Model name: model_name=EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_005 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=4.050004702806472 cohesive_energy=3.360264241210405 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: 1.04222210722815e-10 eV ======================================== theta = 0.0 ======================================== Energy: 0.012673492136000494 Energy: 0.232332840743108 Energy: 0.16473250133738357 Energy: 0.23232966977936892 Energy: 0.012673492136385842 Energy: 0.2323328407443094 Energy: 0.16473250133679418 Energy: 0.2745355168398917 Energy: 0.013095060590816967 Energy: 0.11044716218435573 Energy: 0.013014475615622165 Energy: 0.2745355168398917 Energy: 0.013095060590408953 Energy: 0.11044716218675849 Energy: 0.012673492136000494 Energy: 0.2323328407434934 Energy: 0.16473250133738357 Energy: 0.23232966977936892 Energy: 0.012673492136385842 Energy: 0.2323328407443094 Energy: 0.16473250133717957 Energy: 0.2745355168398917 Energy: 0.013095060590816967 Energy: 0.11044716218435573 Energy: 0.013014475616030181 Energy: 0.2745355168396877 Energy: 0.013095060590408953 Energy: 0.11044716218675849 Energy: 0.012673492136000494 Energy: 0.232332840743108 Energy: 0.16473250133717957 Energy: 0.23232966977957292 Energy: 0.012673492136385842 Energy: 0.23233284074410537 Energy: 0.16473250133717957 Energy: 0.2745355168396877 Energy: 0.013095060591020976 Energy: 0.11044716218455973 Energy: 0.013014475615622165 Energy: 0.2745355168398917 Energy: 0.013095060590227612 Energy: 0.11044716218675849 minimum gb energy = 0.012673492136000494 eV minimum distance = 2.83559193303966 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.5918282160661619 Energy: 0.606874228248223 Energy: 0.6265967546580155 Energy: 0.6069952390864946 Energy: 0.5918282160685988 Energy: 0.6068742282360381 Energy: 0.6265967546507046 Energy: 0.5449684205318166 Energy: 0.542994131152542 Energy: 0.5858337246315789 Energy: 0.5549386462166046 Energy: 0.5449684205415646 Energy: 0.5429941311549791 Energy: 0.585833724626705 Energy: 0.5384420250228459 Energy: 0.548357971823375 Energy: 0.6026071334998113 Energy: 0.552766958841945 Energy: 0.5384420250228459 Energy: 0.548357971818501 Energy: 0.6026071335022481 Energy: 0.5801822443489236 Energy: 0.5724218609682126 Energy: 0.6313346690355633 Energy: 0.55203009480036 Energy: 0.5801822443562344 Energy: 0.5724218609730864 Energy: 0.6313346690331263 Energy: 0.5373414806982955 Energy: 0.5319868891806727 Energy: 0.5984780103431121 Energy: 0.5660710134046077 Energy: 0.537341480707999 Energy: 0.5319868891806727 Energy: 0.5984780103479861 Energy: 0.5582887825857328 Energy: 0.5764731497002396 Energy: 0.5821509073016158 Energy: 0.5413363929637657 Energy: 0.5582887825832958 Energy: 0.5764731497075505 Energy: 0.5821509073089266 Energy: 0.535382022312286 Energy: 0.5662809088022974 Energy: 0.6209190087571057 Energy: 0.5663400711509792 Energy: 0.5353820223171599 Energy: 0.5662809087998605 Energy: 0.6209190087644167 Energy: 0.5341501978779113 Energy: 0.5467106046419609 Energy: 0.660674605667278 Energy: 0.5635029941240194 Energy: 0.5341501978900962 Energy: 0.5467106046395238 Energy: 0.6606746056624041 Energy: 0.5290653134217546 Energy: 0.5524666017136464 Energy: 0.6181081218396547 Energy: 0.5492740845160329 Energy: 0.5290653134266285 Energy: 0.5524666017136464 Energy: 0.6181081218372177 Energy: 0.5379759328151231 Energy: 0.574596768333489 Energy: 0.6223730903135989 Energy: 0.549338851421047 Energy: 0.5379759328297449 Energy: 0.574596768333489 Energy: 0.6223730903135989 Energy: 0.5487889737746187 Energy: 0.5418503690672172 Energy: 0.5699161691546121 Energy: 0.5705775298913097 Energy: 0.5487889737673076 Energy: 0.5418503690647801 Energy: 0.5699161691716709 Energy: 0.5627959651445301 Energy: 0.5880879017833827 Energy: 0.6041553918946225 Energy: 0.549890219231368 Energy: 0.5627959651542779 Energy: 0.5880879017760717 Energy: 0.6041553919092443 Energy: 0.6054199871251283 Energy: 0.5670110019874615 Energy: 0.6394549374779761 Energy: 0.5506360143788291 Energy: 0.6054199871299579 Energy: 0.5670110019898985 Energy: 0.6394549374731021 Energy: 0.5397482939947148 Energy: 0.567829305527338 Energy: 0.6010126974466187 Energy: 0.5449424376992332 Energy: 0.5397482939922779 Energy: 0.5678293055249011 Energy: 0.6010126974588035 Energy: 0.5496551342789642 Energy: 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0.5372519762312694 Energy: 0.577896107640785 Energy: 0.6501864312313771 Energy: 0.57275467117873 Energy: 0.5372519762239585 Energy: 0.5778961076334742 Energy: 0.6501864312240662 Energy: 0.5554664697014462 Energy: 0.5627783899491606 Energy: 0.5777680200772254 Energy: 0.5442263551967387 Energy: 0.5554664696941352 Energy: 0.5627783899491606 Energy: 0.5777680200845363 Energy: 0.5423773876354004 Energy: 0.5624281280106478 Energy: 0.5950353418926158 Energy: 0.5371552562011715 Energy: 0.5423773876475853 Energy: 0.5624281280179587 Energy: 0.5950353418926158 Energy: 0.5446537372524928 Energy: 0.5389468605276705 Energy: 0.6285891567793842 Energy: 0.5619159901497294 Energy: 0.5446537372403079 Energy: 0.5389468605471662 Energy: 0.628589156784258 Energy: 0.5317132663324675 Energy: 0.5428291641960566 Energy: 0.6066191924821341 Energy: 0.5648559655749625 Energy: 0.5317132663251566 Energy: 0.5428291641960566 Energy: 0.6066191924796973 Energy: 0.5386189115900889 Energy: 0.5757220256244721 Energy: 0.6265562775829314 Energy: 0.5469622791609788 Energy: 0.5386189115924815 Energy: 0.575722025626909 Energy: 0.6265562775853684 Energy: 0.5292598447479263 Energy: 0.5507576533374732 Energy: 0.6200514275385094 Energy: 0.5424888912568271 Energy: 0.5292598447552371 Energy: 0.5507576533374732 Energy: 0.6200514275360726 Energy: 0.5368868611364505 Energy: 0.5477463641110459 Energy: 0.5969479342189948 Energy: 0.5605210655182876 Energy: 0.5368868611364505 Energy: 0.5477463641207496 Energy: 0.5969479342189948 Energy: 0.5587486241780858 Energy: 0.5563940171549875 Energy: 0.6226562756898358 Energy: 0.5579706892919457 Energy: 0.5587486241707749 Energy: 0.5563940171525505 Energy: 0.6226562756825248 Energy: 0.5674363754240829 Energy: 0.5950785200225952 Energy: 0.6024854765277536 Energy: 0.558155880092997 Energy: 0.567436375414335 Energy: 0.5950785200104103 Energy: 0.6024854765228798 Energy: 0.573183112669784 Energy: 0.538761446946625 Energy: 0.6081241427505518 Energy: 0.5659146149478297 Energy: 0.573183112669784 Energy: 0.5387614469417511 Energy: 0.6081241427456778 Energy: 0.5665280719280291 Energy: 0.545311195146481 Energy: 0.6019457049757063 Energy: 0.5451596747815831 Energy: 0.5665280719280291 Energy: 0.545311195146481 Energy: 0.6019457049757063 Energy: 0.6050941117090248 Energy: 0.5567283124442844 Energy: 0.6229617384810908 Energy: 0.5672066401468371 Energy: 0.6050941117163356 Energy: 0.5567283124467213 Energy: 0.622961738478654 Energy: 0.5666635522557936 Energy: 0.5586603070361246 Energy: 0.6081556530698651 Energy: 0.5762126729901439 Energy: 0.5666635522411718 Energy: 0.5586603070336875 Energy: 0.608155653074739 Energy: 0.528604031703094 Energy: 0.5462638788389844 Energy: 0.6112687714086805 Energy: 0.5475225761159475 Energy: 0.528604031700657 Energy: 0.5462638788365475 Energy: 0.6112687714013695 Energy: 0.5385474910101533 Energy: 0.5705403546573803 Energy: 0.649618606532896 Energy: 0.5749521009732639 Energy: 0.5385474910028426 Energy: 0.5705403546793131 Energy: 0.649618606530459 Energy: 0.5293508792621987 Energy: 0.5672431458688665 Energy: 0.5865962248739578 Energy: 0.5416448707421392 Energy: 0.5293508792597618 Energy: 0.5672431458639925 Energy: 0.5865962248812688 minimum gb energy = 0.528604031700657 eV minimum distance = 2.54505279150498 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.5724647887949845 Energy: 0.5555131176619394 Energy: 0.6407137146066318 Energy: 0.5536192362975422 Energy: 0.5724647887968958 Energy: 0.5555131176663656 Energy: 0.6407137146033122 Energy: 0.5382826620881704 Energy: 0.5921558388338808 Energy: 0.6205167031087645 Energy: 0.5508644477499524 Energy: 0.5382826620881704 Energy: 0.592155838835792 Energy: 0.6205167031037854 Energy: 0.5400715967427224 Energy: 0.5490678357104729 Energy: 0.6141154435213229 Energy: 0.5498870001048051 Energy: 0.5400715967446337 Energy: 0.5490678357110261 Energy: 0.6141154435207696 Energy: 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0.5513415025124461 Energy: 0.5501244091224973 Energy: 0.5496401317708787 Energy: 0.5844785369890602 Energy: 0.5728277765917638 Energy: 0.5521371987901896 Energy: 0.5496401317719851 Energy: 0.5844785369943412 Energy: 0.5728277765914619 Energy: 0.5503272055466344 Energy: 0.5923843242929019 Energy: 0.6086772072716138 Energy: 0.5520381308434832 Energy: 0.55032720554246 Energy: 0.5923843242879226 Energy: 0.6086772072677411 Energy: 0.5402837017658088 Energy: 0.5464991998853935 Energy: 0.6110793816354934 Energy: 0.5571964814371536 Energy: 0.5402837017635957 Energy: 0.5464991998848402 Energy: 0.6110793816382595 Energy: 0.5447147278657923 Energy: 0.5438971588422855 Energy: 0.6167693050945967 Energy: 0.5527993443414798 Energy: 0.5447147278694136 Energy: 0.5438971588381615 Energy: 0.6167693050929371 Energy: 0.5904221258731924 Energy: 0.5555131176624928 Energy: 0.6472294479078569 Energy: 0.5536192362989002 Energy: 0.5904221258768136 Energy: 0.5555131176661139 Energy: 0.6472294479092149 Energy: 0.538282662089277 Energy: 0.592155838833579 Energy: 0.6205167031059983 Energy: 0.5516509116748158 Energy: 0.5382826620887237 Energy: 0.5921558388372004 Energy: 0.6205167031015724 minimum gb energy = 0.5338000215288626 eV minimum distance = 2.57567486743719 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.5961280244137014 Energy: 0.5426257551838136 Energy: 0.6396083400486687 Energy: 0.5386848712263507 Energy: 0.5961280244146595 Energy: 0.5426257551847717 Energy: 0.6396083400467523 Energy: 0.5795631992078322 Energy: 0.5652329743284394 Energy: 0.6074737884823332 Energy: 0.5739513936606163 Energy: 0.5795631992078322 Energy: 0.5652329743271618 Energy: 0.6074737884829721 Energy: 0.5523332692602009 Energy: 0.5634438633080022 Energy: 0.6259236280414217 Energy: 0.5525152083650439 Energy: 0.552333269259562 Energy: 0.5634438633083215 Energy: 0.6259236280414217 Energy: 0.5561873601218518 Energy: 0.5474892488603349 Energy: 0.627338831823527 Energy: 0.5575648717988133 Energy: 0.5561873601212131 Energy: 0.5474892488603349 Energy: 0.62733883182193 Energy: 0.5584464549645148 Energy: 0.5408872909878533 Energy: 0.6433122211337325 Energy: 0.5498032356840756 Energy: 0.5584464549651537 Energy: 0.5408872909872144 Energy: 0.6433122211324549 Energy: 0.5502811442359928 Energy: 0.5357230016533727 Energy: 0.6007387787992032 Energy: 0.5587294524351107 Energy: 0.5502811442363124 Energy: 0.535723001654331 Energy: 0.600738778799842 Energy: 0.5561309049745248 Energy: 0.5807037148374491 Energy: 0.5973911246950383 Energy: 0.570018685819116 Energy: 0.556130904973886 Energy: 0.5807037148355326 Energy: 0.5973911246940802 Energy: 0.5551851438867892 Energy: 0.5405042203735545 Energy: 0.6543110514161021 Energy: 0.5416014488626834 Energy: 0.555185143887428 Energy: 0.5405042203738739 Energy: 0.6543110514186573 Energy: 0.5563513924261821 Energy: 0.5458945253984385 Energy: 0.6328954403344297 Energy: 0.5416816051733444 Energy: 0.556351392424585 Energy: 0.5458945253971609 Energy: 0.632895440336985 Energy: 0.5481062657541339 Energy: 0.5637043228799111 Energy: 0.6284364783534534 Energy: 0.5805554647202079 Energy: 0.5481062657547727 Energy: 0.56370432288055 Energy: 0.6284364783553409 Energy: 0.583622377691964 Energy: 0.571130186202038 Energy: 0.614573506147022 Energy: 0.5517400219973674 Energy: 0.5836223776926026 Energy: 0.571130186202677 Energy: 0.6145735061467025 Energy: 0.5540456514393034 Energy: 0.5575939987121477 Energy: 0.6038780514527124 Energy: 0.5502720081966573 Energy: 0.5540456514393034 Energy: 0.5575939987134253 Energy: 0.6038780514466435 Energy: 0.5526518248403431 Energy: 0.5378086086669849 Energy: 0.6134536119159872 Energy: 0.551636959463717 Energy: 0.5526518248387461 Energy: 0.5378086086666655 Energy: 0.613453611916626 Energy: 0.5445609010971146 Energy: 0.5601684313577113 Energy: 0.6337974709329105 Energy: 0.5549812171974882 Energy: 0.5445609010977533 Energy: 0.5601684313577113 Energy: 0.6337974709322716 Energy: 0.5564573377078416 Energy: 0.5484513012158562 Energy: 0.630232319639503 Energy: 0.5714518329818266 Energy: 0.5564573377087998 Energy: 0.5484513012164951 Energy: 0.6302323196375864 Energy: 0.5498689477171009 Energy: 0.549798811959208 Energy: 0.595226561283235 Energy: 0.5540543875175239 Energy: 0.5498689477177399 Energy: 0.549798811961444 Energy: 0.5952265612838739 Energy: 0.5921528434584635 Energy: 0.5443333783117457 Energy: 0.6276040786742894 Energy: 0.5627160250903339 Energy: 0.5921528434578247 Energy: 0.5443333783120652 Energy: 0.6276040786755669 Energy: 0.555204770326669 Energy: 0.5852142926923075 Energy: 0.6495148302084968 Energy: 0.5703376918480088 Energy: 0.5552047703279468 Energy: 0.5852142926926269 Energy: 0.6495148302094551 Energy: 0.5545188627225307 Energy: 0.5417449080574762 Energy: 0.6566309886262203 Energy: 0.5417860911864248 Energy: 0.5545188627190172 Energy: 0.5417449080574762 Energy: 0.6566309886262203 Energy: 0.5470165698564445 Energy: 0.545945134717565 Energy: 0.6538137856593218 Energy: 0.5404892355598515 Energy: 0.5470165698586804 Energy: 0.5459451347185234 Energy: 0.6538137856596412 Energy: 0.5547795504288445 Energy: 0.5546096866121998 Energy: 0.6079328097116459 Energy: 0.580905325604296 Energy: 0.5547795504298028 Energy: 0.5546096866128386 Energy: 0.6079328097113266 Energy: 0.5438029104128188 Energy: 0.5640140899525613 Energy: 0.601709662095384 Energy: 0.5441083644388843 Energy: 0.5438029104134577 Energy: 0.5640140899535196 Energy: 0.601709662095384 Energy: 0.5845234614698489 Energy: 0.549801269469116 Energy: 0.5896976041335482 Energy: 0.5406526144870734 Energy: 0.5845234614704877 Energy: 0.5498012694694355 Energy: 0.5896976041316317 Energy: 0.5516873224843292 Energy: 0.5506905220138052 Energy: 0.620231383870331 Energy: 0.5519740094952709 Energy: 0.5516873224830516 Energy: 0.5506905220125276 Energy: 0.6202313838693728 Energy: 0.5500639064478094 Energy: 0.5473594655811445 Energy: 0.6026710946431716 Energy: 0.5595190118835072 Energy: 0.5500639064471706 Energy: 0.5473594655798667 Energy: 0.6026710946431716 Energy: 0.5790644490703051 Energy: 0.5756051224806042 Energy: 0.619982910819155 Energy: 0.5752240566219843 Energy: 0.579064449070944 Energy: 0.5756051224806042 Energy: 0.6199829108201131 Energy: 0.5870669070022195 Energy: 0.5377703032977862 Energy: 0.6489925238913702 Energy: 0.5384480821248195 Energy: 0.5870669070003031 Energy: 0.5377703032958697 Energy: 0.6489925238904118 Energy: 0.5884871927021632 Energy: 0.5650636045010369 Energy: 0.6086503871033585 Energy: 0.559486009872065 Energy: 0.5884871926996079 Energy: 0.5650636045026339 Energy: 0.608650387104636 Energy: 0.5605917746407272 Energy: 0.5596877020650031 Energy: 0.6154492238646947 Energy: 0.5498766822538554 Energy: 0.5605917746397692 Energy: 0.5596877020618379 Energy: 0.6154492238630976 Energy: 0.5598466305261153 Energy: 0.5420237763128988 Energy: 0.6344030922998138 Energy: 0.550872216859685 Energy: 0.5598466305254765 Energy: 0.5420237763141764 Energy: 0.6344030922994944 Energy: 0.5680710290043243 Energy: 0.5420971945266052 Energy: 0.6361168771979747 Energy: 0.5534175229106905 Energy: 0.5680710290014495 Energy: 0.5420971945272441 Energy: 0.6361168771986135 Energy: 0.5427607021645183 Energy: 0.5510420856617578 Energy: 0.5891565627525456 Energy: 0.5650166186576412 Energy: 0.5427607021661154 Energy: 0.5510420856623967 Energy: 0.589156562754462 Energy: 0.5548025833514457 Energy: 0.5789223321592367 Energy: 0.6007492128302172 Energy: 0.5676361992145347 Energy: 0.5548025833530429 Energy: 0.5789223321605144 Energy: 0.6007492128295784 Energy: 0.5474885139252461 Energy: 0.5408849283539012 Energy: 0.6536735869468037 Energy: 0.5454404192453621 Energy: 0.5474885139268433 Energy: 0.5408849283564565 Energy: 0.6536735869487201 Energy: 0.5611138942754029 Energy: 0.5416959673288838 Energy: 0.6515089334285622 Energy: 0.5438657727808714 Energy: 0.5611138942747642 Energy: 0.5416959673276062 Energy: 0.6515089334279236 Energy: 0.5447825891736098 Energy: 0.5663698897163628 Energy: 0.6408676863052778 Energy: 0.5896473911367474 Energy: 0.544782589174568 Energy: 0.5663698897192375 Energy: 0.6408676863065553 minimum gb energy = 0.5357230016533727 eV minimum distance = 2.53053553256057 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5532979212956434 Energy: 0.541038160034629 Energy: 0.6231893213175492 Energy: 0.5449180561907512 Energy: 0.5532979212975281 Energy: 0.5410381600334981 Energy: 0.6231893213149104 Energy: 0.515522445248382 Energy: 0.5652863671470467 Energy: 0.5397853892045625 Energy: 0.5761029338357202 Energy: 0.5155224452446464 Energy: 0.5652863671496855 Energy: 0.5397853892034316 Energy: 0.5374193929667969 Energy: 0.527791882749536 Energy: 0.5564884582673012 Energy: 0.5338952747916683 Energy: 0.5374193929637812 Energy: 0.5277918827480282 Energy: 0.5564884582646624 Energy: 0.52707484196012 Energy: 0.5726502491564232 Energy: 0.5647409063484379 Energy: 0.5487393385854645 Energy: 0.5270748419620048 Energy: 0.5726502491568002 Energy: 0.564740906347307 Energy: 0.5898940102021903 Energy: 0.5276856479039436 Energy: 0.5379182818144232 Energy: 0.5544677154494395 Energy: 0.5898940102052062 Energy: 0.5276856479046976 Energy: 0.5379182818106535 Energy: 0.5343031318032188 Energy: 0.5498998248267295 Energy: 0.5988554916637068 Energy: 0.5557370696493297 Energy: 0.5343031318002031 Energy: 0.5498998248259755 Energy: 0.5988554916651803 Energy: 0.6051046258592148 Energy: 0.5280321271013181 Energy: 0.5676599525222165 Energy: 0.5523503837906839 Energy: 0.6051046258588377 Energy: 0.5280321271020719 Energy: 0.567659952527871 Energy: 0.5271082009335192 Energy: 0.5622200848691052 Energy: 0.5987438138429823 Energy: 0.5342789115648243 Energy: 0.5271082009342731 Energy: 0.5622200848672204 Energy: 0.5987438138459981 Energy: 0.6116328291646881 Energy: 0.5277891616516043 Energy: 0.6001110078561929 Energy: 0.5529296479940531 Energy: 0.6116328291628033 Energy: 0.5277891616534891 Energy: 0.6001110078573237 Energy: 0.5269996718788864 Energy: 0.5485001217720397 Energy: 0.5980364289864593 Energy: 0.5842838058567932 Energy: 0.5269996718781325 Energy: 0.5485001217701548 Energy: 0.5980364289841973 Energy: 0.5344160298459851 Energy: 0.528157187117968 Energy: 0.6154261979774529 Energy: 0.5523816321965187 Energy: 0.5344160298452313 Energy: 0.5281571871202299 Energy: 0.6154261979800917 Energy: 0.5272567424887561 Energy: 0.5489348176121572 Energy: 0.5572129610671102 Energy: 0.5652996911659262 Energy: 0.5272567424842325 Energy: 0.5489348176129112 Energy: 0.5572129610663562 Energy: 0.5235998551729159 Energy: 0.5389774396899648 Energy: 0.5673654403900086 Energy: 0.5001659786568693 Energy: 0.5235998551725388 Energy: 0.5389774396907189 Energy: 0.5673654403934013 Energy: 0.5158003633644069 Energy: 0.5654671672652809 Energy: 0.5412240272655499 Energy: 0.5746253661352412 Energy: 0.5158003633595063 Energy: 0.5654671672645271 Energy: 0.5412240272666807 Energy: 0.5413255523092447 Energy: 0.541038160035383 Energy: 0.5964293364005614 Energy: 0.544918056191882 Energy: 0.5413255523099988 Energy: 0.5410381600323672 Energy: 0.5964293364013155 Energy: 0.5155224452491358 Energy: 0.5652863671466698 Energy: 0.5397853892083322 Energy: 0.5970761253428231 Energy: 0.5155224452461201 Energy: 0.5652863671496855 Energy: 0.5397853892072013 Energy: 0.5374193929664198 Energy: 0.5397425697327503 Energy: 0.5564884582669243 Energy: 0.5338952747897834 Energy: 0.5374193929611423 Energy: 0.5397425697380279 Energy: 0.5564884582646624 Energy: 0.5270748419612509 Energy: 0.5726502491571771 Energy: 0.564740906348061 Energy: 0.5487393385854645 Energy: 0.5270748419620048 Energy: 0.572650249158308 Energy: 0.564740906347307 Energy: 0.5679801624115912 Energy: 0.5276856479050746 Energy: 0.5379182818132923 Energy: 0.5544677154501936 Energy: 0.5679801624115912 Energy: 0.5276856479058285 Energy: 0.5379182818091456 Energy: 0.5437215068172649 Energy: 0.5498998248286144 Energy: 0.5988554916644606 Energy: 0.5557370696485756 Energy: 0.5437215068214116 Energy: 0.5498998248278605 Energy: 0.5988554916651803 Energy: 0.6051046258584609 Energy: 0.528032127102826 Energy: 0.564829022549637 Energy: 0.5530668116086366 Energy: 0.6051046258584609 Energy: 0.5280321271043338 Energy: 0.5648290225518987 Energy: 0.5271082009338962 Energy: 0.5643012867131237 Energy: 0.5987438138410974 Energy: 0.5342789115644474 Energy: 0.5271082009331424 Energy: 0.5643012867150086 Energy: 0.5987438138441132 Energy: 0.611632829165065 Energy: 0.5277891616516043 Energy: 0.5910851096684505 Energy: 0.5529296479925451 Energy: 0.6116328291628033 Energy: 0.5277891616546201 Energy: 0.5910851096676965 Energy: 0.5409163604652931 Energy: 0.5485001217735475 Energy: 0.5980364289868361 Energy: 0.584283805858301 Energy: 0.5409163604656702 Energy: 0.5485001217716626 Energy: 0.5980364289845743 Energy: 0.5344160298471161 Energy: 0.528157187118345 Energy: 0.5549868369356258 Energy: 0.5524103214141443 Energy: 0.5344160298441004 Energy: 0.5281571871206069 Energy: 0.5549868369348718 Energy: 0.5272567424883793 Energy: 0.5489348176114034 Energy: 0.5571708985276387 Energy: 0.5652996911681879 Energy: 0.5272567424827246 Energy: 0.5489348176129112 Energy: 0.5571708985287696 Energy: 0.5235998551751776 Energy: 0.538977439688457 Energy: 0.562803771379897 Energy: 0.5001659786580002 Energy: 0.5235998551751776 Energy: 0.5389774396899648 Energy: 0.5628037713746195 Energy: 0.5158003633651608 Energy: 0.5654671672637731 Energy: 0.5412240272655499 Energy: 0.5746253661356182 Energy: 0.5158003633610141 Energy: 0.5654671672637731 Energy: 0.5412240272666807 Energy: 0.5241114422151849 Energy: 0.541038160034252 Energy: 0.5964293364016924 Energy: 0.5449180561926359 Energy: 0.5241114422197085 Energy: 0.5410381600331212 Energy: 0.5964293364013155 Energy: 0.5155224452495129 Energy: 0.5652863671474236 Energy: 0.5397853892064475 Energy: 0.5906821431800127 Energy: 0.5155224452454005 Energy: 0.5652863671500624 Energy: 0.5397853892049395 minimum gb energy = 0.5001659786568693 eV minimum distance = 2.610846540214 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.5428277547187931 Energy: 0.6007890958024872 Energy: 0.6098968820418851 Energy: 0.6007206655485366 Energy: 0.5428277547219964 Energy: 0.6007890958047754 Energy: 0.6098968820423427 Energy: 0.5553946093259428 Energy: 0.5269856639852168 Energy: 0.5807321721199319 Energy: 0.5250986828291115 Energy: 0.555394609325485 Energy: 0.5269856639847591 Energy: 0.5807321721171861 Energy: 0.5456303648893979 Energy: 0.5372920981596265 Energy: 0.5904962042414985 Energy: 0.5483348332688528 Energy: 0.5456303648880249 Energy: 0.5372920981596265 Energy: 0.5904962042428715 Energy: 0.5451967221725276 Energy: 0.5259149890471279 Energy: 0.6157885297235227 Energy: 0.5315182521049105 Energy: 0.5451967221716123 Energy: 0.5259149890471279 Energy: 0.6157885297221499 Energy: 0.525040203915712 Energy: 0.5597302593175449 Energy: 0.5820005362324969 Energy: 0.5440766027841912 Energy: 0.5250402039125087 Energy: 0.5597302593180027 Energy: 0.5820005362329546 Energy: 0.5450867062694934 Energy: 0.5277745324924418 Energy: 0.5560552522565648 Energy: 0.5406195515676018 Energy: 0.5450867062667477 Energy: 0.5277745324942723 Energy: 0.5560552522565648 Energy: 0.5434003287579064 Energy: 0.5589167612690008 Energy: 0.5766366567610798 Energy: 0.5313167550734349 Energy: 0.5434003287592792 Energy: 0.5589167612694584 Energy: 0.5766366567615375 Energy: 0.5459702228908977 Energy: 0.5218504302594041 Energy: 0.5526448172665601 Energy: 0.5418416347934677 Energy: 0.5459702228913553 Energy: 0.5218504302594041 Energy: 0.5526448172656448 Energy: 0.5434254800210064 Energy: 0.5423959046457437 Energy: 0.5728649756489007 Energy: 0.5469355293944448 Energy: 0.5434254800196336 Energy: 0.5423959046439133 Energy: 0.5728649756493583 Energy: 0.5605745895392659 Energy: 0.5280658581213872 Energy: 0.5507870960611547 Energy: 0.5561676303716631 Energy: 0.560574589541554 Energy: 0.5280658581227601 Energy: 0.550787096058409 Energy: 0.5532616671293178 Energy: 0.5636274514508051 Energy: 0.5461903348041055 Energy: 0.5317033743626995 Energy: 0.5532616671293178 Energy: 0.5636274514508051 Energy: 0.5461903348045632 Energy: 0.508374432852164 Energy: 0.541644639487296 Energy: 0.5532215199949615 Energy: 0.5431857336988086 Energy: 0.5083744328517065 Energy: 0.5416446394877537 Energy: 0.5532215199945039 Energy: 0.5420080880842472 Energy: 0.544588718844937 Energy: 0.5536399150375076 Energy: 0.5269003710021906 Energy: 0.5420080880805861 Energy: 0.5445887188467675 Energy: 0.5536399150375076 Energy: 0.5074087233861282 Energy: 0.5417847462248047 Energy: 0.5563876123094359 Energy: 0.5210971276377729 Energy: 0.5074087233842977 Energy: 0.5417847462266352 Energy: 0.5563876123076055 Energy: 0.5717184703737151 Energy: 0.5115600291814033 Energy: 0.5657835735870544 Energy: 0.5320628056779971 Energy: 0.5717184703741728 Energy: 0.5115600291823186 Energy: 0.5657835735879488 Energy: 0.505108353627266 Energy: 0.5616728239489864 Energy: 0.5604143763575001 Energy: 0.5642286669013598 Energy: 0.5051083536277237 Energy: 0.5616728239471559 Energy: 0.5604143763579577 Energy: 0.57066891707309 Energy: 0.5406706990951723 Energy: 0.5818801920015241 Energy: 0.531976081887352 Energy: 0.5706689170726323 Energy: 0.5406706990951723 Energy: 0.5818801920047275 Energy: 0.5051597816414027 Energy: 0.5318310435952027 Energy: 0.5409164801663222 Energy: 0.5468803580249233 Energy: 0.5051597816414027 Energy: 0.5318310435952027 Energy: 0.5409164801622036 Energy: 0.5430430482062719 Energy: 0.5406542258012442 Energy: 0.5692309694201011 Energy: 0.5316053347785308 Energy: 0.54304304820856 Energy: 0.5406542258049051 Energy: 0.5692309694210163 Energy: 0.5053961406954496 Energy: 0.5446763883251764 Energy: 0.5392022526454481 Energy: 0.5446619477199364 Energy: 0.5053961406977378 Energy: 0.5446763883247189 Energy: 0.5392022526422446 Energy: 0.5431632992912587 Energy: 0.5316104307747915 Energy: 0.5691702819206418 Energy: 0.5407320529659164 Energy: 0.5431632992935469 Energy: 0.5316104307752492 Energy: 0.5691702819238451 Energy: 0.5051746680115775 Energy: 0.546862639541473 Energy: 0.5443430568790861 Energy: 0.5318342341779466 Energy: 0.5051746680134079 Energy: 0.5468626395378119 Energy: 0.5443430568795438 Energy: 0.5710474425303029 Energy: 0.5319883633333641 Energy: 0.5819127509157186 Energy: 0.5405137147426591 Energy: 0.5710474425275572 Energy: 0.5319883633329064 Energy: 0.5819127509184643 Energy: 0.5050601334690705 Energy: 0.564329881069418 Energy: 0.5603362533431951 Energy: 0.5622780912163149 Energy: 0.5050601334672401 Energy: 0.5643298810671299 Energy: 0.5603362533454833 Energy: 0.5705659447720353 Energy: 0.5320732454157545 Energy: 0.5802579650529766 Energy: 0.5118723400411096 Energy: 0.5705659447743234 Energy: 0.5320732454166698 Energy: 0.5802579650488578 minimum gb energy = 0.5050601334672401 eV minimum distance = 2.59164105780955 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.565141446686097 Energy: 0.5813118775279013 Energy: 0.6067651339814315 Energy: 0.5812898962351223 Energy: 0.5651414466899048 Energy: 0.5813118775228396 Energy: 0.6067651339850072 Energy: 0.5813411562651505 Energy: 0.5652911962326985 Energy: 0.6337214746915758 Energy: 0.5838304411642085 Energy: 0.5813411562600425 Energy: 0.5652911962291229 Energy: 0.6337214746920866 Energy: 0.5816738091072223 Energy: 0.5667377223207202 Energy: 0.6253060062873527 Energy: 0.5520891263808885 Energy: 0.5816738090990494 Energy: 0.5667377223181661 Energy: 0.6253060062824768 Energy: 0.5314623753576918 Energy: 0.58369150574314 Energy: 0.6583959062064778 Energy: 0.5657208989699063 Energy: 0.53146237535133 Energy: 0.5836915057408645 Energy: 0.6583959062120966 Energy: 0.5838580400549606 Energy: 0.5240757225575122 Energy: 0.6009472064738788 Energy: 0.5438150960963851 Energy: 0.5838580400511062 Energy: 0.5240757225534258 Energy: 0.6009472064823304 Energy: 0.5174645021970808 Energy: 0.5601023613605471 Energy: 0.6224010222042249 Energy: 0.5397802607134571 Energy: 0.5174645021924836 Energy: 0.5601023613590147 Energy: 0.6224010222072897 Energy: 0.5492525905816634 Energy: 0.523901693618425 Energy: 0.622325088023822 Energy: 0.5299830582977038 Energy: 0.5492525905901148 Energy: 0.5239016936122954 Energy: 0.6223250880222895 Energy: 0.5169938352104837 Energy: 0.5565290082490582 Energy: 0.6293816605113902 Energy: 0.5428195636692825 Energy: 0.516993835212016 Energy: 0.5565290082465042 Energy: 0.6293816605208169 Energy: 0.5454510777387513 Energy: 0.5297894774566041 Energy: 0.6427307012920375 Energy: 0.5241680152837443 Energy: 0.5454510777351756 Energy: 0.5297894774673311 Energy: 0.6427307012925484 Energy: 0.5170996265140869 Energy: 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0.5340562609110424 Energy: 0.5957698974234716 Energy: 0.5303357741073821 Energy: 0.531521314045004 Energy: 0.6248641974883777 Energy: 0.5671180099484137 Energy: 0.5303357741150441 Energy: 0.531521314043193 Energy: 0.6248641974899102 Energy: 0.5333261880616161 Energy: 0.5367756664059127 Energy: 0.5855403591944381 Energy: 0.5348910125856199 Energy: 0.5333261880611053 Energy: 0.5367756664067022 Energy: 0.585540359199314 Energy: 0.5510505089026153 Energy: 0.5484851647253364 Energy: 0.5927850576394768 Energy: 0.5734812295807634 Energy: 0.5510505089036368 Energy: 0.5484851647281225 Energy: 0.592785057644817 Energy: 0.547555980548124 Energy: 0.5311870593217655 Energy: 0.639449880444048 Energy: 0.5457929446122065 Energy: 0.5475559805440376 Energy: 0.5311870593197223 Energy: 0.6394498804310457 Energy: 0.54698006331103 Energy: 0.5583205905781906 Energy: 0.6205976720819488 Energy: 0.6018441832373638 Energy: 0.546980063316881 Energy: 0.5583205905751257 Energy: 0.6205976720872891 Energy: 0.5394869982004901 Energy: 0.5724097556847173 Energy: 0.6390083892941067 Energy: 0.5619152938571321 Energy: 0.5394869982040658 Energy: 0.5724097556801202 Energy: 0.6390083892900205 Energy: 0.6073763734852774 Energy: 0.5546032977644327 Energy: 0.6356274957571033 Energy: 0.5982344878011867 Energy: 0.6073763734924285 Energy: 0.5546032977685191 Energy: 0.6356274957532488 Energy: 0.5559826462461365 Energy: 0.5884974193966838 Energy: 0.6603151535124249 Energy: 0.5933027485913982 Energy: 0.5559826462499442 Energy: 0.5884974193923187 Energy: 0.6603151535098707 Energy: 0.608399599568693 Energy: 0.5551300384041215 Energy: 0.5986738176731662 Energy: 0.6199185057267066 Energy: 0.6083995995638173 Energy: 0.5551300383985027 Energy: 0.598673817663461 Energy: 0.5432734929023204 Energy: 0.5731542056749359 Energy: 0.6359368208151178 Energy: 0.5688280283556891 Energy: 0.5432734928967016 Energy: 0.5731542056744253 Energy: 0.6359368208207365 Energy: 0.5674390598707059 Energy: 0.5581966046970807 Energy: 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0.5310919787360148 Energy: 0.5308852821965472 Energy: 0.5702951456633085 Energy: 0.5310916869571506 Energy: 0.5439606784058302 Energy: 0.595469837986029 Energy: 0.5691519056812813 Energy: 0.5310916869591474 Energy: 0.5439606784127492 Energy: 0.5954698379883508 Energy: 0.5313696429151495 Energy: 0.5309813774651578 Energy: 0.5892335671011473 Energy: 0.53649283398836 Energy: 0.5313696429184465 Energy: 0.5309813774600499 Energy: 0.5892335671037012 Energy: 0.5430079797938508 Energy: 0.558590546206749 Energy: 0.6716247253075048 Energy: 0.5522995540445853 Energy: 0.5430079798025345 Energy: 0.558590546207492 Energy: 0.6716247252988212 Energy: 0.5326096795922322 Energy: 0.5670447127851989 Energy: 0.6033704763763841 Energy: 0.5496260632879346 Energy: 0.5326096796006837 Energy: 0.5670447127818554 Energy: 0.6033704763733192 Energy: 0.573903719994517 Energy: 0.5607940765264982 Energy: 0.6858953694534061 Energy: 0.5636419107487839 Energy: 0.5739037199932632 Energy: 0.5607940765244549 Energy: 0.6858953694618575 Energy: 0.5325534846946733 Energy: 0.5647784068377502 Energy: 0.6661139307664796 Energy: 0.5768768495681211 Energy: 0.5325534846778168 Energy: 0.5647784068436013 Energy: 0.6661139307649473 Energy: 0.5611495911432031 Energy: 0.5608839667454715 Energy: 0.6551994841899265 Energy: 0.5798481740599577 Energy: 0.5611495911342408 Energy: 0.5608839667444498 Energy: 0.6551994841868617 Energy: 0.5408314061597681 Energy: 0.5614464404322191 Energy: 0.6656924011893033 Energy: 0.5380132775176713 Energy: 0.5408314061605111 Energy: 0.5614464404314762 Energy: 0.6656924011984975 Energy: 0.5295351285648492 Energy: 0.5582182604609625 Energy: 0.6371133165526571 Energy: 0.5683248106356988 Energy: 0.529535128557698 Energy: 0.5582182604602194 Energy: 0.637113316555722 minimum gb energy = 0.5169938352104837 eV minimum distance = 2.50456069326756 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.5026168708491376 Energy: 0.5016251151415078 Energy: 0.5407368313518589 Energy: 0.5016251151432352 Energy: 0.5026168708451068 Energy: 0.5016251151432352 Energy: 0.5407368809436275 Energy: 0.5026168708468344 Energy: 0.5016251151432352 Energy: 0.7124421013475885 Energy: 0.5016251151420835 Energy: 0.5026168708474102 Energy: 0.5016251151397803 Energy: 0.7124421013447094 Energy: 0.5026168708456826 Energy: 0.5016251151403561 Energy: 0.5407367704470837 Energy: 0.5016251151392044 Energy: 0.5026168708462585 Energy: 0.5016251151426594 Energy: 0.5407367079928715 Energy: 0.5026168708497135 Energy: 0.5016251151415078 Energy: 0.5178924905892199 Energy: 0.5016251151432352 Energy: 0.5026168708445309 Energy: 0.5016251151432352 Energy: 0.5178924817253115 Energy: 0.5026168708456826 Energy: 0.5016251151432352 Energy: 0.5407367523417292 Energy: 0.5016251151426594 Energy: 0.5026168708456826 Energy: 0.5016251151397803 Energy: 0.540736797716251 Energy: 0.5026168708462585 Energy: 0.5016251151409319 Energy: 0.5178921114446354 Energy: 0.5016251151392044 Energy: 0.5026168708462585 Energy: 0.5016251151420835 Energy: 0.5178923585522399 Energy: 0.502616870847986 Energy: 0.5016251151415078 Energy: 0.6019835187350522 Energy: 0.5016251151432352 Energy: 0.5026168708445309 Energy: 0.5016251151432352 Energy: 0.601983518735628 Energy: 0.5026168708468344 Energy: 0.5016251151426594 Energy: 0.5178910994966051 Energy: 0.5016251151426594 Energy: 0.5026168708474102 Energy: 0.5016251151397803 Energy: 0.5178913243115253 Energy: 0.5026168708462585 Energy: 0.5016251151403561 Energy: 0.6019835187373554 Energy: 0.5016251151392044 Energy: 0.5026168708468344 Energy: 0.5016251151426594 Energy: 0.601983518735628 Energy: 0.5026168708485619 Energy: 0.5016251151415078 Energy: 0.5770350058561008 Energy: 0.5016251151432352 Energy: 0.5026168708445309 Energy: 0.5016251151432352 Energy: 0.5770350058584042 Energy: 0.5026168708462585 Energy: 0.5016251151432352 Energy: 0.6019835187408106 Energy: 0.5016251151426594 Energy: 0.5026168708468344 Energy: 0.5016251151397803 Energy: 0.6019835187385072 Energy: 0.5026168708456826 Energy: 0.5016251151415078 Energy: 0.5770350058578285 Energy: 0.5016251151392044 Energy: 0.5026168708456826 Energy: 0.5016251151426594 Energy: 0.5770350058601317 Energy: 0.5026168708474102 Energy: 0.5016251151415078 Energy: 0.577035005855525 Energy: 0.5016251151426594 Energy: 0.5026168708445309 Energy: 0.5016251151432352 Energy: 0.5770350058549492 Energy: 0.5026168708462585 Energy: 0.5016251151432352 Energy: 0.5770350058537975 Energy: 0.5016251151420835 Energy: 0.5026168708462585 Energy: 0.5016251151397803 Energy: 0.57703500585898 Energy: 0.5026168708456826 Energy: 0.5016251151403561 Energy: 0.577035005855525 Energy: 0.5016251151392044 Energy: 0.5026168708462585 Energy: 0.5016251151420835 Energy: 0.57703500585898 Energy: 0.5026168708491376 Energy: 0.5016251151415078 Energy: 0.5770350058578285 Energy: 0.5016251151432352 Energy: 0.5026168708439551 Energy: 0.5016251151432352 Energy: 0.5770350058561008 Energy: 0.5026168708462585 Energy: 0.5016251151432352 Energy: 0.5770350058537975 Energy: 0.5016251151420835 Energy: 0.5026168708462585 Energy: 0.5016251151392044 Energy: 0.5770350058549492 Energy: 0.5026168708456826 Energy: 0.5016251151415078 Energy: 0.5770350058584042 Energy: 0.5016251151386284 Energy: 0.5026168708462585 Energy: 0.5016251151420835 Energy: 0.5770350058578285 Energy: 0.5026168708468344 Energy: 0.5016251151415078 Energy: 0.5770350058595559 Energy: 0.5016251151426594 Energy: 0.5026168708445309 Energy: 0.5016251151432352 Energy: 0.5770350058578285 Energy: 0.5026168708468344 Energy: 0.5016251151426594 Energy: 0.5770350058584042 Energy: 0.5016251151420835 Energy: 0.5026168708474102 Energy: 0.5016251151397803 Energy: 0.5770350058572525 minimum gb energy = 0.5016251151386284 eV minimum distance = 2.67500092937302 Angstroms sigma value = 23