303 Energy: 0.3700130955209076 Energy: 0.22659949601738005 Energy: 0.01278711132664554 Energy: 0.22668582341612262 Energy: 0.37001309552051886 Energy: 0.24615397284233956 Energy: 0.013220219673866216 Energy: 0.12127414147861838 Energy: 0.013303318896316483 Energy: 0.2461539728425454 Energy: 0.013220219673065779 Energy: 0.12127414147882422 minimum gb energy = 0.012787111326439712 eV minimum distance = 2.82563751263419 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.5705298409204428 Energy: 0.5714927087045841 Energy: 0.5879389532684307 Energy: 0.5712290293447807 Energy: 0.5705298409155254 Energy: 0.5714927087070427 Energy: 0.5879389532708447 Energy: 0.5224199906987539 Energy: 0.5570940194225096 Energy: 0.5472549806052136 Energy: 0.5538470413988198 Energy: 0.5224199906938365 Energy: 0.5570940194298857 Energy: 0.547254980610131 Energy: 0.524692773464886 Energy: 0.5315972800809855 Energy: 0.5764447790679198 Energy: 0.5302674087260115 Energy: 0.5246927734525926 Energy: 0.5315972800834441 Energy: 0.5764447790630024 Energy: 0.5638459818973833 Energy: 0.5515290474611304 Energy: 0.5904856358479172 Energy: 0.5381047742704201 Energy: 0.5638459818973833 Energy: 0.5515290474635891 Energy: 0.5904856358454587 Energy: 0.5233607927100061 Energy: 0.5150172359265305 Energy: 0.5238672082257204 Energy: 0.5424296533545182 Energy: 0.5233607927149235 Energy: 0.5150172359338618 Energy: 0.5238672082306378 Energy: 0.5329022835492367 Energy: 0.5556504458093674 Energy: 0.5343697936198301 Energy: 0.5483271335204664 Energy: 0.5329022835394019 Energy: 0.5556504458142849 Energy: 0.5343697936272063 Energy: 0.5189778580292358 Energy: 0.5431992864614458 Energy: 0.5980982953902048 Energy: 0.5736495697239966 Energy: 0.5189778580095663 Energy: 0.543199286456573 Energy: 0.5980982953926635 Energy: 0.5175646967505843 Energy: 0.5349026008930852 Energy: 0.6036639316427534 Energy: 0.5415530070962467 Energy: 0.5175646967309148 Energy: 0.5349026008955438 Energy: 0.6036639316427534 Energy: 0.5164345076047999 Energy: 0.5367103753720224 Energy: 0.5796099505750125 Energy: 0.5334248469249461 Energy: 0.516434507612176 Energy: 0.5367103753769397 Energy: 0.5796099505750125 Energy: 0.5243257974841641 Energy: 0.5612632282120505 Energy: 0.57224868820508 Energy: 0.5338193916218452 Energy: 0.5243257974817054 Energy: 0.5612632282120505 Energy: 0.5722486882001627 Energy: 0.5320632655359347 Energy: 0.5407119635650128 Energy: 0.529233895208922 Energy: 0.5522590975727757 Energy: 0.5320632655359347 Energy: 0.5407119635625541 Energy: 0.5292338952138393 Energy: 0.5463144487511147 Energy: 0.5662019255669251 Energy: 0.5477193276412563 Energy: 0.5318849430515443 Energy: 0.5463144487437386 Energy: 0.5662019255644665 Energy: 0.5477193276510911 Energy: 0.5833882645290569 Energy: 0.5485065036641863 Energy: 0.5787153639579029 Energy: 0.5486067125204634 Energy: 0.5833882645290569 Energy: 0.5485065036518928 Energy: 0.5787153639677377 Energy: 0.5250053276030389 Energy: 0.5581370536394932 Energy: 0.5582283230337406 Energy: 0.5260436390935308 Energy: 0.5250053276054976 Energy: 0.558137053649328 Energy: 0.5582283230460341 Energy: 0.5319198126546507 Energy: 0.5358274970669409 Energy: 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0.557159487383605 Energy: 0.5887487907331659 Energy: 0.5414424594347764 Energy: 0.5242230484690514 Energy: 0.5571594873983571 Energy: 0.5887487907282485 Energy: 0.5337023010614234 Energy: 0.542092120823556 Energy: 0.5793503795201103 Energy: 0.5248625122483086 Energy: 0.5337023010712134 Energy: 0.5420921208284734 Energy: 0.5793503795225691 Energy: 0.5314312958588266 Energy: 0.5408903345427846 Energy: 0.6023849132396939 Energy: 0.527696060341784 Energy: 0.531431295863744 Energy: 0.5408903345378673 Energy: 0.6023849132470699 Energy: 0.5388416215167927 Energy: 0.5265988722589261 Energy: 0.593884490293709 Energy: 0.5472144312714228 Energy: 0.5388416215315002 Energy: 0.5265988722613849 Energy: 0.593884490293709 Energy: 0.5223649133180515 Energy: 0.5280621101231873 Energy: 0.5681323797464284 Energy: 0.5617736042675467 Energy: 0.5223649133180515 Energy: 0.5280621101133526 Energy: 0.5681323797439697 Energy: 0.5259330862974604 Energy: 0.5449378811778676 Energy: 0.5802052084138087 Energy: 0.5288864447631731 Energy: 0.5259330862827529 Energy: 0.5449378811754088 Energy: 0.5802052084064327 Energy: 0.5133749367491541 Energy: 0.537970725235224 Energy: 0.6083062394593243 Energy: 0.5287772499546937 Energy: 0.5133749367393193 Energy: 0.5379707252253892 Energy: 0.6083062394593243 Energy: 0.5239160319961611 Energy: 0.5335965623578118 Energy: 0.561132181903802 Energy: 0.5310869657202186 Energy: 0.5239160319937024 Energy: 0.5335965623528944 Energy: 0.561132181903802 Energy: 0.5380385958854321 Energy: 0.5483221845204665 Energy: 0.5705956809185659 Energy: 0.5392407079813244 Energy: 0.5380385958854321 Energy: 0.5483221845180078 Energy: 0.5705956809185659 Energy: 0.5488390038911908 Energy: 0.5772938270160239 Energy: 0.5566864638819885 Energy: 0.5568677293710053 Energy: 0.5488390038788974 Energy: 0.5772938270234003 Energy: 0.5566864638746124 Energy: 0.5538633083959866 Energy: 0.5223000824181462 Energy: 0.5793802473435291 Energy: 0.5504982440786645 Energy: 0.55386330840828 Energy: 0.5223000824230637 Energy: 0.5793802473459878 Energy: 0.548120861284636 Energy: 0.5253070306016175 Energy: 0.558057791789365 Energy: 0.5421983615812173 Energy: 0.5481208612993881 Energy: 0.5253070305967001 Energy: 0.5580577917942823 Energy: 0.5751616358368723 Energy: 0.5381643909890748 Energy: 0.5638948776306361 Energy: 0.5629611843309862 Energy: 0.5751616358245788 Energy: 0.5381643909866162 Energy: 0.5638948776330948 Energy: 0.549451994598032 Energy: 0.5405909378285509 Energy: 0.5596429982240734 Energy: 0.5566354152813296 Energy: 0.5494519946029494 Energy: 0.5405909378137987 Energy: 0.5596429982289908 Energy: 0.5133918003891031 Energy: 0.5266127247802747 Energy: 0.5719865698381555 Energy: 0.543378218014763 Energy: 0.5133918003915617 Energy: 0.5266127247851922 Energy: 0.5719865698455316 Energy: 0.5237838792242036 Energy: 0.5501457840566235 Energy: 0.5997806905958711 Energy: 0.5889772908834288 Energy: 0.5237838792242036 Energy: 0.5501457840467888 Energy: 0.5997806906106233 Energy: 0.5165176980480637 Energy: 0.559816662848639 Energy: 0.5796111463856994 Energy: 0.5310626092095683 Energy: 0.5165176980529811 Energy: 0.5598166628510977 Energy: 0.5796111463930755 minimum gb energy = 0.5133749367393193 eV minimum distance = 2.57011535595914 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.5945246700819479 Energy: 0.5918668536839558 Energy: 0.5985844288560522 Energy: 0.5459679463505758 Energy: 0.5945246700825061 Energy: 0.5918668536848185 Energy: 0.5985844288540734 Energy: 0.522197140582836 Energy: 0.5671463864228928 Energy: 0.5584472159308403 Energy: 0.5316007582316655 Energy: 0.5221971405817197 Energy: 0.5671463864195437 Energy: 0.5652720720683765 Energy: 0.5193502247063427 Energy: 0.5346907513101331 Energy: 0.5629445675803434 Energy: 0.5412215211616747 Energy: 0.5193502247046682 Energy: 0.5346907513157149 Energy: 0.5719713656186011 Energy: 0.5318677418641048 Energy: 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0.5671463864212183 Energy: 0.5718294292802977 Energy: 0.5314288377923913 Energy: 0.5221971405817197 Energy: 0.5671463864181736 Energy: 0.5718294292794859 minimum gb energy = 0.5099068624181291 eV minimum distance = 2.54554667523683 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.5581435967440569 Energy: 0.53565368068628 Energy: 0.6054315030831277 Energy: 0.5354055441651233 Energy: 0.5581435967447014 Energy: 0.5356536806869245 Energy: 0.6074645638032837 Energy: 0.5583298003496121 Energy: 0.5534799539903423 Energy: 0.5887594025507723 Energy: 0.5444147205463213 Energy: 0.5583298003492899 Energy: 0.5534799539880866 Energy: 0.5887594025507723 Energy: 0.5429232504735068 Energy: 0.5450009546305346 Energy: 0.5750207842013602 Energy: 0.5386661467934125 Energy: 0.5429232504738289 Energy: 0.5450009546295678 Energy: 0.5925148859195012 Energy: 0.5398635240469493 Energy: 0.5379898977107025 Energy: 0.6108175707354716 Energy: 0.5282028736682567 Energy: 0.5398635240456602 Energy: 0.5379898977100579 Energy: 0.6108175707354716 Energy: 0.5356238773005748 Energy: 0.5295429611538065 Energy: 0.5664372213175242 Energy: 0.5365393791524722 Energy: 0.5356238772999303 Energy: 0.529542961153162 Energy: 0.5941399666170273 Energy: 0.5342744182595182 Energy: 0.5407698599078731 Energy: 0.5575511572957389 Energy: 0.5522559227819521 Energy: 0.5342744182595182 Energy: 0.5407698599078731 Energy: 0.557551157297028 Energy: 0.5375301100722406 Energy: 0.5875184550917378 Energy: 0.5990536676836408 Energy: 0.5479095317220458 Energy: 0.5375301100738519 Energy: 0.5875184550927046 Energy: 0.5628209736327338 Energy: 0.547276037137882 Energy: 0.5427972195925851 Energy: 0.6258313360764826 Energy: 0.5267369835169867 Energy: 0.547276037136593 Energy: 0.5427972195922629 Energy: 0.6258313360777716 Energy: 0.5459297990769785 Energy: 0.5202327107586056 Energy: 0.5894841891795731 Energy: 0.523430859030685 Energy: 0.5459297990769785 Energy: 0.5202327107576388 Energy: 0.5894841891795731 Energy: 0.546424546127232 Energy: 0.538359365421034 Energy: 0.5760313001287745 Energy: 0.5286263170656992 Energy: 0.5464245461281988 Energy: 0.538359365421034 Energy: 0.57603130012813 Energy: 0.5679586026635446 Energy: 0.5596826433737743 Energy: 0.5701823434917004 Energy: 0.5295960632228309 Energy: 0.5679586026638669 Energy: 0.5596826433731297 Energy: 0.5701823434907336 Energy: 0.5622153156989218 Energy: 0.5413864951064058 Energy: 0.5935155115136823 Energy: 0.5773888475651802 Energy: 0.5622153156992441 Energy: 0.5413864951064058 Energy: 0.5935155115140046 Energy: 0.5403417555935079 Energy: 0.5541902645690653 Energy: 0.5865426799254219 Energy: 0.5320017769735172 Energy: 0.5403417555922189 Energy: 0.5541902645690653 Energy: 0.586542679924455 Energy: 0.5484449965900018 Energy: 0.533041368261477 Energy: 0.5849195137165902 Energy: 0.5374306025185902 Energy: 0.548444996589035 Energy: 0.5330413682611547 Energy: 0.5849195137143344 Energy: 0.5455874684197314 Energy: 0.5274669908172052 Energy: 0.5984105181655344 Energy: 0.5419678596583654 Energy: 0.5455874684213426 Energy: 0.5274669908162383 Energy: 0.5984105181665011 Energy: 0.5722734593386078 Energy: 0.5536841953387331 Energy: 0.5935487171618065 Energy: 0.5443273511288537 Energy: 0.5722734593408636 Energy: 0.5536841953387331 Energy: 0.5935487171595505 Energy: 0.5495934172910334 Energy: 0.5356695829631262 Energy: 0.572241266865965 Energy: 0.540865388079115 Energy: 0.5495934172897443 Energy: 0.5356695829644152 Energy: 0.5722412668653205 Energy: 0.5415611040842001 Energy: 0.5370815425533703 Energy: 0.616801528998993 Energy: 0.5416998084316048 Energy: 0.5415611040829111 Energy: 0.5370815425536926 Energy: 0.6168015289983484 Energy: 0.5361438051171643 Energy: 0.5296391192911342 Energy: 0.5849763916750793 Energy: 0.53428644245553 Energy: 0.5361438051178089 Energy: 0.5296391192914564 Energy: 0.5849763916763684 Energy: 0.5398086338964811 Energy: 0.524105732442449 Energy: 0.6090599153846505 Energy: 0.5419449643607961 Energy: 0.5398086338968034 Energy: 0.5241057324437379 Energy: 0.6090599153878731 Energy: 0.5322277111658924 Energy: 0.5426834688212262 Energy: 0.6070307642681981 Energy: 0.555982720620848 Energy: 0.5322277111671814 Energy: 0.5426834688212262 Energy: 0.6070307642678758 Energy: 0.5417999812468753 Energy: 0.56300814577978 Energy: 0.5924757372911161 Energy: 0.5245276489737978 Energy: 0.5417999812475198 Energy: 0.5630081457794578 Energy: 0.592475737288538 Energy: 0.535804378728369 Energy: 0.5281352477996795 Energy: 0.6105730434415692 Energy: 0.5280415118816537 Energy: 0.5358043787248241 Energy: 0.5281352477983904 Energy: 0.6105730434418916 Energy: 0.5418781473500143 Energy: 0.5468874934663395 Energy: 0.6163693891441907 Energy: 0.5332305959508176 Energy: 0.541878147348403 Energy: 0.5468874934663395 Energy: 0.6163693891429016 Energy: 0.5513405334131315 Energy: 0.5253047757453717 Energy: 0.5677439196600319 Energy: 0.5368810494537065 Energy: 0.5513405334124871 Energy: 0.5253047757444049 Energy: 0.5677439196603542 Energy: 0.5678384118783139 Energy: 0.5451197760300165 Energy: 0.5758083862105178 Energy: 0.5474898394681974 Energy: 0.5678384118802474 Energy: 0.5451197760280829 Energy: 0.575808386208262 Energy: 0.5707996889056305 Energy: 0.5351979623393335 Energy: 0.5969806633286612 Energy: 0.5397364978139172 Energy: 0.5707996889075642 Energy: 0.535197962338689 Energy: 0.5720155793955486 Energy: 0.5504043619019026 Energy: 0.5539656131392349 Energy: 0.5725942647502238 Energy: 0.5481113660013995 Energy: 0.5504043619022249 Energy: 0.5539656131395571 Energy: 0.5725942647489347 Energy: 0.5354403920761518 Energy: 0.5408328136487283 Energy: 0.5831657186218411 Energy: 0.5259138682262264 Energy: 0.5354403920771186 Energy: 0.540832813650984 Energy: 0.5831657186221634 Energy: 0.5362481133323813 Energy: 0.5312242222608677 Energy: 0.5993331869490094 Energy: 0.543604464912583 Energy: 0.5362481133320591 Energy: 0.5312242222624791 Energy: 0.5993331869496539 Energy: 0.5340639081632014 Energy: 0.5301906677306383 Energy: 0.5624655059207028 Energy: 0.5295707915224476 Energy: 0.5340639081625569 Energy: 0.5301906677283824 Energy: 0.5830091040628878 Energy: 0.5398060688659764 Energy: 0.5235576418844964 Energy: 0.569416269557358 Energy: 0.5466731426863413 Energy: 0.5398060688679099 Energy: 0.5235576418864301 Energy: 0.5694162695580025 Energy: 0.5405930785708959 Energy: 0.5328389371665071 Energy: 0.5789881568965622 Energy: 0.5509514609835338 Energy: 0.5405930785708959 Energy: 0.5328389371668294 Energy: 0.5557156076043905 Energy: 0.540813744982479 Energy: 0.5425793232046688 Energy: 0.6363652259328241 Energy: 0.5383016285616171 Energy: 0.5408137449821567 Energy: 0.5425793232037022 Energy: 0.6363652259321796 Energy: 0.542807592010183 Energy: 0.5306584345791696 Energy: 0.6089915685003363 Energy: 0.5428280766378891 Energy: 0.5428075920095385 Energy: 0.5306584345788473 Energy: 0.5865568236231534 Energy: 0.5473029002683044 Energy: 0.5414433069591885 Energy: 0.5831812033370622 Energy: 0.5287389607423121 Energy: 0.5473029002686266 Energy: 0.541443306959833 Energy: 0.583181203338029 minimum gb energy = 0.5202327107576388 eV minimum distance = 2.57063876466411 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5250586396485688 Energy: 0.5181200424479924 Energy: 0.5916001183282781 Energy: 0.5183858332735234 Energy: 0.5250586396478427 Energy: 0.518120042448753 Energy: 0.6093266895872923 Energy: 0.5075538279885718 Energy: 0.5249034708562785 Energy: 0.5025120913999279 Energy: 0.5249106665282046 Energy: 0.5075538279912342 Energy: 0.5249034708562785 Energy: 0.5025120913942229 Energy: 0.5248804546597656 Energy: 0.49287465674594805 Energy: 0.5481420964615108 Energy: 0.5027727075227131 Energy: 0.5248804546609066 Energy: 0.49287465674518743 Energy: 0.5643957490927255 Energy: 0.5294849697928365 Energy: 0.5249515162470405 Energy: 0.5033219833795806 Energy: 0.5591906763828329 Energy: 0.5294849697928365 Energy: 0.5249515162474209 Energy: 0.5033219833814823 Energy: 0.5554732248668446 Energy: 0.5023075457812831 Energy: 0.5002275321885317 Energy: 0.5029619169480937 Energy: 0.5554732248676053 Energy: 0.5023075457846715 Energy: 0.5297322017029393 Energy: 0.5295881655698189 Energy: 0.5107210647762326 Energy: 0.6060320202623206 Energy: 0.5101044428973684 Energy: 0.5295881655698189 Energy: 0.5107210647754719 Energy: 0.6060320202661239 Energy: 0.5842585944978886 Energy: 0.5614288420075666 Energy: 0.5372943793951702 Energy: 0.5029977547271561 Energy: 0.5842585944990297 Energy: 0.5614288420003404 Energy: 0.5372943793985931 Energy: 0.5306505788925288 Energy: 0.5082253199304262 Energy: 0.561688181462301 Energy: 0.5081871428770459 Energy: 0.5306505788917681 Energy: 0.5082253199338491 Energy: 0.561688181463442 Energy: 0.5852170390772572 Energy: 0.5028519717265139 Energy: 0.5371682795654887 Energy: 0.561146526232072 Energy: 0.5852170390795391 Energy: 0.5028519717299369 Energy: 0.5448813309610541 Energy: 0.5294751992413962 Energy: 0.5100629098416568 Energy: 0.5799382568392458 Energy: 0.5107035001984065 Energy: 0.5294751992421569 Energy: 0.5100629098427978 Energy: 0.5799382568373441 Energy: 0.5555708867771716 Energy: 0.5031043379086714 Energy: 0.5003175792759802 Energy: 0.5025416742804257 Energy: 0.5555708867760306 Energy: 0.5031043379128549 Energy: 0.6085497109541945 Energy: 0.5294816245989479 Energy: 0.5591130277070817 Energy: 0.5033523354263693 Energy: 0.5248259518252064 Energy: 0.5294816245947642 Energy: 0.5591130277135473 Energy: 0.5033523354294118 Energy: 0.5248071544188313 Energy: 0.502784206301889 Energy: 0.5524119295469241 Energy: 0.4928159899666572 Energy: 0.5248071544176903 Energy: 0.502784206295043 Energy: 0.5370844522779239 Energy: 0.5075555064750238 Energy: 0.5249240894228124 Energy: 0.5027784594265191 Energy: 0.5248251180741796 Energy: 0.507555506478827 Energy: 0.5249240894239534 Energy: 0.5027784594276602 Energy: 0.5250586396485688 Energy: 0.5181200424502743 Energy: 0.5916001183297994 Energy: 0.5183858332758053 Energy: 0.5250586396478427 Energy: 0.5181200424495137 Energy: 0.5916001183320815 Energy: 0.5075538279878457 Energy: 0.5249034708555179 Energy: 0.5025120913995477 Energy: 0.524910666528585 Energy: 0.5075538279916145 Energy: 0.5249034708551376 Energy: 0.5025120913946033 Energy: 0.5248804546605262 Energy: 0.49287465674746944 Energy: 0.5481420964611304 Energy: 0.5027727075219525 Energy: 0.5248804546616673 Energy: 0.49287465674594805 Energy: 0.5643957490923451 Energy: 0.5294849697932168 Energy: 0.5249515162466601 Energy: 0.5033219833803413 Energy: 0.5591906763835935 Energy: 0.5294849697935972 Energy: 0.5249515162466601 Energy: 0.503321983383384 Energy: 0.5554732248657036 Energy: 0.5023075457831848 Energy: 0.5002275321881513 Energy: 0.5029619169488544 Energy: 0.555473224867225 Energy: 0.5023075457839454 Energy: 0.5172208578287204 Energy: 0.5295881655698189 Energy: 0.5107210647747111 Energy: 0.6060320202630812 Energy: 0.5101044428962274 Energy: 0.5295881655694386 Energy: 0.5107210647750915 Energy: 0.6060320202672649 Energy: 0.5842585944997905 Energy: 0.5614288420075666 Energy: 0.5583469930325187 Energy: 0.5029977547263955 Energy: 0.5842585944997905 Energy: 0.5614288420003404 Energy: 0.5372943793989734 Energy: 0.5306505788921485 Energy: 0.5082253199285246 Energy: 0.5616881814607796 Energy: 0.5081871428766657 Energy: 0.5306505788910075 Energy: 0.5082253199330885 Energy: 0.5616881814626813 Energy: 0.5852170390776376 Energy: 0.5028519717268941 Energy: 0.5371682795643478 Energy: 0.5611465262316917 Energy: 0.5852170390802998 Energy: 0.5028519717303171 Energy: 0.5571649064528736 Energy: 0.5294751992410158 Energy: 0.510062909840896 Energy: 0.5799382568400064 Energy: 0.5107035001987869 Energy: 0.5294751992429175 Energy: 0.5100629098424174 Energy: 0.5799382568381048 Energy: 0.5555708867775173 Energy: 0.5031043379090517 Energy: 0.5003175792740785 Energy: 0.5025416742819471 Energy: 0.5555708867771716 Energy: 0.5031043379132353 Energy: 0.6085497109526733 Energy: 0.5294816245974265 Energy: 0.5591130277078423 Energy: 0.5033523354290316 Energy: 0.5248259518244458 Energy: 0.5294816245940036 Energy: 0.5591130277139276 Energy: 0.5033523354316939 Energy: 0.5248071544169296 Energy: 0.5027842063015087 Energy: 0.5524119295484453 Energy: 0.49281598996817855 Energy: 0.5248071544173099 Energy: 0.5027842062958036 Energy: 0.552411929549206 Energy: 0.5075555064765451 Energy: 0.5249240894231928 Energy: 0.5027784594272798 Energy: 0.524825118075701 Energy: 0.5075555064792073 Energy: 0.5249240894239534 Energy: 0.5027784594288012 Energy: 0.5250586396489492 Energy: 0.5181200424491333 Energy: 0.5916001183282781 Energy: 0.5183858332739038 Energy: 0.5250586396478427 Energy: 0.5181200424483727 Energy: 0.5943242253785982 Energy: 0.5075538279885718 Energy: 0.5249034708562785 Energy: 0.5025120913999279 Energy: 0.5249106665282046 Energy: 0.5075538279912342 Energy: 0.5249034708562785 Energy: 0.5025120913942229 minimum gb energy = 0.4928159899666572 eV minimum distance = 2.61659692136787 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.5107032927588165 Energy: 0.5670065413387956 Energy: 0.555899278305813 Energy: 0.5670213027739371 Energy: 0.5107032927592783 Energy: 0.5670065413374104 Energy: 0.5558992783067364 Energy: 0.5284944877615013 Energy: 0.49711352412884496 Energy: 0.5490607840151257 Energy: 0.4988725189336653 Energy: 0.5284944877624247 Energy: 0.49711352412884496 Energy: 0.5490607840142022 Energy: 0.5103854055663114 Energy: 0.5301193025591651 Energy: 0.5248473776251971 Energy: 0.51658071228286 Energy: 0.5103854055686199 Energy: 0.5301193025587034 Energy: 0.5248473776275056 Energy: 0.5222660973094496 Energy: 0.5091744089374474 Energy: 0.5830314902163 Energy: 0.5055106363514262 Energy: 0.5222660973076028 Energy: 0.5091744089379091 Energy: 0.5830314902163 Energy: 0.49708245823584046 Energy: 0.5336022962750284 Energy: 0.5149588074801505 Energy: 0.5151078256175383 Energy: 0.4970824582372255 Energy: 0.5336022962713558 Energy: 0.5149588074819973 Energy: 0.5225372738667455 Energy: 0.5096561330951619 Energy: 0.5236213106995906 Energy: 0.5123352373373821 Energy: 0.5225372738681306 Energy: 0.5096561330919299 Energy: 0.5236213107014375 Energy: 0.5147568520685968 Energy: 0.5335221435097293 Energy: 0.558422623695017 Energy: 0.5011760656046106 Energy: 0.5147568520672118 Energy: 0.5335221435083441 Energy: 0.5584226236940936 Energy: 0.5156249510770772 Energy: 0.499803629916671 Energy: 0.5234779362630894 Energy: 0.5121275081498742 Energy: 0.5156249510766154 Energy: 0.4998036299148242 Energy: 0.5234779362640127 Energy: 0.515136940042299 Energy: 0.5103071220252656 Energy: 0.5471667185349499 Energy: 0.5205331921038497 Energy: 0.5151369400418373 Energy: 0.5103071220266509 Energy: 0.5471667185331031 Energy: 0.5117670188269859 Energy: 0.5203032333330827 Energy: 0.541628508239847 Energy: 0.5112011484422636 Energy: 0.5117670188233133 Energy: 0.5203032333307742 Energy: 0.5416285082384619 Energy: 0.5203550375180421 Energy: 0.5278729156856371 Energy: 0.548259829722022 Energy: 0.5072023741321814 Energy: 0.5203550375189656 Energy: 0.5278729156851755 Energy: 0.5482598297229454 Energy: 0.48531930986864097 Energy: 0.5160634662246086 Energy: 0.5236128778871668 Energy: 0.4946938794351798 Energy: 0.4853193098695644 Energy: 0.5160634662246086 Energy: 0.5236128778867051 Energy: 0.5451014309925616 Energy: 0.5174779691776831 Energy: 0.5340568612844346 Energy: 0.5084758996713524 Energy: 0.5451014309897912 Energy: 0.517477969176298 Energy: 0.5340568612862814 Energy: 0.48701871914779865 Energy: 0.5163928459982385 Energy: 0.5207152354556949 Energy: 0.495432847590642 Energy: 0.4870187191501072 Energy: 0.5163928459996237 Energy: 0.5207152354547714 Energy: 0.5128493904977912 Energy: 0.5095359855797482 Energy: 0.5525678175459916 Energy: 0.504910789738804 Energy: 0.5128493904964062 Energy: 0.5095359855797482 Energy: 0.55256781754553 Energy: 0.4874467800150554 Energy: 0.5297450621669031 Energy: 0.5424712589360299 Energy: 0.5315690222566338 Energy: 0.48744678001828734 Energy: 0.5297450621664413 Energy: 0.542471258937415 Energy: 0.5387462677715198 Energy: 0.5090867373414613 Energy: 0.5404682589228692 Energy: 0.5050157295266021 Energy: 0.5387462677692112 Energy: 0.5090867373405378 Energy: 0.5404682589256394 Energy: 0.4875207556923696 Energy: 0.5048543340109145 Energy: 0.5158071092383957 Energy: 0.5324603262204658 Energy: 0.4875207556909845 Energy: 0.504854334009991 Energy: 0.5158071092411659 Energy: 0.5109970748523395 Energy: 0.5090056634791472 Energy: 0.5371634946330651 Energy: 0.5051752481917346 Energy: 0.5109970748491076 Energy: 0.5090056634777621 Energy: 0.537163494634912 Energy: 0.48603918922342637 Energy: 0.5187366871019663 Energy: 0.5074149034458378 Energy: 0.5187454425697524 Energy: 0.4860391892211179 Energy: 0.5187366871015046 Energy: 0.5074149034453761 Energy: 0.5110118803755342 Energy: 0.5051450012274067 Energy: 0.5374683280547528 Energy: 0.5089939107498179 Energy: 0.5110118803741491 Energy: 0.5051450012260216 Energy: 0.537468328057523 Energy: 0.4875255758511989 Energy: 0.5327314628847631 Energy: 0.5160454751724912 Energy: 0.5046061746485853 Energy: 0.4875255758511989 Energy: 0.5327314628861484 Energy: 0.5160454751747998 Energy: 0.5385719792820808 Energy: 0.5051300180478284 Energy: 0.5406523622564499 Energy: 0.5090789931062946 Energy: 0.5385719792811574 Energy: 0.5051300180464433 Energy: 0.5406523622601435 Energy: 0.4874348930255723 Energy: 0.5311883511250899 Energy: 0.5424065160023206 Energy: 0.5295327088876172 Energy: 0.48743489302788084 Energy: 0.5311883511237047 Energy: 0.5424065160046292 Energy: 0.5128163177696372 Energy: 0.5049512912080429 Energy: 0.5556686112079655 Energy: 0.5095265729299117 Energy: 0.5128163177700988 Energy: 0.5049512912080429 Energy: 0.5556686112079655 minimum gb energy = 0.48531930986864097 eV minimum distance = 2.56987713711164 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.5647719043098887 Energy: 0.5652726404861388 Energy: 0.5740593738502957 Energy: 0.5652504151723676 Energy: 0.5647719043045009 Energy: 0.5652726404799544 Energy: 0.5848163392971815 Energy: 0.5599165192334843 Energy: 0.5310236013489563 Energy: 0.587710799968119 Energy: 0.5308123782619895 Energy: 0.5599165192345151 Energy: 0.531023601338415 Energy: 0.5877107999585615 Energy: 0.5493026151332874 Energy: 0.5388832836240031 Energy: 0.5570119221277693 Energy: 0.5314704702433651 Energy: 0.5493026151278996 Energy: 0.5388832836286411 Energy: 0.5432220390785163 Energy: 0.5035914927498463 Energy: 0.5427395313008389 Energy: 0.6157334736466754 Energy: 0.5286036677508844 Energy: 0.5035914927395392 Energy: 0.5427395312861278 Energy: 0.6157334736459257 Energy: 0.5702580846961675 Energy: 0.5018666936787073 Energy: 0.5269975151902396 Energy: 0.515792707125912 Energy: 0.5702580846961675 Energy: 0.5018666936771613 Energy: 0.526997515187897 Energy: 0.5044952778435813 Energy: 0.5088280651532757 Energy: 0.5686820895083577 Energy: 0.5023919442280976 Energy: 0.5044952778427848 Energy: 0.5088280651406262 Energy: 0.5686820895284567 Energy: 0.5244628457421321 Energy: 0.5018062374283648 Energy: 0.5563561819099823 Energy: 0.520230929421846 Energy: 0.5244628457560466 Energy: 0.5018062374232113 Energy: 0.5563561819122779 Energy: 0.5074070377382631 Energy: 0.5002187540084739 Energy: 0.5616163334443983 Energy: 0.4994232520171012 Energy: 0.5074070377462745 Energy: 0.5002187540097857 Energy: 0.561616333443883 Energy: 0.5241950575837256 Energy: 0.5054826905986063 Energy: 0.5808541686700571 Energy: 0.510787870802868 Energy: 0.5241950575852717 Energy: 0.5054826905869874 Energy: 0.5953792178945698 Energy: 0.4950784304457704 Energy: 0.4991137285676626 Energy: 0.5857951697590219 Energy: 0.4947094847372039 Energy: 0.49507843043443256 Energy: 0.4991137285676626 Energy: 0.5857951697507762 Energy: 0.5237466703068714 Energy: 0.5168912478458434 Energy: 0.5796074697554833 Energy: 0.5108998073081347 Energy: 0.5237466703040135 Energy: 0.5168912478396592 Energy: 0.579607469756748 Energy: 0.4953800272972717 Energy: 0.5072799207076113 Energy: 0.6069382038578317 Energy: 0.5227418968771799 Energy: 0.4953800273067823 Energy: 0.5072799207107034 Energy: 0.6069382038619545 Energy: 0.545330298250915 Energy: 0.5121133889313955 Energy: 0.5835337989358831 Energy: 0.510032245307791 Energy: 0.5453302982395771 Energy: 0.5121133889363148 Energy: 0.5708906615425968 Energy: 0.5289176207735107 Energy: 0.5261944099858338 Energy: 0.6439256481824254 Energy: 0.522095588275066 Energy: 0.5289176207796951 Energy: 0.5261944099963751 Energy: 0.6439256481798487 Energy: 0.5460046905828656 Energy: 0.5280893588802787 Energy: 0.6341677117936445 Energy: 0.5405218063099693 Energy: 0.5460046905771968 Energy: 0.5280893588813094 Energy: 0.6210715073692933 Energy: 0.5291917799746887 Energy: 0.5068620180427919 Energy: 0.6168403779347926 Energy: 0.5225580448534426 Energy: 0.5291917799841993 Energy: 0.5068620180410116 Energy: 0.6168403779399462 Energy: 0.5515507094093682 Energy: 0.5124360306592263 Energy: 0.6300747643203507 Energy: 0.5071861439701587 Energy: 0.5515507094109143 Energy: 0.5124360306664412 Energy: 0.6173558053960781 Energy: 0.49466782866528036 Energy: 0.5041421955572725 Energy: 0.6229241302728541 Energy: 0.5084316271353786 Energy: 0.4946678286498197 Energy: 0.5041421955495421 Energy: 0.6229241302715423 Energy: 0.5514988662495636 Energy: 0.530726321598466 Energy: 0.5921144312752549 Energy: 0.5203241245211737 Energy: 0.5514988662438947 Energy: 0.530726321611584 Energy: 0.5793776815507824 Energy: 0.4990682579298867 Energy: 0.5131987563066559 Energy: 0.6074556737826967 Energy: 0.4941227649768298 Energy: 0.49906825793119847 Energy: 0.513198756308483 Energy: 0.6074556737814316 Energy: 0.5233570411407584 Energy: 0.5052567321573054 Energy: 0.5512218415647884 Energy: 0.5434671693342664 Energy: 0.5233570411409927 Energy: 0.5052567321647546 Energy: 0.5512218415761262 Energy: 0.4988535657524435 Energy: 0.4980155173599291 Energy: 0.6092140581361807 Energy: 0.5018854213595157 Energy: 0.49885356575450496 Energy: 0.49801551735683697 Energy: 0.6092140581336041 Energy: 0.5260632553456064 Energy: 0.49915216244581995 Energy: 0.5805402357188342 Energy: 0.5367315747354615 Energy: 0.5260632553360958 Energy: 0.4991521624509735 Energy: 0.5680095138314757 Energy: 0.5274524503830926 Energy: 0.5131743559746216 Energy: 0.6011601045039358 Energy: 0.49888729208501104 Energy: 0.5274524503903075 Energy: 0.5131743559689527 Energy: 0.6011601045104011 Energy: 0.5237940066767225 Energy: 0.5292971953931676 Energy: 0.5815385073921538 Energy: 0.5446271780049504 Energy: 0.5237940066803299 Energy: 0.5292971953903096 Energy: 0.5815385073911231 Energy: 0.5219165518411155 Energy: 0.5361024713296227 Energy: 0.5829558629082063 Energy: 0.5168508006302092 Energy: 0.5219165518498298 Energy: 0.5361024713229231 Energy: 0.5829558629056295 Energy: 0.5761457953430822 Energy: 0.5285276187853474 Energy: 0.5968825596932874 Energy: 0.5460557045352498 Energy: 0.5761457953464086 Energy: 0.5285276187979502 Energy: 0.5968825596961453 Energy: 0.5133544646565801 Energy: 0.5482707665978259 Energy: 0.5819038755220918 Energy: 0.5622907377265021 Energy: 0.5133544646568143 Energy: 0.5482707666006836 Energy: 0.5819038755102385 Energy: 0.5762651307983312 Energy: 0.5222852834854631 Energy: 0.5909139523016741 Energy: 0.5463531494651801 Energy: 0.5762651307980502 Energy: 0.5222852834903825 Energy: 0.5909139523088421 Energy: 0.5139036401756585 Energy: 0.520769853514679 Energy: 0.5772134233127023 Energy: 0.5378993144496468 Energy: 0.5139036401720509 Energy: 0.5207698535115869 Energy: 0.5772134233216976 Energy: 0.51888758908179 Energy: 0.5228918349845396 Energy: 0.590219152831366 Energy: 0.5626902203110673 Energy: 0.5188875890825865 Energy: 0.5228918349780742 Energy: 0.5902191528323967 Energy: 0.5248722001011694 Energy: 0.49687064449706125 Energy: 0.5636007292339211 Energy: 0.5122673170983221 Energy: 0.5248722000947039 Energy: 0.4968706444883002 Energy: 0.5636007292449777 Energy: 0.5139416482694014 Energy: 0.5036391404784103 Energy: 0.6141321382170578 Energy: 0.5420975472134971 Energy: 0.5139416482704321 Energy: 0.5036391404809871 Energy: 0.6141321382005662 Energy: 0.4998068171274899 Energy: 0.4968367717763144 Energy: 0.5315636244056768 Energy: 0.5115533461628818 Energy: 0.499806817121821 Energy: 0.49683677177139507 Energy: 0.5315636244012728 Energy: 0.5018251055328175 Energy: 0.48700468226886007 Energy: 0.5703545010475197 Energy: 0.5372592134414278 Energy: 0.5018251055330987 Energy: 0.48700468227171795 Energy: 0.5703545010485505 Energy: 0.5000116322790841 Energy: 0.49989432203781586 Energy: 0.5593095741431632 Energy: 0.5003194209827175 Energy: 0.5000116322674651 Energy: 0.49989432204451556 Energy: 0.5593095741439127 Energy: 0.49992023711398087 Energy: 0.49194683297781444 Energy: 0.5478773006973828 Energy: 0.5466254866775491 Energy: 0.4999202371093427 Energy: 0.49194683297163017 Energy: 0.547877300687591 Energy: 0.5106618637122821 Energy: 0.4982494587570202 Energy: 0.5706699440933847 Energy: 0.500297930789023 Energy: 0.510661863713547 Energy: 0.49824945875931587 Energy: 0.5706699440964768 Energy: 0.49999885529105453 Energy: 0.523536897635978 Energy: 0.5909413649546407 Energy: 0.541871848610884 Energy: 0.49999885529105453 Energy: 0.5235368976331202 Energy: 0.5909413649455985 Energy: 0.5086087245870373 Energy: 0.5261184826292082 Energy: 0.5746980581328117 Energy: 0.5246898072674769 Energy: 0.5086087245973444 Energy: 0.5261184826310353 Energy: 0.5746980581320154 Energy: 0.5532758706581277 Energy: 0.5256402810892732 Energy: 0.6640541689670406 Energy: 0.5420445635796668 Energy: 0.5532758706563473 Energy: 0.525640281081824 Energy: 0.6640541689755206 Energy: 0.5104944737502654 Energy: 0.5431006014523064 Energy: 0.6025391994959776 Energy: 0.5479387394365773 Energy: 0.5104944737500311 Energy: 0.5431006014638784 Energy: 0.602539199488013 Energy: 0.5380287509566887 Energy: 0.5256113104057488 Energy: 0.644981406115083 Energy: 0.5481158313428255 Energy: 0.538028750961608 Energy: 0.5256113104036875 Energy: 0.6449814061238441 Energy: 0.5145854596681888 Energy: 0.5155938627657205 Energy: 0.6038847317979148 Energy: 0.5283209123907463 Energy: 0.5145854596648156 Energy: 0.5155938627719048 Energy: 0.6038847318056452 Energy: 0.4949480147411698 Energy: 0.5250658447245437 Energy: 0.6014856886051134 Energy: 0.5497788096346056 Energy: 0.4949480147406545 Energy: 0.5250658447204207 Energy: 0.6014856885894185 minimum gb energy = 0.48700468226886007 eV minimum distance = 2.55325531489369 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.48195388970954806 Energy: 0.4835623603387673 Energy: 0.5696854719952608 Energy: 0.4835623603376054 Energy: 0.4819538897055076 Energy: 0.48356236033818634 Energy: 0.6306206220596581 Energy: 0.4819538897043457 Energy: 0.4835623603364434 Energy: 0.5938523063784876 Energy: 0.4835623603364434 Energy: 0.48195388970725056 Energy: 0.4835623603410912 Energy: 0.4738179464195531 Energy: 0.4819538897049267 Energy: 0.4835623603405102 Energy: 0.5776744831373661 Energy: 0.48356236034167216 Energy: 0.48195388970725056 Energy: 0.4835623603376054 Energy: 0.48611228457146644 Energy: 0.4819538897084125 Energy: 0.4835623603376054 Energy: 0.5588645955389782 Energy: 0.4835623603376054 Energy: 0.48195388970376474 Energy: 0.4835623603376054 Energy: 0.6065619778977883 Energy: 0.4819538897043457 Energy: 0.4835623603376054 Energy: 0.598628615790247 Energy: 0.4835623603376054 Energy: 0.48195388970725056 Energy: 0.4835623603410912 Energy: 0.5336599147922245 Energy: 0.4819538897043457 Energy: 0.4835623603399292 Energy: 0.6911804532605931 Energy: 0.4835623603410912 Energy: 0.4819538897066696 Energy: 0.4835623603364434 Energy: 0.6245223856299371 Energy: 0.48195388970954806 Energy: 0.4835623603387673 Energy: 0.5585129357651956 Energy: 0.4835623603376054 Energy: 0.4819538897055076 Energy: 0.48356236033818634 Energy: 0.5778424359486513 Energy: 0.4819538897031838 Energy: 0.4835623603364434 Energy: 0.5714261764062646 Energy: 0.4835623603364434 Energy: 0.4819538897066696 Energy: 0.4835623603405102 Energy: 0.45622782852792526 Energy: 0.4819538897055076 Energy: 0.4835623603399292 Energy: 0.5524608887432789 Energy: 0.48356236034167216 Energy: 0.48195388970725056 Energy: 0.48356236033702443 Energy: 0.5524608591201684 Energy: 0.4819538897084125 Energy: 0.4835623603376054 Energy: 0.45622779939029146 Energy: 0.4835623603376054 Energy: 0.48195388970376474 Energy: 0.4835623603376054 Energy: 0.45622781411824037 Energy: 0.4819538897060886 Energy: 0.48356236033702443 Energy: 0.5946800490848134 Energy: 0.4835623603376054 Energy: 0.48195388970725056 Energy: 0.48356236034167216 Energy: 0.6244120413992672 Energy: 0.4819538897043457 Energy: 0.4835623603399292 Energy: 0.6244120413998483 Energy: 0.4835623603410912 Energy: 0.4819538897060886 Energy: 0.4835623603364434 Energy: 0.4558786300817509 Energy: 0.4819538897089671 Energy: 0.4835623603387673 Energy: 0.6244120413998483 Energy: 0.4835623603376054 Energy: 0.4819538897043457 Energy: 0.4835623603376054 Energy: 0.624412041401591 Energy: 0.4819538897049267 Energy: 0.4835623603364434 Energy: 0.6244120413992672 Energy: 0.48356236033702443 Energy: 0.4819538897066696 Energy: 0.4835623603410912 Energy: 0.6244120413986862 Energy: 0.4819538897055076 Energy: 0.4835623603405102 Energy: 0.6244120413998483 Energy: 0.4835623603410912 Energy: 0.48195388970725056 Energy: 0.4835623603376054 Energy: 0.6244120414010101 Energy: 0.4819538897084125 Energy: 0.48356236033818634 Energy: 0.6244120413986862 Energy: 0.48356236033818634 Energy: 0.4819538897031838 Energy: 0.4835623603376054 Energy: 0.6244120414004292 Energy: 0.4819538897049267 Energy: 0.48356236033702443 Energy: 0.624412041401591 Energy: 0.4835623603376054 Energy: 0.48195388970783154 Energy: 0.48356236034167216 Energy: 0.6244120413986862 Energy: 0.48195388970376474 Energy: 0.4835623603405102 Energy: 0.6244120413986862 Energy: 0.4835623603410912 Energy: 0.4819538897055076 Energy: 0.4835623603364434 Energy: 0.624412041402172 Energy: 0.4819538897089671 Energy: 0.4835623603387673 Energy: 0.6244120414010101 Energy: 0.4835623603376054 Energy: 0.4819538897049267 Energy: 0.48356236033818634 Energy: 0.6244120414010101 Energy: 0.48195388970376474 Energy: 0.4835623603364434 Energy: 0.6244120414004292 Energy: 0.4835623603364434 Energy: 0.4819538897066696 Energy: 0.4835623603410912 Energy: 0.6244120413986862 minimum gb energy = 0.4558786300817509 eV minimum distance = 2.64366303068776 Angstroms sigma value = 23