model_name=EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.0499994456768045 cohesive_energy=3.299025747576126 mass=26.981538 Isolated atom energy: -0.061233718112 eV ======================================== theta = 0.0 ======================================== Energy: 0.010138164522882975 Energy: 0.010138164521911302 Energy: 0.01013816451849657 Energy: 0.010138164519468243 Energy: 0.010138164519468243 Energy: 0.010138164521911302 Energy: 0.010138164520439913 Energy: 0.29831953178852383 Energy: 0.2983195317914667 Energy: 0.010138164521911302 Energy: 0.010138164522411019 Energy: 0.010138164522882975 Energy: 0.010138164522882975 Energy: 0.010138164519468243 Energy: 0.010138164521911302 Energy: 0.4010428173987893 Energy: 0.010138164517524898 Energy: 0.010138164522411019 Energy: 0.010138164521411586 Energy: 0.010138164519468243 Energy: 0.010138164522411019 Energy: 0.010138164517524898 Energy: 0.010138164522882975 Energy: 0.010138164521911302 Energy: 0.010138164521911302 Energy: 0.2983195317851091 Energy: 0.2983195317831658 Energy: 0.010138164520439913 Energy: 0.010138164520439913 Energy: 0.010138164522411019 minimum gb energy = 0.010138164517524898 eV minimum distance = 2.86368476431503 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.4039663889234231 Energy: 0.3683705963221009 Energy: 0.36837058322994265 Energy: 0.36648621609010007 Energy: 0.36840231190311157 Energy: 0.3684022162931741 Energy: 0.36595346479759566 Energy: 0.3727946491176342 Energy: 0.37279463465285767 Energy: 0.3811003282362977 Energy: 0.39182405222225897 Energy: 0.3918240434931685 Energy: 0.3824893065123048 Energy: 0.36869128409672486 Energy: 0.3686912717085598 Energy: 0.3519881925952739 Energy: 0.37685563099326896 Energy: 0.37685578883412657 Energy: 0.3651886918596334 Energy: 0.36869128550149055 Energy: 0.368691266770118 Energy: 0.38246271339043214 Energy: 0.4060754714830462 Energy: 0.40607547157889756 Energy: 0.37362934449193136 Energy: 0.42122520796282775 Energy: 0.42122504849110864 Energy: 0.3731330630708019 Energy: 0.3851521868950102 Energy: 0.385152283591637 minimum gb energy = 0.3519881925952739 eV minimum distance = 2.55993524794813 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.41460696206391023 Energy: 0.3830998804347022 Energy: 0.3830981169489035 Energy: 0.36032373600007855 Energy: 0.3846984775694916 Energy: 0.38469856400419195 Energy: 0.3706562094096934 Energy: 0.383490209281369 Energy: 0.38349021981641856 Energy: 0.37541822054157625 Energy: 0.3850937517993493 Energy: 0.38509372047776147 Energy: 0.36664501747628164 Energy: 0.38309109896158755 Energy: 0.3830911468234196 Energy: 0.40539991341471415 Energy: 0.3849606257891034 Energy: 0.38496120792040617 Energy: 0.36133840458919025 Energy: 0.38349021996187016 Energy: 0.3834902120289039 Energy: 0.36683230833247227 Energy: 0.38509375237732624 Energy: 0.3850937877868124 Energy: 0.37117286111343567 Energy: 0.38349021353351764 Energy: 0.3834902124169014 Energy: 0.36433990113296794 Energy: 0.39460065865382205 Energy: 0.39460107595205074 minimum gb energy = 0.36032373600007855 eV minimum distance = 2.60373972858383 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.42599761259297997 Energy: 0.3904361180140316 Energy: 0.3904363875463974 Energy: 0.3814997415337577 Energy: 0.39353861994501566 Energy: 0.39353859939994595 Energy: 0.4077303035644912 Energy: 0.38336607896053426 Energy: 0.3833660789672797 Energy: 0.3827545670644432 Energy: 0.458447552576743 Energy: 0.4584476057625342 Energy: 0.39132526113018046 Energy: 0.3860309389988645 Energy: 0.38603093417575046 Energy: 0.3720325349468052 Energy: 0.40026383479582384 Energy: 0.40026382180830494 Energy: 0.3813552224078855 Energy: 0.3860309501033408 Energy: 0.3860309389857483 Energy: 0.391366166029073 Energy: 0.48795135117181054 Energy: 0.4879511486461951 Energy: 0.4453217070939478 Energy: 0.3860309516893441 Energy: 0.3860309508079359 Energy: 0.37798643837154056 Energy: 0.40026382194614424 Energy: 0.4002638321393006 minimum gb energy = 0.3720325349468052 eV minimum distance = 2.60560194833803 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.43730243242154165 Energy: 0.40729923147881847 Energy: 0.4072992329624622 Energy: 0.3957945174333581 Energy: 0.459958741846125 Energy: 0.45995874119595187 Energy: 0.40486855961300605 Energy: 0.40235172258656077 Energy: 0.40235171817050747 Energy: 0.39906470822445256 Energy: 0.4079086572365454 Energy: 0.40792408905856564 Energy: 0.40607620774099595 Energy: 0.47539241046602176 Energy: 0.475387322381202 Energy: 0.42548191511838285 Energy: 0.40563585500002114 Energy: 0.4056359071439006 Energy: 0.4060761654371382 Energy: 0.48015210533906966 Energy: 0.48015212582663275 Energy: 0.3908619777039152 Energy: 0.40907256107336676 Energy: 0.4090725272390415 Energy: 0.4072345542618995 Energy: 0.4027121186216597 Energy: 0.40271213603080946 Energy: 0.4004563839044147 Energy: 0.42466204802153323 Energy: 0.4246620147266242 minimum gb energy = 0.3908619777039152 eV minimum distance = 2.56603202598069 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.45746152268707424 Energy: 0.43238103210684353 Energy: 0.4323810320166405 Energy: 0.4319043922132022 Energy: 0.4217695041788475 Energy: 0.42176952367158016 Energy: 0.4105239091240865 Energy: 0.4166040559890505 Energy: 0.41660411254553853 Energy: 0.4029033962708912 Energy: 0.42728896630438534 Energy: 0.42728902220293047 Energy: 0.44235157216685195 Energy: 0.4359893797134602 Energy: 0.43598940366548977 Energy: 0.3959974629451163 Energy: 0.4320043036142938 Energy: 0.432004454508668 Energy: 0.4248120921327824 Energy: 0.4186991078864383 Energy: 0.41869915745084774 Energy: 0.4421157815601397 Energy: 0.4464419656968474 Energy: 0.44644182064137733 Energy: 0.39868457378722855 Energy: 0.41918210467900485 Energy: 0.4191820993512779 Energy: 0.4289971308700948 Energy: 0.44213979628417027 Energy: 0.4421442959490958 minimum gb energy = 0.3959974629451163 eV minimum distance = 2.5583243890013 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.46325958509853465 Energy: 0.435307768414234 Energy: 0.4353078322179112 Energy: 0.41557874601131817 Energy: 0.436308035424484 Energy: 0.4363085803981235 Energy: 0.4263364458223545 Energy: 0.44389258398741205 Energy: 0.4438926610192274 Energy: 0.41508948120078976 Energy: 0.43029815391777143 Energy: 0.43029815391145104 Energy: 0.4266372988410516 Energy: 0.4360901360543587 Energy: 0.43609054292467914 Energy: 0.44571598147416913 Energy: 0.44579709453246613 Energy: 0.4457971123501235 Energy: 0.4143062514740516 Energy: 0.453006308008612 Energy: 0.4530062170026926 Energy: 0.4279916298701423 Energy: 0.436090971641823 Energy: 0.4360904224494484 Energy: 0.4263393129368937 Energy: 0.4500844583636779 Energy: 0.4500844699195972 Energy: 0.44554461174183957 Energy: 0.43877420703637104 Energy: 0.4387740951934611 minimum gb energy = 0.4143062514740516 eV minimum distance = 2.51097289640882 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.46112152429722 Energy: 0.4583228840893578 Energy: 0.45832295647445626 Energy: 0.4437434790488601 Energy: 0.4590541388041204 Energy: 0.4590539365572746 Energy: 0.4352652831480085 Energy: 0.45905418501282896 Energy: 0.4590539187589718 Energy: 0.4258339413632144 Energy: 0.4590540352401689 Energy: 0.4590539930420249 Energy: 0.43070702330813854 Energy: 0.4582994843636919 Energy: 0.45829943763512077 Energy: 0.42994756795938754 Energy: 0.4582993562952694 Energy: 0.4582994501510646 Energy: 0.46034241476503895 Energy: 0.4590539437536774 Energy: 0.4590540981927393 Energy: 0.4352655246438893 Energy: 0.4590540434387223 Energy: 0.4590539857317703 Energy: 0.4369008151370564 Energy: 0.45905397290031813 Energy: 0.4590540225559246 Energy: 0.44566579818458185 Energy: 0.45832311222411326 Energy: 0.4583230388401508 minimum gb energy = 0.4258339413632144 eV minimum distance = 2.56690592773375 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.47411273121909386 Energy: 0.4764566627389835 Energy: 0.4764566579405925 Energy: 0.446478868463184 Energy: 0.4493944349337724 Energy: 0.4493947741395084 Energy: 0.46544270322366094 Energy: 0.45322642647748357 Energy: 0.4532264271408039 Energy: 0.47352568075987406 Energy: 0.4482291726529609 Energy: 0.44822918637327114 Energy: 0.45148657993736635 Energy: 0.46734971076013887 Energy: 0.4673481004444662 Energy: 0.46224956522094973 Energy: 0.4673498399874741 Energy: 0.4673481150395251 Energy: 0.47352569495874247 Energy: 0.4528601283860076 Energy: 0.4528601250390758 Energy: 0.47352570596029037 Energy: 0.453226439422988 Energy: 0.4532264398863949 Energy: 0.44647886848378965 Energy: 0.44939578631800714 Energy: 0.4493957713449391 Energy: 0.4741132125364861 Energy: 0.4709241892797846 Energy: 0.4709241892573883 minimum gb energy = 0.446478868463184 eV minimum distance = 2.50295032160396 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.48905921956922915 Energy: 0.4894352061510845 Energy: 0.4894351727125736 Energy: 0.48196707123684435 Energy: 0.461000741694718 Energy: 0.46100080533723486 Energy: 0.46172586962267714 Energy: 0.48616288489909404 Energy: 0.4861598993362118 Energy: 0.46069008674458595 Energy: 0.47649873399097215 Energy: 0.4764987551101676 Energy: 0.4739832559206375 Energy: 0.4833158360926546 Energy: 0.4833154841966077 Energy: 0.46992706768268977 Energy: 0.47172843694142774 Energy: 0.4717318369168306 Energy: 0.4729995014788211 Energy: 0.49015870604276474 Energy: 0.4901587021356631 Energy: 0.47432880173093095 Energy: 0.522900593226863 Energy: 0.5229008500022282 Energy: 0.44432872699487114 Energy: 0.48125894245970424 Energy: 0.48125364126058184 Energy: 0.4790225480301552 Energy: 0.48878859033926736 Energy: 0.48878859280210896 minimum gb energy = 0.44432872699487114 eV minimum distance = 2.52221460153539 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.48546657070778365 Energy: 0.4959530568468866 Energy: 0.49595307467649447 Energy: 0.46757483604394423 Energy: 0.4724008665722893 Energy: 0.4724004508083836 Energy: 0.4914520557675994 Energy: 0.481430343889198 Energy: 0.48143051433546347 Energy: 0.4627465825081286 Energy: 0.49735311761492074 Energy: 0.497353811815308 Energy: 0.46430054444028673 Energy: 0.49474943253609005 Energy: 0.4947494344451712 Energy: 0.4549130339992402 Energy: 0.4959792259246017 Energy: 0.49597921611190365 Energy: 0.4631737496382044 Energy: 0.4930131316321578 Energy: 0.4930129747469616 Energy: 0.44795671087823463 Energy: 0.497353156371898 Energy: 0.49735324501088873 Energy: 0.4854613350230051 Energy: 0.4822327351799457 Energy: 0.48223309156480204 Energy: 0.4675748356012005 Energy: 0.4883582542731071 Energy: 0.4883606734976332 minimum gb energy = 0.44795671087823463 eV minimum distance = 2.50620905506651 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5063189646892036 Energy: 0.5045782705987095 Energy: 0.5045793504002108 Energy: 0.45569942868169283 Energy: 0.47840821504959113 Energy: 0.47840826231564393 Energy: 0.49062280642602357 Energy: 0.5219411649795098 Energy: 0.5219411573095282 Energy: 0.46676065711502956 Energy: 0.47840828325884927 Energy: 0.47840829623424347 Energy: 0.47593809111745666 Energy: 0.5010025618406007 Energy: 0.5009276591270659 Energy: 0.48662283771271625 Energy: 0.4962455552947223 Energy: 0.4847734197017577 Energy: 0.4956264839700136 Energy: 0.48739173934287344 Energy: 0.4890560827745794 Energy: 0.47205132934557453 Energy: 0.4771605058969489 Energy: 0.47716046408966445 Energy: 0.4747035827391981 Energy: 0.5003596653341634 Energy: 0.5003669721188276 Energy: 0.4826421103378519 Energy: 0.511997463569161 Energy: 0.5119927788665714 minimum gb energy = 0.45569942868169283 eV minimum distance = 2.53424376663168 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5020446200829896 Energy: 0.5259607168175603 Energy: 0.5259610569130158 Energy: 0.5091126922465815 Energy: 0.4773085744274675 Energy: 0.4773085965301737 Energy: 0.5144846014699012 Energy: 0.5161502351684738 Energy: 0.5161500989865787 Energy: 0.5124291620484528 Energy: 0.5282237097806278 Energy: 0.5282241092927369 Energy: 0.4773086425324723 Energy: 0.5123972891409779 Energy: 0.5124000773465051 Energy: 0.48671812294195527 Energy: 0.4803618169577763 Energy: 0.48036176698905975 Energy: 0.5134837286753375 Energy: 0.5109595615301734 Energy: 0.5109595430984083 Energy: 0.4690230954864063 Energy: 0.5046835380660518 Energy: 0.5046835769786048 Energy: 0.505205605932509 Energy: 0.48671811968692724 Energy: 0.48671781630323824 Energy: 0.5091127914862985 Energy: 0.5059991393269299 Energy: 0.5059991741968086 minimum gb energy = 0.4690230954864063 eV minimum distance = 2.54832641019292 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5320293903364949 Energy: 0.5421224779869639 Energy: 0.5421557088610285 Energy: 0.48578301361506965 Energy: 0.6119114626228656 Energy: 0.6119114601949367 Energy: 0.5044969557150709 Energy: 0.4952303852208589 Energy: 0.49522950382232817 Energy: 0.5164508922848338 Energy: 0.5084353610612757 Energy: 0.5084353564116159 Energy: 0.49571425440043787 Energy: 0.495229460360393 Energy: 0.4952304015684861 Energy: 0.5074267238084564 Energy: 0.496559955374263 Energy: 0.4965599557796462 Energy: 0.49207118859569826 Energy: 0.48478152671843977 Energy: 0.4847816322583907 Energy: 0.5196642587042547 Energy: 0.49207119984855274 Energy: 0.4920711934519928 Energy: 0.49330660932230536 Energy: 0.4967420196408592 Energy: 0.4967421142678243 Energy: 0.5361164440791253 Energy: 0.49571426387623724 Energy: 0.4957142494021886 minimum gb energy = 0.48478152671843977 eV minimum distance = 2.55528852502719 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5177914260445425 Energy: 0.519885660300736 Energy: 0.5198856622000908 Energy: 0.514867658566252 Energy: 0.5100740954054939 Energy: 0.5100740576548656 Energy: 0.5390091490938783 Energy: 0.5340314214054485 Energy: 0.5340325346769227 Energy: 0.49773530415558925 Energy: 0.4711187703780727 Energy: 0.47111877220656084 Energy: 0.4977353036508325 Energy: 0.5357689013749862 Energy: 0.5357682654531665 Energy: 0.478660810602385 Energy: 0.5174689163806581 Energy: 0.5174689163777834 Energy: 0.4638880029169958 Energy: 0.5198856602940283 Energy: 0.5198856603495848 Energy: 0.46388800290932986 Energy: 0.4786608105937608 Energy: 0.4786608118877866 Energy: 0.49593483656120174 Energy: 0.5357681060869408 Energy: 0.5357691994012397 Energy: 0.49593481309072196 Energy: 0.535768382636914 Energy: 0.5357682255005077 minimum gb energy = 0.46388800290932986 eV minimum distance = 2.544822390358 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5385277355108408 Energy: 0.5153501628530243 Energy: 0.5153501614022905 Energy: 0.5347616735281043 Energy: 0.5091780607401367 Energy: 0.5091780864151327 Energy: 0.5347617790184288 Energy: 0.49451508493392293 Energy: 0.49451544445125084 Energy: 0.5214885416862148 Energy: 0.5153501712951515 Energy: 0.5153501736948713 Energy: 0.5183011860779159 Energy: 0.49913649395560794 Energy: 0.4991363387123333 Energy: 0.518301534864927 Energy: 0.5151424272397346 Energy: 0.515142419965218 Energy: 0.4997666234460809 Energy: 0.515350160327782 Energy: 0.515350162213438 Energy: 0.5125270690782333 Energy: 0.5483988588867406 Energy: 0.5461243490589021 Energy: 0.5091359895204577 Energy: 0.5119226898765242 Energy: 0.5119227047632512 Energy: 0.4814269294214186 Energy: 0.5302815943051771 Energy: 0.5302813281458925 minimum gb energy = 0.4814269294214186 eV minimum distance = 2.42928412800965 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5347030963917343 Energy: 0.5177984738883817 Energy: 0.5177985862645579 Energy: 0.5136564176278795 Energy: 0.5177984474342828 Energy: 0.5177985644991411 Energy: 0.5469216286896004 Energy: 0.5578361371043924 Energy: 0.5578425063032251 Energy: 0.5152399850795547 Energy: 0.4979741547393727 Energy: 0.49797423865530455 Energy: 0.5251465250529183 Energy: 0.5296521211151008 Energy: 0.5446762418849063 Energy: 0.5574897911273166 Energy: 0.5124347999625464 Energy: 0.5124348290393915 Energy: 0.5205068812099278 Energy: 0.5144854642602927 Energy: 0.5144854612217095 Energy: 0.48875840759275685 Energy: 0.5144854208094856 Energy: 0.514485432808103 Energy: 0.5255218355585763 Energy: 0.5152400225119258 Energy: 0.5152399375280475 Energy: 0.5160960074600024 Energy: 0.5118946486911504 Energy: 0.5118946534693983 minimum gb energy = 0.48875840759275685 eV minimum distance = 2.5159263704757 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.5388663738550925 Energy: 0.5388682287539923 Energy: 0.538868242579618 Energy: 0.5039704610590822 Energy: 0.5212436285660297 Energy: 0.5212436230310917 Energy: 0.5650447330961089 Energy: 0.5197779814406328 Energy: 0.5197779827288312 Energy: 0.5052912619009544 Energy: 0.5040735891393628 Energy: 0.5040733335600736 Energy: 0.5068060245619892 Energy: 0.5424644469773827 Energy: 0.542463252793952 Energy: 0.5228362273846501 Energy: 0.5219374665651827 Energy: 0.5219374665692113 Energy: 0.5457094546433796 Energy: 0.5136556203343954 Energy: 0.5136555976953051 Energy: 0.5558931328952377 Energy: 0.5040734286629838 Energy: 0.5040734465208714 Energy: 0.5451224754467405 Energy: 0.5254713874265153 Energy: 0.525471377507568 Energy: 0.48597809983570256 Energy: 0.5121666262061686 Energy: 0.5121666675520681 minimum gb energy = 0.48597809983570256 eV minimum distance = 2.55527631146963 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.4902490228852793 Energy: 0.493004725517922 Energy: 0.493004725063075 Energy: 0.5870850629702749 Energy: 0.47777973840637644 Energy: 0.4777797365016643 Energy: 0.6013877353670573 Energy: 0.5247046130043727 Energy: 0.5247046089094299 Energy: 0.47777973652889366 Energy: 0.4800769558559896 Energy: 0.4800769558607298 Energy: 0.5375797172589515 Energy: 0.476460615029269 Energy: 0.4764606450843989 Energy: 0.4777797365052194 Energy: 0.4951841592937452 Energy: 0.49518446670241173 Energy: 0.5401992515874116 Energy: 0.5247046079238924 Energy: 0.5247046078859974 Energy: 0.4777797368202834 Energy: 0.4951841967249753 Energy: 0.49518446227462926 Energy: 0.4764606151560164 Energy: 0.5247046143559049 Energy: 0.5247046078812571 Energy: 0.47841391905151975 Energy: 0.4777797365075626 Energy: 0.4777797365064045 minimum gb energy = 0.476460615029269 eV minimum distance = 2.66408531261732 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5459719975484479 Energy: 0.5463644082075849 Energy: 0.5463644044049776 Energy: 0.5130564475470573 Energy: 0.574162960229437 Energy: 0.5741684365738972 Energy: 0.553955473511418 Energy: 0.5460962879305385 Energy: 0.5460902311532845 Energy: 0.5431587892054397 Energy: 0.5343559631563072 Energy: 0.534355788577437 Energy: 0.5329108061273287 Energy: 0.5770816362040232 Energy: 0.5770809904779051 Energy: 0.5779835570848375 Energy: 0.5578902479786003 Energy: 0.5578843571707722 Energy: 0.5380005761861528 Energy: 0.5318216035408297 Energy: 0.5318216019158988 Energy: 0.49791946851281776 Energy: 0.5073248698128974 Energy: 0.5073248696552685 Energy: 0.5915909475296477 Energy: 0.5545029416128274 Energy: 0.554502982085539 Energy: 0.5289901811957046 Energy: 0.5343556785145335 Energy: 0.5343561020076132 minimum gb energy = 0.49791946851281776 eV minimum distance = 2.43195101733998 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5480068083021652 Energy: 0.5107109634096262 Energy: 0.5107109758673574 Energy: 0.528752567570804 Energy: 0.5458345012412891 Energy: 0.5458344150052453 Energy: 0.5869036476177802 Energy: 0.5749482548198357 Energy: 0.5749483108764118 Energy: 0.5264866477001623 Energy: 0.5107109650215059 Energy: 0.5107109395963134 Energy: 0.5027546450019106 Energy: 0.5107109572576447 Energy: 0.5107109685755343 Energy: 0.5914488030773825 Energy: 0.5878800386544046 Energy: 0.5878810791440628 Energy: 0.5316546913895039 Energy: 0.5480899876726557 Energy: 0.5480886784411784 Energy: 0.5264867084416093 Energy: 0.5107109411627871 Energy: 0.5107109401291847 Energy: 0.5027546451257005 Energy: 0.5423653059924716 Energy: 0.5423652445279783 Energy: 0.5688096245966119 Energy: 0.5092708018099069 Energy: 0.5092706991024932 minimum gb energy = 0.5027546450019106 eV minimum distance = 2.43800035031651 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5611451184887393 Energy: 0.5090371543501465 Energy: 0.5090371471276373 Energy: 0.4976143423648135 Energy: 0.5185621825070954 Energy: 0.5185623152318658 Energy: 0.49716805439295014 Energy: 0.5508086529137497 Energy: 0.5508086648276092 Energy: 0.5331584876322332 Energy: 0.5129395205150287 Energy: 0.5129395203694479 Energy: 0.6428494370915674 Energy: 0.5036842369451126 Energy: 0.5036842364392712 Energy: 0.6046963750506389 Energy: 0.5592685834387597 Energy: 0.546610580605819 Energy: 0.4971680875764918 Energy: 0.5508089895216352 Energy: 0.5508129274349252 Energy: 0.5264721849172214 Energy: 0.5386425484856431 Energy: 0.5386425375358447 Energy: 0.5036842368706443 Energy: 0.5265428201339954 Energy: 0.5265426744911267 Energy: 0.49761433397567495 Energy: 0.5683288321598724 Energy: 0.5683284378081855 minimum gb energy = 0.49716805439295014 eV minimum distance = 2.56245445732545 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5550444731266506 Energy: 0.539905334495148 Energy: 0.5399054031818744 Energy: 0.6205603210391915 Energy: 0.5480928970015992 Energy: 0.5480930386947221 Energy: 0.5336819458508948 Energy: 0.5456306564891276 Energy: 0.5456306644800669 Energy: 0.4974392961289619 Energy: 0.599626496320267 Energy: 0.5996261199016467 Energy: 0.6538259145814749 Energy: 0.5887463379509253 Energy: 0.5887471144273809 Energy: 0.5246885574723413 Energy: 0.5996257325613727 Energy: 0.5996213665599993 Energy: 0.5336819458396839 Energy: 0.5456306580314613 Energy: 0.5456307572223632 Energy: 0.5806674839737909 Energy: 0.5480929214987534 Energy: 0.5480927454159455 Energy: 0.5550444737488215 Energy: 0.539905357803632 Energy: 0.539905334368829 Energy: 0.5982755974960322 Energy: 0.5580958304664945 Energy: 0.5580956595930561 minimum gb energy = 0.4974392961289619 eV minimum distance = 2.47054842119917 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5763191718703428 Energy: 0.5682656562621512 Energy: 0.5682656358437037 Energy: 0.5343742017624633 Energy: 0.5787136913789348 Energy: 0.578713721707168 Energy: 0.5277730345468463 Energy: 0.5609124491319646 Energy: 0.560914419930676 Energy: 0.5541338615535162 Energy: 0.531459290799356 Energy: 0.5314592906036711 Energy: 0.6391214194700285 Energy: 0.5763192096306862 Energy: 0.5763191651362256 Energy: 0.5541338618673568 Energy: 0.5314592906216001 Energy: 0.5314592905889425 Energy: 0.5277729611863362 Energy: 0.5609147048691395 Energy: 0.5609120083203543 Energy: 0.5343742000715779 Energy: 0.5787136923782606 Energy: 0.5787137001432511 Energy: 0.5763191863004773 Energy: 0.56826641456128 Energy: 0.5682656908622736 Energy: 0.5343741999419268 Energy: 0.5787136912482387 Energy: 0.5787136913010463 minimum gb energy = 0.5277729611863362 eV minimum distance = 2.44370149396215 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.48135577282338454 Energy: 0.4813557727399828 Energy: 0.48135579202232764 Energy: 0.556056431135524 Energy: 0.49071674881222077 Energy: 0.49071675498381 Energy: 0.4927610274038938 Energy: 0.5333893235596585 Energy: 0.53338744996407 Energy: 0.5726728434100226 Energy: 0.49071677502600636 Energy: 0.49071675958625244 Energy: 0.4813557773346995 Energy: 0.48135577374385896 Energy: 0.4813557730704644 Energy: 0.5560564479452439 Energy: 0.4907167476060032 Energy: 0.49071674760909345 Energy: 0.49276101710709586 Energy: 0.5333866593800309 Energy: 0.5333867125875752 Energy: 0.5726806829704605 Energy: 0.5114050156775367 Energy: 0.5114050156837172 Energy: 0.4813557749222643 Energy: 0.48135577273380226 Energy: 0.48135577838952975 Energy: 0.5560564381519467 Energy: 0.5114050158875687 Energy: 0.5114050161578606 minimum gb energy = 0.48135577273380226 eV minimum distance = 2.58245901015194 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.55509800255931 Energy: 0.5507214442063827 Energy: 0.5507213210663937 Energy: 0.6378972973998287 Energy: 0.5648137448125994 Energy: 0.5648163174173236 Energy: 0.5529649964455607 Energy: 0.5628284672428027 Energy: 0.5628284671475463 Energy: 0.5527681947969536 Energy: 0.5486229979618312 Energy: 0.5486229108346417 Energy: 0.5538498423287667 Energy: 0.5814374785716374 Energy: 0.5814374821164986 Energy: 0.553459283503474 Energy: 0.560317507320958 Energy: 0.5603175742087224 Energy: 0.6652421353648782 Energy: 0.5801949133900777 Energy: 0.5801949356762286 Energy: 0.549350244420985 Energy: 0.5808621995117017 Energy: 0.580862210938305 Energy: 0.6453610887794088 Energy: 0.5564690235642497 Energy: 0.556469056460961 Energy: 0.5534592781970584 Energy: 0.5569622571890777 Energy: 0.5569622578228249 minimum gb energy = 0.5486229108346417 eV minimum distance = 2.42668215157359 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5605445918639668 Energy: 0.558840782492012 Energy: 0.5588409090816031 Energy: 0.5211935731140934 Energy: 0.5646548936594736 Energy: 0.5646546836575117 Energy: 0.5130116900346945 Energy: 0.5599894187786758 Energy: 0.5599894945517584 Energy: 0.5298774720541792 Energy: 0.5842884961654686 Energy: 0.5842894829881655 Energy: 0.5653306131284699 Energy: 0.5588626845890665 Energy: 0.5588628585331437 Energy: 0.6118480534008499 Energy: 0.5534017563188622 Energy: 0.5534017542296223 Energy: 0.6725002246124412 Energy: 0.5129982777329032 Energy: 0.5129396723122871 Energy: 0.6208836408260161 Energy: 0.5091929342458953 Energy: 0.5091928969428914 Energy: 0.6256234859735372 Energy: 0.5662730946631589 Energy: 0.5662718496799685 Energy: 0.6025453427007004 Energy: 0.5686569824232659 Energy: 0.5686504175617818 minimum gb energy = 0.5091928969428914 eV minimum distance = 2.54575973623629 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5289881577086227 Energy: 0.582598459580905 Energy: 0.5825987130181032 Energy: 0.6547488237314989 Energy: 0.5499705022304439 Energy: 0.5499704972447661 Energy: 0.5969589815255764 Energy: 0.5665637358248252 Energy: 0.5665647686573175 Energy: 0.5439209116219901 Energy: 0.625618165369925 Energy: 0.626106144455264 Energy: 0.5969491431676562 Energy: 0.5798301416605733 Energy: 0.5798305142475364 Energy: 0.5439210843156849 Energy: 0.5535017934872657 Energy: 0.553501819205183 Energy: 0.6684942333013496 Energy: 0.5972251188886912 Energy: 0.5972247029378108 Energy: 0.5439206588409949 Energy: 0.552885695800326 Energy: 0.5528868092185614 Energy: 0.6154324382839016 Energy: 0.5469850418828834 Energy: 0.5469224503253307 Energy: 0.541383650521784 Energy: 0.5469776482728123 Energy: 0.5469790197801292 minimum gb energy = 0.5289881577086227 eV minimum distance = 2.5346479524205 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5604646304649318 Energy: 0.565218012713015 Energy: 0.565218010543904 Energy: 0.5512935788830146 Energy: 0.5731907137623952 Energy: 0.5731805978061452 Energy: 0.5583795844284036 Energy: 0.5765205045436924 Energy: 0.5765204983621279 Energy: 0.5198817273579588 Energy: 0.5651069218806616 Energy: 0.5651069330855983 Energy: 0.560464700317029 Energy: 0.5619340519078706 Energy: 0.5619339037888356 Energy: 0.5358678094044697 Energy: 0.5653320171324577 Energy: 0.5653320176093267 Energy: 0.5329222126129735 Energy: 0.5757514352862046 Energy: 0.5757815372820625 Energy: 0.5359052856479365 Energy: 0.5523621592909629 Energy: 0.5523620136166426 Energy: 0.5496918890980083 Energy: 0.548468612232662 Energy: 0.5479037335519784 Energy: 0.5329222118734807 Energy: 0.5758971764059234 Energy: 0.5758680996287958 minimum gb energy = 0.5198817273579588 eV minimum distance = 2.42177292526786 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5463823602200975 Energy: 0.5539622539881803 Energy: 0.5539622641738662 Energy: 0.5501022580144902 Energy: 0.5400621635924147 Energy: 0.5400621394200728 Energy: 0.5455996074960342 Energy: 0.5639694597005852 Energy: 0.5639776230893637 Energy: 0.5329468943634481 Energy: 0.5703197868513207 Energy: 0.570319735303391 Energy: 0.645623909009348 Energy: 0.5123023892470168 Energy: 0.5123023716925331 Energy: 0.5702083237772947 Energy: 0.5731461607407319 Energy: 0.5731460912066357 Energy: 0.6014223878408012 Energy: 0.5261007209808739 Energy: 0.5261007132175733 Energy: 0.5766973093677451 Energy: 0.5601678586033989 Energy: 0.5601678129858808 Energy: 0.546382351675029 Energy: 0.5837027716296305 Energy: 0.5836950328369305 Energy: 0.545636255276972 Energy: 0.5635317343935952 Energy: 0.5635317223160438 minimum gb energy = 0.5123023716925331 eV minimum distance = 2.4189672162703 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5302255420617128 Energy: 0.5357063372367274 Energy: 0.5357063515594864 Energy: 0.5329080517073939 Energy: 0.5855460627842236 Energy: 0.5855457037202216 Energy: 0.6253568377183988 Energy: 0.571737202210049 Energy: 0.5717540947336365 Energy: 0.5193883438647819 Energy: 0.5615917640263807 Energy: 0.5615915085374891 Energy: 0.5329080517081456 Energy: 0.5564767822464798 Energy: 0.5564767820488824 Energy: 0.5478995580331854 Energy: 0.5848062414207336 Energy: 0.584812882207945 Energy: 0.5798334108626519 Energy: 0.5231653228692891 Energy: 0.5231653334527988 Energy: 0.668686767728108 Energy: 0.5354936482343841 Energy: 0.5354934847670102 Energy: 0.5621315188626648 Energy: 0.5634780355697788 Energy: 0.5634780097701018 Energy: 0.547899557436566 Energy: 0.5708235207257883 Energy: 0.5708226037198356 minimum gb energy = 0.5193883438647819 eV minimum distance = 2.41916521848505 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5243354159390498 Energy: 0.5350689633372977 Energy: 0.535068971574066 Energy: 0.5677779465032647 Energy: 0.5203206832033787 Energy: 0.5203206884562205 Energy: 0.5758264099703061 Energy: 0.5645296800355692 Energy: 0.5645303667014653 Energy: 0.5407224658008228 Energy: 0.536054553450728 Energy: 0.5360547683420374 Energy: 0.5243353733744139 Energy: 0.5416283120051415 Energy: 0.541626357884549 Energy: 0.589216607931194 Energy: 0.543383013129567 Energy: 0.5433830159499782 Energy: 0.5415496359008881 Energy: 0.5818034792036482 Energy: 0.5818034563831734 Energy: 0.5407224662978425 Energy: 0.5583859362014545 Energy: 0.5583859589936998 Energy: 0.6569780255075193 Energy: 0.546500835618833 Energy: 0.54650080389079 Energy: 0.5409404805483644 Energy: 0.555159150539299 Energy: 0.5551591489322015 minimum gb energy = 0.5203206832033787 eV minimum distance = 2.52167773623019 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5293763690125991 Energy: 0.5384339893031914 Energy: 0.5384340371080336 Energy: 0.5391582829595748 Energy: 0.5594125363396072 Energy: 0.5594124951142722 Energy: 0.625798002376811 Energy: 0.5383424921546937 Energy: 0.5383424928796913 Energy: 0.5408952989411996 Energy: 0.5546205727633724 Energy: 0.5546205596634858 Energy: 0.5386232574471602 Energy: 0.5884129295913587 Energy: 0.5884128200477361 Energy: 0.5570997808231368 Energy: 0.5730931352932402 Energy: 0.5730931578993698 Energy: 0.5336779642279526 Energy: 0.5444867174143327 Energy: 0.5444866561049583 Energy: 0.555594426428241 Energy: 0.5740337315038732 Energy: 0.5740337315564609 Energy: 0.5650337497431803 Energy: 0.5856027235992449 Energy: 0.5856028883131458 Energy: 0.6580383536917469 Energy: 0.5776966076377623 Energy: 0.5776966169704117 minimum gb energy = 0.5293763690125991 eV minimum distance = 2.42163607966888 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5365075010271324 Energy: 0.5400253758405316 Energy: 0.5400247057501656 Energy: 0.5352866478801973 Energy: 0.5676937359197257 Energy: 0.5676937032507585 Energy: 0.5424768217949533 Energy: 0.5502771976741782 Energy: 0.5502790982522286 Energy: 0.5536600884027122 Energy: 0.5579191178055323 Energy: 0.5579191300551796 Energy: 0.6543134969990666 Energy: 0.5282433657822321 Energy: 0.5282433640243814 Energy: 0.5525341340116773 Energy: 0.5412054135066582 Energy: 0.5412054108555174 Energy: 0.5240425309357652 Energy: 0.5245670158603598 Energy: 0.5245670168854036 Energy: 0.5518678000303813 Energy: 0.535387757446267 Energy: 0.5353878185340202 Energy: 0.532716666162439 Energy: 0.5791984474946865 Energy: 0.5791999129180236 Energy: 0.5233826124066789 Energy: 0.5768393659770727 Energy: 0.5768435579597939 minimum gb energy = 0.5233826124066789 eV minimum distance = 2.52727095740669 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5313233723615446 Energy: 0.5344479141167304 Energy: 0.5344479141296983 Energy: 0.5827647809357933 Energy: 0.5207311741307309 Energy: 0.5207311513821143 Energy: 0.5256525229974849 Energy: 0.5608188271464525 Energy: 0.5608188210968786 Energy: 0.6597855698501595 Energy: 0.525226815695071 Energy: 0.52522668731491 Energy: 0.5354367894631429 Energy: 0.5686519807904012 Energy: 0.568651979584228 Energy: 0.5745517860675294 Energy: 0.5236949128369747 Energy: 0.5236948701886548 Energy: 0.5295153900518706 Energy: 0.5612082210971352 Energy: 0.5612080420928454 Energy: 0.5283849345014432 Energy: 0.5268599905872678 Energy: 0.5268613623907912 Energy: 0.5535261157142609 Energy: 0.5211794300729466 Energy: 0.5211794223495471 Energy: 0.5217777408141504 Energy: 0.5564733928624526 Energy: 0.5577488789040004 minimum gb energy = 0.5207311513821143 eV minimum distance = 2.51899725048818 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5292424930977595 Energy: 0.5352943919137065 Energy: 0.5352888783633993 Energy: 0.5266809992108087 Energy: 0.5577775775969931 Energy: 0.5577777643039394 Energy: 0.5259892504163096 Energy: 0.5611355148692334 Energy: 0.5611355097684185 Energy: 0.5209258913808966 Energy: 0.5570585724413656 Energy: 0.5570578075818085 Energy: 0.5240603735483415 Energy: 0.5608274875697211 Energy: 0.5605209386048462 Energy: 0.5465642548421159 Energy: 0.5409853174188073 Energy: 0.5409853174719131 Energy: 0.5556917897608802 Energy: 0.524082735513809 Energy: 0.5240827378532557 Energy: 0.5809384925834612 Energy: 0.5255576302139253 Energy: 0.5255576297456872 Energy: 0.5488380997943899 Energy: 0.5255576297026174 Energy: 0.5255576297164911 Energy: 0.6022278006114181 Energy: 0.5287681215200826 Energy: 0.5287681218756152 minimum gb energy = 0.5209258913808966 eV minimum distance = 2.50081444253644 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.48899634420070465 Energy: 0.5153171887528321 Energy: 0.5153171886779165 Energy: 0.4660450136356412 Energy: 0.48899634426928823 Energy: 0.4889963442850312 Energy: 0.48967126148736884 Energy: 0.5028719525513257 Energy: 0.5028719527120825 Energy: 0.48899634420269117 Energy: 0.4660479181810032 Energy: 0.46604791817640945 Energy: 0.48899634420639104 Energy: 0.4889963445539027 Energy: 0.48899634420159854 Energy: 0.4889963442083527 Energy: 0.4891110247448881 Energy: 0.489111024742703 Energy: 0.4660507832953426 Energy: 0.5028719534774029 Energy: 0.5028719525362532 Energy: 0.4889963470739898 Energy: 0.5027659034867867 Energy: 0.5027659034896174 Energy: 0.48899634451109386 Energy: 0.4889963443282622 Energy: 0.4889963442282424 Energy: 0.4660479181818723 Energy: 0.5028719525246819 Energy: 0.5028719525301447 minimum gb energy = 0.4660450136356412 eV minimum distance = 2.59701592863271 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5046961969770447 Energy: 0.5189374499072218 Energy: 0.5189374083080134 Energy: 0.4974585674876047 Energy: 0.5559160963736454 Energy: 0.555916097359048 Energy: 0.494856533749715 Energy: 0.49916707482358647 Energy: 0.49916707484454187 Energy: 0.5007957692883411 Energy: 0.493652621082726 Energy: 0.4936526210968095 Energy: 0.5242131117902329 Energy: 0.5246698893057982 Energy: 0.5246698889041695 Energy: 0.6397421696887255 Energy: 0.493320772486729 Energy: 0.49332077244850225 Energy: 0.49271284316449643 Energy: 0.5003703608678107 Energy: 0.5003703707922807 Energy: 0.5005899745865421 Energy: 0.4986068804346338 Energy: 0.49860690793902845 Energy: 0.5106229286590541 Energy: 0.5035293030326617 Energy: 0.5035292944877501 Energy: 0.5103874383935322 Energy: 0.5601342581304193 Energy: 0.5601342581962121 minimum gb energy = 0.49271284316449643 eV minimum distance = 2.53709604344581 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.49969801572266115 Energy: 0.5218424635332006 Energy: 0.5218424122175271 Energy: 0.49114181094848286 Energy: 0.49195293850132854 Energy: 0.4919529391638802 Energy: 0.5475248964855179 Energy: 0.49023425358446654 Energy: 0.490234401959139 Energy: 0.5190175440063458 Energy: 0.49768664048652633 Energy: 0.4976865853922953 Energy: 0.49490441631226423 Energy: 0.5515192021275153 Energy: 0.5515192803189977 Energy: 0.5656369797357231 Energy: 0.5129330247037986 Energy: 0.5129330215696218 Energy: 0.49192090097487134 Energy: 0.4944883835010413 Energy: 0.494488172029501 Energy: 0.5065121520400266 Energy: 0.6139385760530344 Energy: 0.6139385784667467 Energy: 0.5034564838490649 Energy: 0.494488496124034 Energy: 0.4944882454937705 Energy: 0.5121336966385173 Energy: 0.49198270673551325 Energy: 0.4919827407823324 minimum gb energy = 0.49023425358446654 eV minimum distance = 2.54774584262611 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.49743298576402395 Energy: 0.5223348288568469 Energy: 0.5223348281443283 Energy: 0.5211516532442548 Energy: 0.5259908311451025 Energy: 0.5259908273357569 Energy: 0.5192720375254595 Energy: 0.5263144294671145 Energy: 0.5263145126126311 Energy: 0.4902039665284317 Energy: 0.5253802850172337 Energy: 0.5253802850632306 Energy: 0.49772022877253375 Energy: 0.5165090275158494 Energy: 0.5165093706165955 Energy: 0.5429376711073401 Energy: 0.48666233417863103 Energy: 0.4866623342912748 Energy: 0.489587729574786 Energy: 0.4929109748215283 Energy: 0.49291115533999624 Energy: 0.4896869507571759 Energy: 0.5599858649602187 Energy: 0.559985863023791 Energy: 0.5210481792956961 Energy: 0.49020396597767346 Energy: 0.4902039289799727 Energy: 0.48593643390193964 Energy: 0.5027364852838474 Energy: 0.5027362298598232 minimum gb energy = 0.48593643390193964 eV minimum distance = 2.51515480998461 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.49439083091667846 Energy: 0.5228307743776881 Energy: 0.5228307943653366 Energy: 0.49855124140047596 Energy: 0.48856304570770703 Energy: 0.4885630791613194 Energy: 0.48102496879805134 Energy: 0.48856306024812446 Energy: 0.488563060422706 Energy: 0.5010820608801548 Energy: 0.49322854546198597 Energy: 0.4932285597846781 Energy: 0.5706953633294514 Energy: 0.4836989910738292 Energy: 0.48369884152543163 Energy: 0.6281724615912458 Energy: 0.4805847413752781 Energy: 0.4805847445279483 Energy: 0.5592902476398884 Energy: 0.4810249675376477 Energy: 0.48102496909026443 Energy: 0.49077762466823316 Energy: 0.48369883219122245 Energy: 0.48369883758292753 Energy: 0.5047795225482945 Energy: 0.4860685147633609 Energy: 0.48606851472539436 Energy: 0.48489813274841986 Energy: 0.5552462273117625 Energy: 0.555246042798403 minimum gb energy = 0.4805847413752781 eV minimum distance = 2.53116248289093 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.48988903993708965 Energy: 0.521588684208897 Energy: 0.5215886845063293 Energy: 0.5378731228112836 Energy: 0.480277393565874 Energy: 0.4802774220514602 Energy: 0.484348155800186 Energy: 0.591315436775197 Energy: 0.591315461746031 Energy: 0.6375835944919578 Energy: 0.48189573341085173 Energy: 0.4818957334302453 Energy: 0.5019480933299855 Energy: 0.5815951662884372 Energy: 0.5815957103888442 Energy: 0.6472561899711438 Energy: 0.4919022257124508 Energy: 0.4919022678801661 Energy: 0.4886230140354237 Energy: 0.5815953122104597 Energy: 0.5815950992310434 Energy: 0.5722268704885654 Energy: 0.5128853112834055 Energy: 0.512885327285076 Energy: 0.48189573359440185 Energy: 0.5852470811682717 Energy: 0.5852472065507235 Energy: 0.5936283593591547 Energy: 0.4777851606181237 Energy: 0.4777851612305635 minimum gb energy = 0.4777851606181237 eV minimum distance = 2.55256982624592 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.4922514885539655 Energy: 0.47893714627476774 Energy: 0.4789371516619846 Energy: 0.5201281367971562 Energy: 0.48165334460007964 Energy: 0.48165345607274124 Energy: 0.48679120355629946 Energy: 0.48387129175702054 Energy: 0.48387138459448226 Energy: 0.4789371468256426 Energy: 0.4784613066779056 Energy: 0.478461781462162 Energy: 0.5492341142223746 Energy: 0.5130911290746946 Energy: 0.5130911356058665 Energy: 0.4904083439751666 Energy: 0.5830018201590158 Energy: 0.5829583077273295 Energy: 0.539719301757231 Energy: 0.5236827720008446 Energy: 0.5236827374022631 Energy: 0.47409106026015124 Energy: 0.5625713743283794 Energy: 0.562572039364147 Energy: 0.48225867044321513 Energy: 0.4784252474485485 Energy: 0.4784252402075605 Energy: 0.48518478939441795 Energy: 0.49445241112520233 Energy: 0.49445241111711297 minimum gb energy = 0.47409106026015124 eV minimum distance = 2.51663510192635 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.4706644206124705 Energy: 0.470664419742227 Energy: 0.47066441968358863 Energy: 0.4574949018485544 Energy: 0.491859723736511 Energy: 0.4918597200578159 Energy: 0.46808056176328544 Energy: 0.49935069620105754 Energy: 0.4993506551297922 Energy: 0.4574948984847809 Energy: 0.5905089482010704 Energy: 0.5905090015991508 Energy: 0.47066441967269507 Energy: 0.4772624998641862 Energy: 0.47726254477998714 Energy: 0.643290095696281 Energy: 0.4578758226236036 Energy: 0.4578758235508095 Energy: 0.520033211153245 Energy: 0.4578758227324816 Energy: 0.457875847948156 Energy: 0.4706644226260382 Energy: 0.4578758457712618 Energy: 0.4578758815548099 Energy: 0.457494865166253 Energy: 0.5196086769228461 Energy: 0.5196086892178374 Energy: 0.46808059086034687 Energy: 0.49935065048869676 Energy: 0.499350673899361 minimum gb energy = 0.457494865166253 eV minimum distance = 2.53232184181687 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.4796219240107413 Energy: 0.482903219662475 Energy: 0.48290321966599614 Energy: 0.4693360997376596 Energy: 0.4991860856019084 Energy: 0.49918608813148757 Energy: 0.4703745949594358 Energy: 0.5586349957288593 Energy: 0.5586349957371819 Energy: 0.5194279660424272 Energy: 0.4675101400501345 Energy: 0.46751006320190325 Energy: 0.5641992119703817 Energy: 0.460299556332883 Energy: 0.46029955633480363 Energy: 0.5289682803826855 Energy: 0.47412446162638044 Energy: 0.4741244822121567 Energy: 0.4741244683982801 Energy: 0.4689728724786213 Energy: 0.4689728725275676 Energy: 0.4574275288394264 Energy: 0.56371700427794 Energy: 0.5637170331516114 Energy: 0.467260449510768 Energy: 0.4935796222322844 Energy: 0.49357962114603815 Energy: 0.4589755494969298 Energy: 0.5707757388738854 Energy: 0.5707757385641445 minimum gb energy = 0.4574275288394264 eV minimum distance = 2.52038055447642 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.472836679409262 Energy: 0.6207618997476472 Energy: 0.6207618972870191 Energy: 0.46289789636548523 Energy: 0.5262346471441077 Energy: 0.5262346471109604 Energy: 0.4931420634928256 Energy: 0.4627567035960084 Energy: 0.46275670359139415 Energy: 0.4900417744751883 Energy: 0.46288289189563087 Energy: 0.5424125789185431 Energy: 0.4638297511604369 Energy: 0.5210775308624062 Energy: 0.5210775308406533 Energy: 0.4625990902555742 Energy: 0.5608082123598783 Energy: 0.5608084522683285 Energy: 0.4638297598955721 Energy: 0.46756284762052963 Energy: 0.467562847681598 Energy: 0.5812322316962163 Energy: 0.47466272548171157 Energy: 0.47466268702090975 Energy: 0.45611799099261613 Energy: 0.4642562752517022 Energy: 0.46425627527345525 Energy: 0.4586799493066321 Energy: 0.6164208986645381 Energy: 0.6164209015993526 minimum gb energy = 0.45611799099261613 eV minimum distance = 2.61214890012218 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.4942079931737285 Energy: 0.47329977065645573 Energy: 0.4732997711018272 Energy: 0.4951185857741544 Energy: 0.4581770803841351 Energy: 0.45817710108165927 Energy: 0.4544441630374371 Energy: 0.6122490808880332 Energy: 0.6122490633201351 Energy: 0.5179041426060671 Energy: 0.44901465382339817 Energy: 0.4490147504356125 Energy: 0.4477958602781364 Energy: 0.6055575232564159 Energy: 0.6055567126335986 Energy: 0.5914575202786131 Energy: 0.44603115639748425 Energy: 0.4460311975487076 Energy: 0.45658792940530857 Energy: 0.5850332474651024 Energy: 0.5850333090243057 Energy: 0.5135450664927581 Energy: 0.4573578772499677 Energy: 0.45735787730914385 Energy: 0.4544483149899468 Energy: 0.44697756518300596 Energy: 0.44697755686951945 Energy: 0.5952697179067281 Energy: 0.4525669683999045 Energy: 0.45256698000184226 minimum gb energy = 0.44603115639748425 eV minimum distance = 2.54321340543851 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.48671380305056827 Energy: 0.5849467782410888 Energy: 0.5849468083295031 Energy: 0.4491085340863439 Energy: 0.549728658533494 Energy: 0.54972865919522 Energy: 0.4553311002547991 Energy: 0.452579308594835 Energy: 0.4525793085431919 Energy: 0.49875449532727273 Energy: 0.4589132231444422 Energy: 0.4589132231203954 Energy: 0.44820307160808615 Energy: 0.4493725934801811 Energy: 0.4493725931729378 Energy: 0.45384335560360906 Energy: 0.5200500689577083 Energy: 0.5200500837448606 Energy: 0.45120100994468343 Energy: 0.4813383452211126 Energy: 0.48133834530267405 Energy: 0.44660820429980996 Energy: 0.5352817920375749 Energy: 0.5352817920496116 Energy: 0.4796381995311926 Energy: 0.4588474336070632 Energy: 0.45884685851132356 Energy: 0.5417699113142551 Energy: 0.4486474016888262 Energy: 0.448647485703648 minimum gb energy = 0.44660820429980996 eV minimum distance = 2.53786651609818 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.41181981863713407 Energy: 0.41181981951218644 Energy: 0.41181981864797534 Energy: 0.43540871236765927 Energy: 0.41181981895274916 Energy: 0.41181981994699457 Energy: 0.4158144350504592 Energy: 0.4258400505985954 Energy: 0.4258400519694076 Energy: 0.4216976572384799 Energy: 0.42584005047938694 Energy: 0.4258400506663229 Energy: 0.42169765730891773 Energy: 0.4258400505268024 Energy: 0.42584005374253475 Energy: 0.620264286468309 Energy: 0.4216976574714761 Energy: 0.4216976573766452 Energy: 0.4216976573102729 Energy: 0.45138526666367157 Energy: 0.4513852665092442 Energy: 0.41181981868588924 Energy: 0.4860975609498317 Energy: 0.486097560944411 Energy: 0.41181981868048395 Energy: 0.42584005083157617 Energy: 0.42584005070831765 Energy: 0.4216976584765628 Energy: 0.42584005063923497 Energy: 0.42584005188001284 minimum gb energy = 0.41181981863713407 eV minimum distance = 2.57174733791068 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5144065904095536 Energy: 0.43519485241435063 Energy: 0.43519489846557496 Energy: 0.4212993566916988 Energy: 0.5074012912653443 Energy: 0.507401291261018 Energy: 0.4259960263916312 Energy: 0.5060748577354899 Energy: 0.5060754885235893 Energy: 0.4233036732191155 Energy: 0.47035918684690825 Energy: 0.470359186832075 Energy: 0.4183791399470889 Energy: 0.42481038121051884 Energy: 0.42481038119414044 Energy: 0.41703521305724633 Energy: 0.4220960976233698 Energy: 0.4220962690084588 Energy: 0.41597533230464573 Energy: 0.42209609762275163 Energy: 0.4220960976005019 Energy: 0.5149995271361144 Energy: 0.42376521033890835 Energy: 0.42376520829776726 Energy: 0.5143041197563986 Energy: 0.4220960976085365 Energy: 0.4220960976557893 Energy: 0.5259668825484177 Energy: 0.41944852521672493 Energy: 0.41944852695976886 minimum gb energy = 0.41597533230464573 eV minimum distance = 2.55599411843828 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4349464156302693 Energy: 0.4297843557364626 Energy: 0.42978431807381917 Energy: 0.4267448466064956 Energy: 0.42340572274354055 Energy: 0.4234055121450006 Energy: 0.4157050876726258 Energy: 0.41680239023084786 Energy: 0.41680239040209777 Energy: 0.40770479932552184 Energy: 0.4571427755748984 Energy: 0.45714277559090993 Energy: 0.5380479247422502 Energy: 0.41150744148434965 Energy: 0.4115074980153415 Energy: 0.4157050873809442 Energy: 0.44594299721927 Energy: 0.4459431114375725 Energy: 0.413828266627897 Energy: 0.41075644523563154 Energy: 0.41075644696330516 Energy: 0.4728378162806397 Energy: 0.4162609940136466 Energy: 0.41626098807763207 Energy: 0.4175938401071779 Energy: 0.45261203765374136 Energy: 0.4526118454902212 Energy: 0.41002917271172623 Energy: 0.42340554649994816 Energy: 0.4234056191253198 minimum gb energy = 0.40770479932552184 eV minimum distance = 2.55132067723427 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.42284272320770705 Energy: 0.4070171887300271 Energy: 0.40701718871642095 Energy: 0.40407281575079373 Energy: 0.4125539193335497 Energy: 0.4125539192551916 Energy: 0.4074047936623629 Energy: 0.412553918793614 Energy: 0.41255391923190354 Energy: 0.4070171887226689 Energy: 0.4139567375274735 Energy: 0.4139567375422156 Energy: 0.4947745626656306 Energy: 0.41395673753823964 Energy: 0.41395673754391965 Energy: 0.40407282235880315 Energy: 0.4125539193255977 Energy: 0.41255391890318643 Energy: 0.41030996202939707 Energy: 0.44036881435151015 Energy: 0.4403688145933749 Energy: 0.5813419580562701 Energy: 0.4139567375643677 Energy: 0.4139567389394442 Energy: 0.40812459178202826 Energy: 0.4065350217197854 Energy: 0.40653502170899347 Energy: 0.4103099619987509 Energy: 0.4337893390658334 Energy: 0.43378933940818243 minimum gb energy = 0.40407281575079373 eV minimum distance = 2.57714454350092 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.506354003734409 Energy: 0.402055052892612 Energy: 0.40205509797592376 Energy: 0.39775372879989207 Energy: 0.40418645000827663 Energy: 0.40418644306162305 Energy: 0.3950688059840953 Energy: 0.45439140754323726 Energy: 0.45439144899452205 Energy: 0.39672208236255263 Energy: 0.4025711300355207 Energy: 0.40257113020569996 Energy: 0.3944116037467055 Energy: 0.3998562159857878 Energy: 0.39985603100636147 Energy: 0.49974067669825595 Energy: 0.4058954012727079 Energy: 0.4058954018037875 Energy: 0.39948320507186785 Energy: 0.4334073073072409 Energy: 0.4334073073679516 Energy: 0.6111021134740551 Energy: 0.39891389884726564 Energy: 0.39891390490771966 Energy: 0.4020285393888985 Energy: 0.4406902966505652 Energy: 0.4406903029472977 Energy: 0.3950688066358124 Energy: 0.4303428246986768 Energy: 0.4303428247924044 minimum gb energy = 0.3944116037467055 eV minimum distance = 2.56133581505074 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.48301506515383863 Energy: 0.4114358670314778 Energy: 0.41143585196800203 Energy: 0.4001816747621309 Energy: 0.4054079517137377 Energy: 0.4054079533592577 Energy: 0.474022234454251 Energy: 0.4046415043063013 Energy: 0.40464150872309007 Energy: 0.4022898335875963 Energy: 0.4276132780580888 Energy: 0.4276132768314233 Energy: 0.4717167073628138 Energy: 0.3976621608221967 Energy: 0.3976621405911942 Energy: 0.3981269989602621 Energy: 0.46985409383694826 Energy: 0.4698540138411522 Energy: 0.39870595539015163 Energy: 0.40066335044810764 Energy: 0.4006633771399753 Energy: 0.560726522877333 Energy: 0.4017158786779605 Energy: 0.40171589353272547 Energy: 0.40073913888272594 Energy: 0.40106452229035205 Energy: 0.4010645263797944 Energy: 0.47402219602896745 Energy: 0.4046415043204382 Energy: 0.4046415043267425 minimum gb energy = 0.3976621405911942 eV minimum distance = 2.54580583225764 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4590155999751417 Energy: 0.5249973652035189 Energy: 0.524997431772768 Energy: 0.38446464841201455 Energy: 0.529953393130624 Energy: 0.5299533484756733 Energy: 0.3791695979575175 Energy: 0.37426385796921063 Energy: 0.3742638599628369 Energy: 0.3852311718846739 Energy: 0.42574688178722037 Energy: 0.42574689368257146 Energy: 0.3806477153270428 Energy: 0.38446465079442066 Energy: 0.38446464909480554 Energy: 0.3791695972454319 Energy: 0.38452759081792 Energy: 0.3845275930977398 Energy: 0.4397462651116085 Energy: 0.3845275966464186 Energy: 0.38452759430505595 Energy: 0.4590156017216635 Energy: 0.3845275936369455 Energy: 0.3845275988276054 Energy: 0.43974626678290635 Energy: 0.42574685892934544 Energy: 0.4257468996146336 Energy: 0.3791696018050936 Energy: 0.38452759469576797 Energy: 0.3845276041091027 minimum gb energy = 0.37426385796921063 eV minimum distance = 2.57712405941615 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.46522116123900537 Energy: 0.3815374630050108 Energy: 0.38153746307109304 Energy: 0.3735728918195207 Energy: 0.38478011425239683 Energy: 0.38478014017055745 Energy: 0.4732940691387649 Energy: 0.38070398402340666 Energy: 0.380704005671404 Energy: 0.3697477882968921 Energy: 0.4201465408981376 Energy: 0.4201465408826461 Energy: 0.37814648445285853 Energy: 0.40876803457418887 Energy: 0.4087680345351624 Energy: 0.3847802789210465 Energy: 0.402663483329078 Energy: 0.4026635361153055 Energy: 0.3722965765598608 Energy: 0.38371955638620703 Energy: 0.3837195564225252 Energy: 0.5988999368225731 Energy: 0.37590255050154486 Energy: 0.3759025473495539 Energy: 0.37329849668123455 Energy: 0.38107723216622996 Energy: 0.3810772328934062 Energy: 0.3734990743414659 Energy: 0.3882432784041784 Energy: 0.3882432717157545 minimum gb energy = 0.3697477882968921 eV minimum distance = 2.54666664430076 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.485366219181424 Energy: 0.37292489832230136 Energy: 0.3729248958575662 Energy: 0.3612468835700006 Energy: 0.3814050264680764 Energy: 0.3814050166374196 Energy: 0.5130023040174676 Energy: 0.368751009243988 Energy: 0.368751008787806 Energy: 0.3692204472466932 Energy: 0.37428309179030633 Energy: 0.37428309256218695 Energy: 0.3692204441051747 Energy: 0.5089476085849374 Energy: 0.5089475942167502 Energy: 0.36403286033926047 Energy: 0.3814050162270525 Energy: 0.3814050224004609 Energy: 0.518270640542066 Energy: 0.36176349188815876 Energy: 0.3617634914422422 Energy: 0.4853662194954083 Energy: 0.37428309179630587 Energy: 0.37428309179030633 Energy: 0.3612468823877528 Energy: 0.38232443567385316 Energy: 0.3823246693131627 Energy: 0.3640328222430205 Energy: 0.4757725990760052 Energy: 0.4757680716928832 minimum gb energy = 0.3612468823877528 eV minimum distance = 2.57052162376298 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5149031324101186 Energy: 0.5859329034353591 Energy: 0.5859302399224221 Energy: 0.46037998142353215 Energy: 0.3709275460487145 Energy: 0.3709275397140775 Energy: 0.3669750887508163 Energy: 0.6024562273390756 Energy: 0.6024560357781668 Energy: 0.46634388460498444 Energy: 0.3628691519140103 Energy: 0.36286922920965414 Energy: 0.36624358148782876 Energy: 0.3999111060485268 Energy: 0.3999113868888225 Energy: 0.5452114123054316 Energy: 0.36469589980685885 Energy: 0.3646958988426548 Energy: 0.3648507120922607 Energy: 0.3908525115429307 Energy: 0.3908525114891919 Energy: 0.5927460407148014 Energy: 0.3646958984528617 Energy: 0.3646958999574471 Energy: 0.3648507145256235 Energy: 0.4835528087596901 Energy: 0.4835527978731757 Energy: 0.43300784287757654 Energy: 0.36420090233599783 Energy: 0.3642009159047598 minimum gb energy = 0.3628691519140103 eV minimum distance = 2.55979774744093 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.3681931732736142 Energy: 0.3504426871504877 Energy: 0.35044268782397864 Energy: 0.3478110475332886 Energy: 0.3569976339570109 Energy: 0.3569977882801932 Energy: 0.4643845563111609 Energy: 0.3504426867454636 Energy: 0.3504426867485159 Energy: 0.3504426882907779 Energy: 0.4724058959200525 Energy: 0.4724061564051721 Energy: 0.3504426957870371 Energy: 0.4644523817621795 Energy: 0.4644522745247795 Energy: 0.3438282400251312 Energy: 0.4566760964262764 Energy: 0.4566760913692844 Energy: 0.34781104370201754 Energy: 0.35044268661886097 Energy: 0.3504426871588816 Energy: 0.368193173174448 Energy: 0.4791817490799595 Energy: 0.4791816658698182 Energy: 0.34781104647000055 Energy: 0.45888828134550025 Energy: 0.45888838144816946 Energy: 0.3411746045387291 Energy: 0.3478110471358954 Energy: 0.3478110435715649 minimum gb energy = 0.3411746045387291 eV minimum distance = 2.56935103331603 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.46642764898501016 Energy: 0.5443923075694443 Energy: 0.5443904732485177 Energy: 0.33366867948235307 Energy: 0.35068548822773044 Energy: 0.35068550061606946 Energy: 0.3347321935970638 Energy: 0.3536386195909827 Energy: 0.35363862198679813 Energy: 0.5547451272136885 Energy: 0.34636162059857023 Energy: 0.346361620603727 Energy: 0.4489602791083496 Energy: 0.3487075654619002 Energy: 0.34870756546327536 Energy: 0.34187292507922296 Energy: 0.5393341821972829 Energy: 0.5393253601154231 Energy: 0.3391673342006384 Energy: 0.42810244602152264 Energy: 0.4281025993787122 Energy: 0.545977472991371 Energy: 0.35068548820057127 Energy: 0.35068548821397894 Energy: 0.43166287725054 Energy: 0.3378716804314054 Energy: 0.33787170021643154 Energy: 0.33380693342084056 Energy: 0.34457841512722553 Energy: 0.3445786627163005 minimum gb energy = 0.33366867948235307 eV minimum distance = 2.56634880276379 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.48514594789923954 Energy: 0.5171178146142779 Energy: 0.5171187060114288 Energy: 0.41398965807862187 Energy: 0.3264604759436885 Energy: 0.3264604731941317 Energy: 0.32301497775054594 Energy: 0.4327844791220813 Energy: 0.43278815945681537 Energy: 0.32228023010390905 Energy: 0.33256650425373785 Energy: 0.3325665042712547 Energy: 0.3230149905753654 Energy: 0.43277350216440147 Energy: 0.43279695218029446 Energy: 0.3230149723245996 Energy: 0.3325665048065156 Energy: 0.33256650463581106 Energy: 0.3215527592045603 Energy: 0.3325665057901637 Energy: 0.3325665061009466 Energy: 0.48514598190196767 Energy: 0.43277999009267665 Energy: 0.43277560787956243 Energy: 0.47847949594039396 Energy: 0.33256650471836235 Energy: 0.3325665037459751 Energy: 0.3230150124742825 Energy: 0.5336817736885913 Energy: 0.5336806019421467 minimum gb energy = 0.3215527592045603 eV minimum distance = 2.59944055739854 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.47107749771112123 Energy: 0.5029626246708827 Energy: 0.5029626247402921 Energy: 0.3808756030839529 Energy: 0.3269258031552059 Energy: 0.3269258190689162 Energy: 0.31325269776108344 Energy: 0.4199885913291272 Energy: 0.4199885847127368 Energy: 0.32049655778846 Energy: 0.41999088965491105 Energy: 0.41998875638769295 Energy: 0.5418571337822476 Energy: 0.31840135682881954 Energy: 0.3184013258798527 Energy: 0.31653482074519573 Energy: 0.501415093370528 Energy: 0.5014182645817497 Energy: 0.31035343374336516 Energy: 0.40413741045188084 Energy: 0.4041374092880693 Energy: 0.5385465800349029 Energy: 0.32679636424025443 Energy: 0.3267963825627608 Energy: 0.31568960057142487 Energy: 0.42350219890597146 Energy: 0.42350233302216955 Energy: 0.3109017888589254 Energy: 0.3619008914185473 Energy: 0.36190089141166115 minimum gb energy = 0.31035343374336516 eV minimum distance = 2.48123694874957 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.44448879315226464 Energy: 0.47804829448746083 Energy: 0.47804860788364534 Energy: 0.3074450261481434 Energy: 0.4055499434748932 Energy: 0.4055512578160733 Energy: 0.3018119796936347 Energy: 0.3795448844972815 Energy: 0.3795449063632969 Energy: 0.3700377476584615 Energy: 0.30833513088646425 Energy: 0.3083351496259687 Energy: 0.30181198768208134 Energy: 0.307445025539492 Energy: 0.30744517666709703 Energy: 0.30181198179353724 Energy: 0.40555170138771585 Energy: 0.405549458119068 Energy: 0.3074450648042733 Energy: 0.47981718568089227 Energy: 0.4798170149836503 Energy: 0.4444887907795699 Energy: 0.41107659066734825 Energy: 0.4110765908114049 Energy: 0.3833393807665945 Energy: 0.3127236602023817 Energy: 0.3127236715907095 Energy: 0.3373311107735892 Energy: 0.3009179045792236 Energy: 0.30091790639679444 minimum gb energy = 0.3009179045792236 eV minimum distance = 2.56418872717761 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5072275484614089 Energy: 0.4746514325645577 Energy: 0.4746495281355228 Energy: 0.2959608419161284 Energy: 0.5088790753539417 Energy: 0.5088800221024486 Energy: 0.29577337136689485 Energy: 0.4698853555251406 Energy: 0.46988459625195333 Energy: 0.37616014867846626 Energy: 0.4754782967909873 Energy: 0.47546987402154806 Energy: 0.3761601438952343 Energy: 0.30715001271639525 Energy: 0.3071497379278137 Energy: 0.2943269069624735 Energy: 0.30715005690940717 Energy: 0.30714974970868125 Energy: 0.3083158136150948 Energy: 0.30714974456377425 Energy: 0.30714974143893947 Energy: 0.5095718443794152 Energy: 0.30629459430086375 Energy: 0.3062943887482813 Energy: 0.3686305894266033 Energy: 0.35207570372852026 Energy: 0.35207547017053614 Energy: 0.2929595293291507 Energy: 0.3728680487675869 Energy: 0.3728680174602052 minimum gb energy = 0.2929595293291507 eV minimum distance = 2.54083843668014 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4482950767762121 Energy: 0.3061353057400209 Energy: 0.3061353058025121 Energy: 0.3257742805469145 Energy: 0.44419473277436056 Energy: 0.44419457522152933 Energy: 0.30298768441415874 Energy: 0.3932858675369325 Energy: 0.3932858639670584 Energy: 0.27510008094085303 Energy: 0.30055473294513674 Energy: 0.30055475186916375 Energy: 0.3399281244672719 Energy: 0.4002659402803045 Energy: 0.4002663667459249 Energy: 0.3029876839717061 Energy: 0.29548914198812803 Energy: 0.2954891455901775 Energy: 0.42190878272093957 Energy: 0.45333503042665985 Energy: 0.45333513650988416 Energy: 0.4482950780369211 Energy: 0.3740151307594425 Energy: 0.37401475589210925 Energy: 0.32577427138837295 Energy: 0.43026332819304064 Energy: 0.4302631218431402 Energy: 0.28604363721419895 Energy: 0.4441944904670621 Energy: 0.44419434914589284 minimum gb energy = 0.27510008094085303 eV minimum distance = 2.56178789620882 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.43267114224071745 Energy: 0.42880270983907964 Energy: 0.4288018499896013 Energy: 0.455180399581474 Energy: 0.2732000247453772 Energy: 0.27320002472671173 Energy: 0.2645112769142761 Energy: 0.35594144994379884 Energy: 0.3559390715003924 Energy: 0.264511269728029 Energy: 0.4278410356668944 Energy: 0.42783298607445264 Energy: 0.25918767933334375 Energy: 0.3323163536521529 Energy: 0.33231635366268447 Energy: 0.2697279402903135 Energy: 0.4169503717931529 Energy: 0.41694959508724183 Energy: 0.41945674805380234 Energy: 0.27964199568110754 Energy: 0.27964199651498395 Energy: 0.47385044424301903 Energy: 0.4300059146097155 Energy: 0.4300152372437361 Energy: 0.36664048564402185 Energy: 0.43602816954511825 Energy: 0.43602827434270897 Energy: 0.32212313423431643 Energy: 0.3256531436707595 Energy: 0.32565314192469297 minimum gb energy = 0.25918767933334375 eV minimum distance = 2.54713903052215 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.47088167755806365 Energy: 0.41329849530879836 Energy: 0.41334194959574805 Energy: 0.39061283675183084 Energy: 0.3936775825097479 Energy: 0.3936973084186599 Energy: 0.27170317419277373 Energy: 0.2862802280562359 Energy: 0.2862802280598677 Energy: 0.2563283295256375 Energy: 0.3936840492980256 Energy: 0.393688481138513 Energy: 0.24951911493682377 Energy: 0.40614760345583484 Energy: 0.4061466408595139 Energy: 0.3253076863196735 Energy: 0.3529470392584142 Energy: 0.35294743905668075 Energy: 0.2889149665012598 Energy: 0.3936762680404963 Energy: 0.39368399863947684 Energy: 0.46866720157997205 Energy: 0.3996865265957144 Energy: 0.3996846907759878 Energy: 0.2967225713027489 Energy: 0.25575935182947157 Energy: 0.2557592569509731 Energy: 0.25859929859313335 Energy: 0.41383386141297684 Energy: 0.41383372494529086 minimum gb energy = 0.24951911493682377 eV minimum distance = 2.62139555442364 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4431061826172892 Energy: 0.38865917447340487 Energy: 0.3886592038561504 Energy: 0.34581290269039533 Energy: 0.4463988901240582 Energy: 0.4463987677113995 Energy: 0.24374709533672712 Energy: 0.42978251413181273 Energy: 0.4297864907587804 Energy: 0.24205684989213588 Energy: 0.37451157113821526 Energy: 0.3745150403290185 Energy: 0.24205669092032828 Energy: 0.37544163359564625 Energy: 0.375438955214771 Energy: 0.24374669638745472 Energy: 0.3934307061737102 Energy: 0.3934312702163225 Energy: 0.3462779487966487 Energy: 0.3878357046312398 Energy: 0.38785166489548867 Energy: 0.47356190908184886 Energy: 0.3236594922460882 Energy: 0.32365952523049624 Energy: 0.34627794880979584 Energy: 0.3830151913475101 Energy: 0.38300870061555975 Energy: 0.256996044204302 Energy: 0.37545275741007517 Energy: 0.3754384430230818 minimum gb energy = 0.24205669092032828 eV minimum distance = 2.55544935650069 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3982213134975326 Energy: 0.3724287267779543 Energy: 0.37242961281472625 Energy: 0.3109631997787386 Energy: 0.3620762999753307 Energy: 0.3620766048765982 Energy: 0.46776506266504897 Energy: 0.23546822890058494 Energy: 0.23546821286608074 Energy: 0.22640634170972787 Energy: 0.3592838712250264 Energy: 0.3592820573222665 Energy: 0.235791968787571 Energy: 0.3655827272691228 Energy: 0.3655763075790958 Energy: 0.23022741846456765 Energy: 0.35041997209849585 Energy: 0.3504189721181961 Energy: 0.3245111545556237 Energy: 0.23255170318778082 Energy: 0.23255181717630408 Energy: 0.45988819660884944 Energy: 0.37166386189462425 Energy: 0.3716640683510694 Energy: 0.31096319966563585 Energy: 0.40914959577442567 Energy: 0.4091501267920699 Energy: 0.22990412661366383 Energy: 0.3716592495945763 Energy: 0.37165764230723297 minimum gb energy = 0.22640634170972787 eV minimum distance = 2.61188465760205 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.4427015759630849 Energy: 0.3582446313812482 Energy: 0.3582416858916755 Energy: 0.26049767148297426 Energy: 0.2270624140336185 Energy: 0.22706248234152032 Energy: 0.22457456804426912 Energy: 0.3551195681949687 Energy: 0.3551208703740221 Energy: 0.2157192096473962 Energy: 0.32929949175249407 Energy: 0.3292995382634493 Energy: 0.22457448895691504 Energy: 0.34006112711810615 Energy: 0.3400599426302813 Energy: 0.21998343994634298 Energy: 0.3366396276065774 Energy: 0.33663960988727654 Energy: 0.2932263593207497 Energy: 0.3477204019995166 Energy: 0.3477102157100843 Energy: 0.4344411391835603 Energy: 0.3487535942528674 Energy: 0.3487536099922847 Energy: 0.3593292025465057 Energy: 0.3574409258622026 Energy: 0.3574617502584832 Energy: 0.22204523022114694 Energy: 0.34368285671007304 Energy: 0.34368309552281007 minimum gb energy = 0.2157192096473962 eV minimum distance = 2.60343136038309 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.42146766117178125 Energy: 0.34500530375408955 Energy: 0.3450405490106583 Energy: 0.2833116442896332 Energy: 0.32764795128430135 Energy: 0.327648003916519 Energy: 0.2507285586483885 Energy: 0.3293807471570425 Energy: 0.32938112246088014 Energy: 0.2078600480420751 Energy: 0.32599168693830866 Energy: 0.32599182277371697 Energy: 0.21167519650753827 Energy: 0.33104305487881164 Energy: 0.3310488490850943 Energy: 0.21511838064988686 Energy: 0.36835553244300123 Energy: 0.3683553802846165 Energy: 0.2833123263310887 Energy: 0.3243851790823583 Energy: 0.32438555935269975 Energy: 0.3040992959247234 Energy: 0.3293807508019632 Energy: 0.3293808526306358 Energy: 0.2522026386205352 Energy: 0.21709835125838023 Energy: 0.21709835185479223 Energy: 0.2715675501585479 Energy: 0.31767435972204067 Energy: 0.3176781288286182 minimum gb energy = 0.2078600480420751 eV minimum distance = 2.54733872844163 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.4029642007237644 Energy: 0.333042673515468 Energy: 0.3329896223694712 Energy: 0.2745541914153457 Energy: 0.3134203156542113 Energy: 0.31342072200821686 Energy: 0.20687205062417255 Energy: 0.3247693171379234 Energy: 0.32477978548122743 Energy: 0.2042594848828094 Energy: 0.3245373369608397 Energy: 0.32453513149602375 Energy: 0.20238662848340566 Energy: 0.31342064548180926 Energy: 0.3134211174486262 Energy: 0.32533284387618555 Energy: 0.21069763372499623 Energy: 0.21069763208498227 Energy: 0.29321708523423534 Energy: 0.25572776117375745 Energy: 0.2557277709115297 Energy: 0.2940621514030873 Energy: 0.3259471444739021 Energy: 0.3259479562702892 Energy: 0.32659228319038414 Energy: 0.31969185291162144 Energy: 0.31966576420802423 Energy: 0.2106976317136649 Energy: 0.3483695872917589 Energy: 0.3483695623034328 minimum gb energy = 0.20238662848340566 eV minimum distance = 2.59802953446593 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011469745396092561 Energy: 0.011469745398173421 Energy: 0.011469745402315506 Energy: 0.011469745394365058 Energy: 0.5365717895955201 Energy: 0.5365717895903573 Energy: 0.011469745397132991 Energy: 0.1739729189890358 Energy: 0.17397291899698625 Energy: 0.011469745395405486 Energy: 0.5365717895965607 Energy: 0.5365717895962269 Energy: 0.011469745396092561 Energy: 0.5365717895955201 Energy: 0.536571789773041 Energy: 0.01146974539575884 Energy: 0.1739729189990671 Energy: 0.1739729189983604 Energy: 0.011469745397486344 Energy: 0.17397291899215708 Energy: 0.17397291899249082 Energy: 0.011469745396779639 Energy: 0.011469745401275077 Energy: 0.01146974539334426 Energy: 0.011469745395405486 Energy: 0.5365717895941461 Energy: 0.5365717895958736 Energy: 0.01146974539471841 Energy: 0.1739729189976733 Energy: 0.1739729189973396 minimum gb energy = 0.01146974539334426 eV minimum distance = 2.83880203549913 Angstroms sigma value = 1