model_name=EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002 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=4.032082897424699 cohesive_energy=3.3602642542189236 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010418261409613485 Energy: 0.01041826140812899 Energy: 0.01041826140812899 Energy: 0.010418261407652831 Energy: 0.010418261407148665 Energy: 0.010418261409613485 Energy: 0.01041826140812899 Energy: 0.010418261409109317 Energy: 0.010418261410117651 Energy: 0.010418261409613485 Energy: 0.010418261413058632 Energy: 0.010418261409613485 Energy: 0.010418261411097978 Energy: 0.010418261409109317 Energy: 0.010418261409613485 Energy: 0.010418261409613485 Energy: 0.010418261407148665 Energy: 0.010418261410117651 Energy: 0.010418261408633157 Energy: 0.01041826141059381 Energy: 0.01041826140812899 Energy: 0.01041826140812899 Energy: 0.010418261407652831 Energy: 0.010418261410117651 Energy: 0.010418261409109317 Energy: 0.010418261409109317 Energy: 0.010418261407652831 Energy: 0.010418261407652831 Energy: 0.01041826140812899 Energy: 0.010418261407148665 minimum gb energy = 0.010418261407148665 eV minimum distance = 2.85101474459807 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43417588616881564 Energy: 0.39666179854585804 Energy: 0.3966618317459219 Energy: 0.39003122590082695 Energy: 0.39666232961067577 Energy: 0.39666214104471925 Energy: 0.3903423191792944 Energy: 0.4463371511947857 Energy: 0.4463388471933967 Energy: 0.40341232841196956 Energy: 0.38342952036303996 Energy: 0.3834298019010755 Energy: 0.407544387942723 Energy: 0.39703680357727544 Energy: 0.3970369854210377 Energy: 0.3970369854210377 Energy: 0.40663546792046273 Energy: 0.406635656513964 Energy: 0.39083579969311216 Energy: 0.39703672192243106 Energy: 0.39703674201630595 Energy: 0.40484584702150483 Energy: 0.4317894727248402 Energy: 0.43178947264584255 Energy: 0.3992157609889611 Energy: 0.4611312005127919 Energy: 0.4611312019310532 Energy: 0.42800471203399404 Energy: 0.4140364920184417 Energy: 0.4140364993444165 minimum gb energy = 0.38342952036303996 eV minimum distance = 2.59145493512731 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.447232656416903 Energy: 0.41338922899999186 Energy: 0.41338962286808506 Energy: 0.41338962286808506 Energy: 0.41580252008667284 Energy: 0.4158025621984887 Energy: 0.39953392811934635 Energy: 0.4138460568531326 Energy: 0.4138466714237026 Energy: 0.39715323397724567 Energy: 0.41625999894721244 Energy: 0.4162596230291359 Energy: 0.3901445517517222 Energy: 0.4133901763530731 Energy: 0.4133902114755322 Energy: 0.436762106534153 Energy: 0.41625944890896094 Energy: 0.41625955977258483 Energy: 0.385973688997388 Energy: 0.4138463003236624 Energy: 0.4138460458956656 Energy: 0.3963667864928492 Energy: 0.4162595522832789 Energy: 0.4162599525046333 Energy: 0.39646441985461023 Energy: 0.41384652929656346 Energy: 0.41384605105774025 Energy: 0.38939908362359904 Energy: 0.42706545623511194 Energy: 0.42706488708902324 minimum gb energy = 0.385973688997388 eV minimum distance = 2.63418867923067 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.4679842802812525 Energy: 0.4260593766236702 Energy: 0.4260593647449586 Energy: 0.4120634597297179 Energy: 0.4244660502252849 Energy: 0.42446608774841343 Energy: 0.4449986110467921 Energy: 0.4105065776131589 Energy: 0.4105065841451132 Energy: 0.41067497476786713 Energy: 0.4821534548095878 Energy: 0.48215320944574896 Energy: 0.4246245483709591 Energy: 0.4259147704113924 Energy: 0.4259147545320135 Energy: 0.4259147545320135 Energy: 0.4373947849082462 Energy: 0.4373947673308821 Energy: 0.41387384962037144 Energy: 0.41584761741306353 Energy: 0.41584763469376734 Energy: 0.42106079834132076 Energy: 0.5083240204232163 Energy: 0.5083243822017836 Energy: 0.4640136183008749 Energy: 0.44276230706626846 Energy: 0.4427630846785561 Energy: 0.40971278526612365 Energy: 0.43739485215578844 Energy: 0.4373947809030761 minimum gb energy = 0.40971278526612365 eV minimum distance = 2.63567504393011 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.4759475272988937 Energy: 0.44076570328906634 Energy: 0.4407651678437419 Energy: 0.42674607366854805 Energy: 0.48807567911194927 Energy: 0.4880759129090585 Energy: 0.45989687054474415 Energy: 0.43689361617551825 Energy: 0.4368935691667292 Energy: 0.425307643505115 Energy: 0.44234308417346624 Energy: 0.4423425185858774 Energy: 0.4401068845790495 Energy: 0.495920683801599 Energy: 0.49592405587055255 Energy: 0.4624375009746933 Energy: 0.4455523128797806 Energy: 0.4455523091396636 Energy: 0.440106648584123 Energy: 0.5338924369994614 Energy: 0.5338897139929664 Energy: 0.419166012989439 Energy: 0.44148176124112176 Energy: 0.44148175476056717 Energy: 0.43623066452470366 Energy: 0.4335604614540135 Energy: 0.4335604556789398 Energy: 0.43305441532186734 Energy: 0.4599676558540308 Energy: 0.4599670914474042 minimum gb energy = 0.419166012989439 eV minimum distance = 2.59301015851211 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.49155510468064556 Energy: 0.4637736503348925 Energy: 0.46377364158399614 Energy: 0.4622735354506468 Energy: 0.5024611850882964 Energy: 0.5024611859738135 Energy: 0.44641493327425796 Energy: 0.45179072950341326 Energy: 0.4517907132846161 Energy: 0.44348319814382825 Energy: 0.5221977360221751 Energy: 0.5221979574995588 Energy: 0.4993631151601269 Energy: 0.4680691401956195 Energy: 0.4680692237427614 Energy: 0.4224075085434625 Energy: 0.46376543791976665 Energy: 0.4637654594044384 Energy: 0.45662655965587057 Energy: 0.45045892100342494 Energy: 0.45045914562052947 Energy: 0.4566265434152043 Energy: 0.4896299282864459 Energy: 0.489630053485144 Energy: 0.43364846249488814 Energy: 0.45084407557529665 Energy: 0.45084422388073486 Energy: 0.45662668709404425 Energy: 0.44933812319479643 Energy: 0.44933812371630816 minimum gb energy = 0.4224075085434625 eV minimum distance = 2.58365272714535 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.5115365101495086 Energy: 0.4729681581837371 Energy: 0.4729681572389333 Energy: 0.45099546190063095 Energy: 0.47415182410123435 Energy: 0.47415178560976234 Energy: 0.4660954685301628 Energy: 0.5330842854937196 Energy: 0.5330840503395691 Energy: 0.4505182976033798 Energy: 0.5200739100795619 Energy: 0.5200739134665413 Energy: 0.46648255737262595 Energy: 0.4877227637786506 Energy: 0.48772423741343857 Energy: 0.46648342834119355 Energy: 0.49555693857486094 Energy: 0.4955569385444712 Energy: 0.4638418194199634 Energy: 0.4955571231913641 Energy: 0.4955569426026792 Energy: 0.46785766945101154 Energy: 0.487415615738149 Energy: 0.4874169905461527 Energy: 0.46609546836296323 Energy: 0.5622994739911026 Energy: 0.5622994576714713 Energy: 0.4808934986875599 Energy: 0.47296822595690124 Energy: 0.47296888392405123 minimum gb energy = 0.4505182976033798 eV minimum distance = 2.61768032152444 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5035106024299367 Energy: 0.4958909033799685 Energy: 0.4958896999927997 Energy: 0.4872036092270655 Energy: 0.4967452174576012 Energy: 0.4967443187438126 Energy: 0.46134424978135136 Energy: 0.49674549260393464 Energy: 0.4967443590574076 Energy: 0.4538908702563025 Energy: 0.4967444577100181 Energy: 0.49674438898977574 Energy: 0.46746412992029546 Energy: 0.49586569570979094 Energy: 0.4958658445859814 Energy: 0.4606317585896752 Energy: 0.49586557528157177 Energy: 0.49586606650178444 Energy: 0.5027373911170484 Energy: 0.49674433901705956 Energy: 0.49674494670521907 Energy: 0.46440169543513193 Energy: 0.4967453978305817 Energy: 0.49674507484018715 Energy: 0.48720413965462783 Energy: 0.4967454461474684 Energy: 0.4967443192906748 Energy: 0.48529035436452406 Energy: 0.4958904141437027 Energy: 0.49589009710678184 minimum gb energy = 0.4538908702563025 eV minimum distance = 2.61669057545689 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5209323550913917 Energy: 0.5186103060103268 Energy: 0.5186103043418278 Energy: 0.501887960742625 Energy: 0.4867092995556675 Energy: 0.4867092873156725 Energy: 0.5549548395671952 Energy: 0.4930959078976344 Energy: 0.4930960532320327 Energy: 0.5525566113105256 Energy: 0.48798823936942015 Energy: 0.487988355261077 Energy: 0.512372982758438 Energy: 0.5144638140576556 Energy: 0.5144633537589886 Energy: 0.5123729157883238 Energy: 0.5144633315360426 Energy: 0.514465927634752 Energy: 0.5702674574882901 Energy: 0.4944748250600787 Energy: 0.4944746936311173 Energy: 0.5190003886667978 Energy: 0.4930959537626662 Energy: 0.4930959537382083 Energy: 0.5018878666644117 Energy: 0.4867094180552 Energy: 0.48670933356636037 Energy: 0.5299399283876292 Energy: 0.514384173883324 Energy: 0.5143845994489018 minimum gb energy = 0.4867092873156725 eV minimum distance = 2.59109797312336 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5384954169236398 Energy: 0.5364224814360041 Energy: 0.53642229655528 Energy: 0.5401645321695763 Energy: 0.5027389746689888 Energy: 0.5027400842044061 Energy: 0.5057803701136168 Energy: 0.5332771847714648 Energy: 0.5332821761281236 Energy: 0.5085577553554166 Energy: 0.5371114376683428 Energy: 0.5371113742270907 Energy: 0.5124422092507553 Energy: 0.5773968102236495 Energy: 0.5773946524443482 Energy: 0.5147582055783838 Energy: 0.5171012352096854 Energy: 0.5171010337095537 Energy: 0.5209363524430047 Energy: 0.5371111006286098 Energy: 0.5371103067992699 Energy: 0.5108683836736665 Energy: 0.5691332551202477 Energy: 0.5691324861301239 Energy: 0.48087647737546774 Energy: 0.5469535079427944 Energy: 0.546951655720138 Energy: 0.5298967985544731 Energy: 0.5437574729277688 Energy: 0.5437586644765093 minimum gb energy = 0.48087647737546774 eV minimum distance = 2.52779134620679 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5675137689533766 Energy: 0.5409071424592026 Energy: 0.5409066717272389 Energy: 0.6045418259977177 Energy: 0.5169977330182451 Energy: 0.516999743940161 Energy: 0.561827046946307 Energy: 0.5280263764652406 Energy: 0.5280262536180947 Energy: 0.5026927863780032 Energy: 0.5722471523489029 Energy: 0.5722471513782076 Energy: 0.5082045052355136 Energy: 0.5417227634925831 Energy: 0.5417226650768738 Energy: 0.49271136758549283 Energy: 0.5408081111482551 Energy: 0.540807973488214 Energy: 0.5033831214946252 Energy: 0.6087610874604165 Energy: 0.6087657851649326 Energy: 0.48105951770344524 Energy: 0.5426236896067711 Energy: 0.542623715805436 Energy: 0.513666975147513 Energy: 0.5304902347297599 Energy: 0.5304903596005608 Energy: 0.5147988161780587 Energy: 0.5409070072464974 Energy: 0.5409063034631434 minimum gb energy = 0.48105951770344524 eV minimum distance = 2.59663110538862 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5373691491191604 Energy: 0.5385438302735627 Energy: 0.5385437705677092 Energy: 0.5008761300986722 Energy: 0.5502321499482116 Energy: 0.5502328957819677 Energy: 0.5064646687580412 Energy: 0.574382151887187 Energy: 0.5743820564733805 Energy: 0.5134157618456336 Energy: 0.5374266646566549 Energy: 0.5374312825064377 Energy: 0.543912199966818 Energy: 0.5537811188336604 Energy: 0.5537811054272579 Energy: 0.5375933490519308 Energy: 0.5457000873341052 Energy: 0.5457298819941601 Energy: 0.5377257782687885 Energy: 0.534768363547835 Energy: 0.5347676357565084 Energy: 0.5347682314205722 Energy: 0.5256140046067032 Energy: 0.5256136261642426 Energy: 0.5255178100373646 Energy: 0.5752619453335761 Energy: 0.5752619039537686 Energy: 0.5260882547085939 Energy: 0.567788987388211 Energy: 0.567788987442897 minimum gb energy = 0.5008761300986722 eV minimum distance = 2.57607755159625 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5571789905317415 Energy: 0.5748417554640822 Energy: 0.5748419416274646 Energy: 0.5413759104096353 Energy: 0.5272779407959686 Energy: 0.5272779369513907 Energy: 0.5763705311236433 Energy: 0.5952915602809207 Energy: 0.5952912549022445 Energy: 0.5641165644928013 Energy: 0.5775305083154129 Energy: 0.5775304854164032 Energy: 0.5272779257991839 Energy: 0.5292858377585784 Energy: 0.5251788339876177 Energy: 0.526036796522133 Energy: 0.5252956772159552 Energy: 0.5252956998508943 Energy: 0.5794898307925002 Energy: 0.5611161681008938 Energy: 0.5611162565830106 Energy: 0.5193676381670242 Energy: 0.5744632979439035 Energy: 0.5744633065038828 Energy: 0.5474919757662934 Energy: 0.5260369921300952 Energy: 0.5260364338611211 Energy: 0.5382630582346325 Energy: 0.5314829958444739 Energy: 0.5314834636547713 minimum gb energy = 0.5193676381670242 eV minimum distance = 2.5702821243068 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.604213036678223 Energy: 0.5960653643131851 Energy: 0.5960645269657778 Energy: 0.5452393265298838 Energy: 0.7128474919018206 Energy: 0.7128481597910269 Energy: 0.5651866184225276 Energy: 0.5494106331158461 Energy: 0.5494106024171597 Energy: 0.5799727554732209 Energy: 0.58413586644024 Energy: 0.5841357728598414 Energy: 0.5495647308662626 Energy: 0.5494106020826413 Energy: 0.5494106130708001 Energy: 0.5654795909290405 Energy: 0.5722856486525094 Energy: 0.5722857181940244 Energy: 0.5404375474981172 Energy: 0.5486843202330783 Energy: 0.548683772775866 Energy: 0.5780778131401032 Energy: 0.5371270540992287 Energy: 0.5371267192788974 Energy: 0.5600200627176897 Energy: 0.5429291366962389 Energy: 0.5429262867397865 Energy: 0.5804269051427798 Energy: 0.549198500410092 Energy: 0.5491984242079122 minimum gb energy = 0.5371267192788974 eV minimum distance = 2.52247457415865 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5640973658708257 Energy: 0.5437120729740206 Energy: 0.5437120729749874 Energy: 0.5303248911989121 Energy: 0.5399904421975833 Energy: 0.5399904422024172 Energy: 0.6102424449139671 Energy: 0.6285323483487877 Energy: 0.6285322469803248 Energy: 0.5800210347303609 Energy: 0.5340907848615947 Energy: 0.5340907858569407 Energy: 0.5626773324624784 Energy: 0.5370018444616601 Energy: 0.5370018443215205 Energy: 0.5269683369881959 Energy: 0.539990442203384 Energy: 0.5399904421898711 Energy: 0.4993330765205186 Energy: 0.5437120730117031 Energy: 0.5437120729798212 Energy: 0.4993330765205186 Energy: 0.5269677952217792 Energy: 0.5269677952140669 Energy: 0.5598903622898368 Energy: 0.5838777359667008 Energy: 0.5838777357415503 Energy: 0.5598903786540518 Energy: 0.5838777356787315 Energy: 0.5838784438076017 minimum gb energy = 0.4993330765205186 eV minimum distance = 2.53811821568162 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5999915373967584 Energy: 0.5824099476200142 Energy: 0.5824115316917546 Energy: 0.5874724155101767 Energy: 0.555370954025168 Energy: 0.5553661840374399 Energy: 0.612686353397472 Energy: 0.5480332556336178 Energy: 0.5480341133169603 Energy: 0.5622243069852385 Energy: 0.582410635715407 Energy: 0.5824105063666083 Energy: 0.5605026674315662 Energy: 0.5650208802925413 Energy: 0.5650200439254083 Energy: 0.6002050013869639 Energy: 0.5604314957567508 Energy: 0.5604314957681127 Energy: 0.5377506296390855 Energy: 0.5824104987450979 Energy: 0.5824103735433116 Energy: 0.5833120258733449 Energy: 0.5518347833233427 Energy: 0.5518346733225722 Energy: 0.5712907259564717 Energy: 0.5594645911715289 Energy: 0.5594643108545809 Energy: 0.5204441300845932 Energy: 0.58241051977704 Energy: 0.5824100115015037 minimum gb energy = 0.5204441300845932 eV minimum distance = 2.50932187161319 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6185199893436971 Energy: 0.5825949966641187 Energy: 0.5825950017901388 Energy: 0.5431141618353725 Energy: 0.6509706052378563 Energy: 0.6509705308088048 Energy: 0.5798224517274939 Energy: 0.6131588069053019 Energy: 0.613159244590507 Energy: 0.5714452060239587 Energy: 0.5537310786653781 Energy: 0.5537310772148487 Energy: 0.5729183580950785 Energy: 0.5501823377269525 Energy: 0.5505425445989702 Energy: 0.627035573412928 Energy: 0.5607462397237427 Energy: 0.560746239950356 Energy: 0.5754867630348124 Energy: 0.5481710983721939 Energy: 0.5481709966457678 Energy: 0.5334929524666113 Energy: 0.5481709363846166 Energy: 0.5481705171537151 Energy: 0.6115093066668481 Energy: 0.5578595796840737 Energy: 0.5578589743059538 Energy: 0.5675427270070207 Energy: 0.5555576062028719 Energy: 0.555556897201035 minimum gb energy = 0.5334929524666113 eV minimum distance = 2.54690849010166 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.6104610528866904 Energy: 0.5644736565294427 Energy: 0.5644734827118182 Energy: 0.5341367313902826 Energy: 0.5667297081543792 Energy: 0.5667304510642107 Energy: 0.5742045210449174 Energy: 0.5680698652322984 Energy: 0.5680698700054992 Energy: 0.5799970686124493 Energy: 0.5881026102049758 Energy: 0.5881026175372459 Energy: 0.577477509603777 Energy: 0.604122916406968 Energy: 0.6041227703059269 Energy: 0.5738763617098385 Energy: 0.5875076428997954 Energy: 0.5875076367080133 Energy: 0.6020740684561703 Energy: 0.5637596347246213 Energy: 0.5637596463126354 Energy: 0.5853549669251681 Energy: 0.5997778329300695 Energy: 0.599777500077128 Energy: 0.5755688697741478 Energy: 0.559752759781778 Energy: 0.5597527537251964 Energy: 0.5144025322624607 Energy: 0.578743525692588 Energy: 0.5787441892755366 minimum gb energy = 0.5144025322624607 eV minimum distance = 2.51222377362291 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.541624782487334 Energy: 0.5979046282036082 Energy: 0.5979052828603302 Energy: 0.6418449093351154 Energy: 0.5019695641329025 Energy: 0.501969565363841 Energy: 0.6723571146439798 Energy: 0.5979047818219249 Energy: 0.5979047570550091 Energy: 0.5019695598963277 Energy: 0.5650218526088252 Energy: 0.565021854353633 Energy: 0.6413677196678326 Energy: 0.5955854734789402 Energy: 0.5955854073227658 Energy: 0.5019696191019117 Energy: 0.5897004981728412 Energy: 0.5897060531632092 Energy: 0.5913293468141981 Energy: 0.6661227028394641 Energy: 0.6661225961472647 Energy: 0.5587001180895528 Energy: 0.5897011765376002 Energy: 0.5897012112977797 Energy: 0.5593504166625948 Energy: 0.5979049567688721 Energy: 0.597905448592005 Energy: 0.5194913264582929 Energy: 0.5019696170176858 Energy: 0.5019695859718426 minimum gb energy = 0.5019695598963277 eV minimum distance = 2.60875794288193 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.6101674781597155 Energy: 0.5729452164497887 Energy: 0.5729458134202066 Energy: 0.5691878979083995 Energy: 0.5986154399599068 Energy: 0.5986160335309074 Energy: 0.5989547328312268 Energy: 0.5841369055865822 Energy: 0.5841986311391959 Energy: 0.5822960695039852 Energy: 0.5793479569383433 Energy: 0.5793499326012206 Energy: 0.5981453459967974 Energy: 0.6051216243477535 Energy: 0.6051215293674721 Energy: 0.5969551145092925 Energy: 0.6093457358484372 Energy: 0.6093390641118759 Energy: 0.5738483360936482 Energy: 0.5729452930996366 Energy: 0.572946175826357 Energy: 0.5691885795225123 Energy: 0.5783277905937405 Energy: 0.5783289357059211 Energy: 0.6126997272774689 Energy: 0.6035991866022028 Energy: 0.6035968595693156 Energy: 0.5502631390300791 Energy: 0.5793479312837385 Energy: 0.5793486001305364 minimum gb energy = 0.5502631390300791 eV minimum distance = 2.51094787344511 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.6032183004226465 Energy: 0.5968225673601525 Energy: 0.5968220133975193 Energy: 0.5537300778546185 Energy: 0.6014179969025787 Energy: 0.6014176026733049 Energy: 0.6251219831991078 Energy: 0.6392124903026665 Energy: 0.6392124903968813 Energy: 0.553729796534343 Energy: 0.5968219820442864 Energy: 0.596822508119253 Energy: 0.5894023846033506 Energy: 0.5968224508334767 Energy: 0.5968224706439672 Energy: 0.6440912771225655 Energy: 0.6444955246813588 Energy: 0.6444939487054483 Energy: 0.5651246321794097 Energy: 0.5657907841941161 Energy: 0.5657908655096278 Energy: 0.5537309341347623 Energy: 0.5968221994886855 Energy: 0.5968221473750519 Energy: 0.5894019664986146 Energy: 0.5813434807667733 Energy: 0.5813434654546937 Energy: 0.6284800026308038 Energy: 0.5995325274383775 Energy: 0.5995325367195726 minimum gb energy = 0.553729796534343 eV minimum distance = 2.51286088482594 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5809106022988124 Energy: 0.575378020451272 Energy: 0.5753765511025103 Energy: 0.5621731948777235 Energy: 0.5423890206092584 Energy: 0.542389682028487 Energy: 0.5537983436022619 Energy: 0.5954080590280796 Energy: 0.5954076728848061 Energy: 0.5658312741814718 Energy: 0.5311252318946724 Energy: 0.5311262079682451 Energy: 0.6865525845010106 Energy: 0.5809104061796997 Energy: 0.5809103837113916 Energy: 0.6504929189555021 Energy: 0.580080504933227 Energy: 0.5800805049663762 Energy: 0.5537805347314454 Energy: 0.5954203390705065 Energy: 0.5954185874209115 Energy: 0.5516673396718401 Energy: 0.5704865414204867 Energy: 0.5704865381229158 Energy: 0.5809104717253254 Energy: 0.575376675527613 Energy: 0.5753768888972527 Energy: 0.5154640864740739 Energy: 0.6058093308226485 Energy: 0.6058093716812919 minimum gb energy = 0.5154640864740739 eV minimum distance = 2.55740750871904 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5790536698608387 Energy: 0.5605357254601664 Energy: 0.5605365958553294 Energy: 0.6459695955725483 Energy: 0.583248441988383 Energy: 0.5832484466631841 Energy: 0.5604664439478282 Energy: 0.5802987183105582 Energy: 0.5802986632049404 Energy: 0.5476927637776003 Energy: 0.6301022323042629 Energy: 0.6301023089989397 Energy: 0.6893170277519668 Energy: 0.6204872093129687 Energy: 0.6204870591055955 Energy: 0.5476915446494445 Energy: 0.6431018235489746 Energy: 0.6431019092180468 Energy: 0.549436304387163 Energy: 0.5946070468455236 Energy: 0.5946079283073064 Energy: 0.6198409511535644 Energy: 0.5832484419779953 Energy: 0.5832484420114981 Energy: 0.5790536419111033 Energy: 0.5605356905588714 Energy: 0.5605356905532053 Energy: 0.6424292808899847 Energy: 0.5876565926561033 Energy: 0.5876561707620118 minimum gb energy = 0.5476915446494445 eV minimum distance = 2.52386707222624 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.6042671426608851 Energy: 0.5990618950990453 Energy: 0.5990620042372001 Energy: 0.5590409659116271 Energy: 0.5989731978714979 Energy: 0.5989731875438312 Energy: 0.5719620132260201 Energy: 0.5804726563709703 Energy: 0.5804726423546112 Energy: 0.5781628308117399 Energy: 0.5946626345170745 Energy: 0.5946625734381483 Energy: 0.6688012188635307 Energy: 0.6042665986659422 Energy: 0.6042674376518369 Energy: 0.5781626536175994 Energy: 0.5946622456404265 Energy: 0.5946621778670076 Energy: 0.5719621553086043 Energy: 0.5804727479170868 Energy: 0.5804731427136725 Energy: 0.559039308580015 Energy: 0.5989748857880586 Energy: 0.5989734842765767 Energy: 0.604266570893715 Energy: 0.5990626630605176 Energy: 0.5990624089050157 Energy: 0.5590391324093233 Energy: 0.5989766579835308 Energy: 0.5989754579399692 minimum gb energy = 0.5590391324093233 eV minimum distance = 2.50460659008808 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.484090366572111 Energy: 0.4840903613521703 Energy: 0.4840903424013559 Energy: 0.584448077605015 Energy: 0.4820357048227947 Energy: 0.4820356867975708 Energy: 0.4969668071967622 Energy: 0.5446577909267233 Energy: 0.544654838526447 Energy: 0.6167492451046532 Energy: 0.48203568320436646 Energy: 0.48203568320904316 Energy: 0.48409034468881335 Energy: 0.4840903723062726 Energy: 0.48409038214630046 Energy: 0.584447891283595 Energy: 0.48203568392425444 Energy: 0.48203568321060203 Energy: 0.49696680770318863 Energy: 0.5446559901042657 Energy: 0.5446548836611803 Energy: 0.6167492145795822 Energy: 0.5142052069565837 Energy: 0.5142050700159922 Energy: 0.48409034492565817 Energy: 0.48409035935456 Energy: 0.48409037233433255 Energy: 0.5844477352005522 Energy: 0.5142050847409414 Energy: 0.514205068175759 minimum gb energy = 0.48203568320436646 eV minimum distance = 2.59369171767429 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5884890526321284 Energy: 0.5610103498876862 Energy: 0.5610114231441423 Energy: 0.6932483173941936 Energy: 0.6153024823141973 Energy: 0.615303886804221 Energy: 0.5567281697856885 Energy: 0.5788014713678779 Energy: 0.5788014885946504 Energy: 0.5654174670253188 Energy: 0.5798178719911492 Energy: 0.5798179665009551 Energy: 0.5965394541393926 Energy: 0.6314229258771757 Energy: 0.6314229272484168 Energy: 0.5604907374921708 Energy: 0.5764029815109456 Energy: 0.5764028232080692 Energy: 0.7167675186825113 Energy: 0.5880876525350428 Energy: 0.58808746827979 Energy: 0.5798184648342073 Energy: 0.6033343839669593 Energy: 0.6033328473077323 Energy: 0.6837836231734346 Energy: 0.5706535829418311 Energy: 0.5706534513175731 Energy: 0.5716602971033419 Energy: 0.5599814247684111 Energy: 0.559981437435997 minimum gb energy = 0.5567281697856885 eV minimum distance = 2.50514009467267 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5834547367192673 Energy: 0.5850106546751012 Energy: 0.5850106545382792 Energy: 0.5277648309472472 Energy: 0.584308601825797 Energy: 0.5843074958599804 Energy: 0.5166397374734186 Energy: 0.615482339401682 Energy: 0.6154829614270969 Energy: 0.533107640194447 Energy: 0.6206412074193705 Energy: 0.6206408432984973 Energy: 0.5792940261673193 Energy: 0.5831696849331035 Energy: 0.5831653363319368 Energy: 0.6428873742628066 Energy: 0.5740299781959679 Energy: 0.5740300212500773 Energy: 0.7079998757548348 Energy: 0.5166393240708411 Energy: 0.5166394467349166 Energy: 0.6406212723474111 Energy: 0.5100248133817767 Energy: 0.510024805191598 Energy: 0.6660166926420485 Energy: 0.5856254234415722 Energy: 0.5856255242479095 Energy: 0.6402684898841854 Energy: 0.5866756601923617 Energy: 0.5866756601734093 minimum gb energy = 0.510024805191598 eV minimum distance = 2.57775330665477 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5337216826833885 Energy: 0.6125430490744249 Energy: 0.6125431595677686 Energy: 0.703931855963906 Energy: 0.5547195497995815 Energy: 0.5547244131522533 Energy: 0.6212403522761168 Energy: 0.6142656996801064 Energy: 0.6142643610193123 Energy: 0.5461885564741435 Energy: 0.6210749917229382 Energy: 0.6210779692193023 Energy: 0.6141698065829698 Energy: 0.6058662058987375 Energy: 0.6058637838512181 Energy: 0.5462063089727891 Energy: 0.614024546704811 Energy: 0.6140253255913939 Energy: 0.7105871241128094 Energy: 0.633433085529476 Energy: 0.6334349687611434 Energy: 0.54618892613784 Energy: 0.5922920571076769 Energy: 0.592294823693729 Energy: 0.6581197357802582 Energy: 0.5536606590341688 Energy: 0.5536607927829501 Energy: 0.5461860109531946 Energy: 0.5536607004105545 Energy: 0.5536607355936043 minimum gb energy = 0.5337216826833885 eV minimum distance = 2.5749828703079 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5805156789213181 Energy: 0.5846504409077069 Energy: 0.5846524506145865 Energy: 0.565158170418234 Energy: 0.5888526146261023 Energy: 0.5888492471928487 Energy: 0.5734615001726675 Energy: 0.6075551399948299 Energy: 0.6075571335251924 Energy: 0.523151514738923 Energy: 0.5846521369504245 Energy: 0.5846493647447465 Energy: 0.6041615232056932 Energy: 0.5724051765591667 Energy: 0.5724042298521341 Energy: 0.5376859353074391 Energy: 0.5805451380383202 Energy: 0.5805455069589742 Energy: 0.5346225770839419 Energy: 0.6127509058206676 Energy: 0.6127489317494362 Energy: 0.5698870412583232 Energy: 0.5816473162081569 Energy: 0.5816472331463747 Energy: 0.5585202211214875 Energy: 0.5669043580454955 Energy: 0.5669043629798572 Energy: 0.5730166663937758 Energy: 0.6111447111267198 Energy: 0.6111447195001313 minimum gb energy = 0.523151514738923 eV minimum distance = 2.55897874010271 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5613711046540072 Energy: 0.5724855972431488 Energy: 0.5724842452282926 Energy: 0.5568365622186547 Energy: 0.5502534345582606 Energy: 0.5502534378888806 Energy: 0.5848758358959357 Energy: 0.6200176725376781 Energy: 0.6200187809691 Energy: 0.5466100493549987 Energy: 0.6134418874975908 Energy: 0.6134438470674469 Energy: 0.6895658047462316 Energy: 0.5170597292575893 Energy: 0.517059703533138 Energy: 0.6359449734720282 Energy: 0.5817056606588055 Energy: 0.5817034025850817 Energy: 0.6041817256747871 Energy: 0.5372560374034192 Energy: 0.5372558684001865 Energy: 0.590876333659106 Energy: 0.5734017752654935 Energy: 0.573402140267334 Energy: 0.6051470885498923 Energy: 0.6025997302041465 Energy: 0.6025994435962566 Energy: 0.5549399077062628 Energy: 0.5857440228776445 Energy: 0.5857440228785599 minimum gb energy = 0.517059703533138 eV minimum distance = 2.49903894242516 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5363444978324434 Energy: 0.5398779191867173 Energy: 0.5398814643474604 Energy: 0.5330061414839865 Energy: 0.6005729020247419 Energy: 0.600575077578211 Energy: 0.6541052743240726 Energy: 0.5877205883616294 Energy: 0.5877209584185855 Energy: 0.5654865304136129 Energy: 0.6160313648663162 Energy: 0.6160343239809306 Energy: 0.5525907659643472 Energy: 0.6583998725307852 Energy: 0.658398081691197 Energy: 0.5525909498905853 Energy: 0.5918586997646651 Energy: 0.5918588622640647 Energy: 0.5800045286982914 Energy: 0.5275884377189304 Energy: 0.5275925608311253 Energy: 0.6970041937567094 Energy: 0.5404489827101273 Energy: 0.5404489827048184 Energy: 0.5800013493936578 Energy: 0.5759534984255178 Energy: 0.5759575907339394 Energy: 0.5646346992636395 Energy: 0.5902846744674719 Energy: 0.5902882288080333 minimum gb energy = 0.5275884377189304 eV minimum distance = 2.49813038334545 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5284108122923331 Energy: 0.5383996700342859 Energy: 0.5384000442600684 Energy: 0.591081965407493 Energy: 0.5226117935268488 Energy: 0.5226121527731115 Energy: 0.5941784221254286 Energy: 0.6435582416016149 Energy: 0.6435532507242757 Energy: 0.5470561336563265 Energy: 0.5996255676894521 Energy: 0.5996238179195442 Energy: 0.5284107964413208 Energy: 0.5957911548580945 Energy: 0.5957911548373812 Energy: 0.617169999588917 Energy: 0.5515536269527539 Energy: 0.551553626955343 Energy: 0.5402788997941289 Energy: 0.5764840431161699 Energy: 0.5764840801009629 Energy: 0.5402792842218753 Energy: 0.5656300332662325 Energy: 0.5656304630717858 Energy: 0.6844610567878627 Energy: 0.5667346554163797 Energy: 0.5667374994943187 Energy: 0.5470558306277719 Energy: 0.5979878099131463 Energy: 0.5979877852660916 minimum gb energy = 0.5226117935268488 eV minimum distance = 2.50022447711595 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5332687578431705 Energy: 0.5424015546634182 Energy: 0.5424045326224932 Energy: 0.5554242238959761 Energy: 0.5748856227394679 Energy: 0.5748837919507177 Energy: 0.6435292574437371 Energy: 0.5389375407453058 Energy: 0.5389405479037968 Energy: 0.5601516085441919 Energy: 0.590063506614667 Energy: 0.5900646816260628 Energy: 0.5641707521485292 Energy: 0.6420145264445583 Energy: 0.6420199201577816 Energy: 0.5975899476484586 Energy: 0.5864312650828315 Energy: 0.5864315125761711 Energy: 0.5361146791926955 Energy: 0.6043338526409265 Energy: 0.604339320656705 Energy: 0.5592891040530421 Energy: 0.6625439407786957 Energy: 0.6625440746328014 Energy: 0.5758525705005482 Energy: 0.5845572430655273 Energy: 0.5845572430760384 Energy: 0.6940971299934899 Energy: 0.6007795026820862 Energy: 0.6007795766914676 minimum gb energy = 0.5332687578431705 eV minimum distance = 2.5032753838404 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5488534478017612 Energy: 0.5418487030765311 Energy: 0.541855144316997 Energy: 0.5711715393979335 Energy: 0.5706212924073917 Energy: 0.5706216402145213 Energy: 0.5975392027733083 Energy: 0.5484498831513794 Energy: 0.5484493909752909 Energy: 0.5545435570881574 Energy: 0.5579562732117103 Energy: 0.5579541887724526 Energy: 0.6987192848172721 Energy: 0.5443184855537808 Energy: 0.5443126709186538 Energy: 0.6311497087054899 Energy: 0.6214429569544409 Energy: 0.6214585987947551 Energy: 0.55997308537759 Energy: 0.6220868953429541 Energy: 0.6220870455980623 Energy: 0.5659752192460467 Energy: 0.5394488557253034 Energy: 0.5394550011219907 Energy: 0.5746739872468932 Energy: 0.6110834347503054 Energy: 0.611083443442949 Energy: 0.5415297315311642 Energy: 0.6129051430422867 Energy: 0.6129021263414559 minimum gb energy = 0.5394488557253034 eV minimum distance = 2.51361244851199 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5409446203766498 Energy: 0.5399243512155035 Energy: 0.5399243267971416 Energy: 0.662221402529986 Energy: 0.5414901137869395 Energy: 0.5414908141959459 Energy: 0.5475804015702224 Energy: 0.566773099806096 Energy: 0.566772613900174 Energy: 0.6975742426238806 Energy: 0.5403390957304445 Energy: 0.5403403260415997 Energy: 0.5860196537227308 Energy: 0.5678334253874587 Energy: 0.5678333535788758 Energy: 0.5988318049671182 Energy: 0.538559244725345 Energy: 0.5385551840776047 Energy: 0.5568632586020045 Energy: 0.5816089060771122 Energy: 0.5816005412841114 Energy: 0.5590684030736062 Energy: 0.5425983395909767 Energy: 0.5425991508418186 Energy: 0.5645738663723942 Energy: 0.5372204972724404 Energy: 0.5372269637244759 Energy: 0.6106523025055713 Energy: 0.5656197643256925 Energy: 0.565620009231529 minimum gb energy = 0.5372204972724404 eV minimum distance = 2.5606622797564 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.536109798430333 Energy: 0.5381999443614778 Energy: 0.5381998697841552 Energy: 0.5473752026323266 Energy: 0.5595737931254627 Energy: 0.5595735648318239 Energy: 0.5533178148025344 Energy: 0.5649562286258744 Energy: 0.564954293066708 Energy: 0.561809581814507 Energy: 0.5803810588340867 Energy: 0.5803823179271073 Energy: 0.56047557732452 Energy: 0.5821558352283603 Energy: 0.5821497059317076 Energy: 0.585668293147677 Energy: 0.5716390123535846 Energy: 0.5716296474632757 Energy: 0.619150213589856 Energy: 0.5457546714775057 Energy: 0.5457574314944046 Energy: 0.6333865179875653 Energy: 0.5301680638204455 Energy: 0.5301659761194325 Energy: 0.5627312071414717 Energy: 0.5394991244648923 Energy: 0.5394932197340493 Energy: 0.6166402042320489 Energy: 0.5436238521645564 Energy: 0.5436238572819424 minimum gb energy = 0.5301659761194325 eV minimum distance = 2.56396051623469 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.49315178909716584 Energy: 0.5255546871316815 Energy: 0.5255546868707619 Energy: 0.6166651755222498 Energy: 0.4931517889160127 Energy: 0.49315178974128554 Energy: 0.5914196710225214 Energy: 0.4935125150616935 Energy: 0.49351274562704706 Energy: 0.4931517893871462 Energy: 0.4716521728100419 Energy: 0.4716521728045304 Energy: 0.4931517883922192 Energy: 0.4931517883911169 Energy: 0.49315179249934327 Energy: 0.5650708928926266 Energy: 0.49351253722706606 Energy: 0.4935127987460634 Energy: 0.5581845647199429 Energy: 0.5099537411674574 Energy: 0.5099538953697704 Energy: 0.5650708929007936 Energy: 0.4931517883950752 Energy: 0.4931517899358667 Energy: 0.5650708929036496 Energy: 0.4931517884411463 Energy: 0.49315178925757575 Energy: 0.5318046133605793 Energy: 0.5099537724452531 Energy: 0.5099537503310123 minimum gb energy = 0.4716521728045304 eV minimum distance = 2.60732851886134 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5111268961129876 Energy: 0.5318801796006168 Energy: 0.5318885923307625 Energy: 0.5072241299301883 Energy: 0.5635362672475559 Energy: 0.5635289680412536 Energy: 0.5161587938515155 Energy: 0.5615207639249993 Energy: 0.5615108461083863 Energy: 0.5036150607727408 Energy: 0.5537522991167646 Energy: 0.5537449688133136 Energy: 0.5883996165455667 Energy: 0.5305334494339958 Energy: 0.5305335190388878 Energy: 0.5421630496281236 Energy: 0.5048223151642204 Energy: 0.5048216239777724 Energy: 0.5037652941815602 Energy: 0.510828237168413 Energy: 0.5108289638530978 Energy: 0.5201818228852242 Energy: 0.5084233782836882 Energy: 0.508407500276741 Energy: 0.536056054146172 Energy: 0.5437642322187639 Energy: 0.5437683899088941 Energy: 0.5427973048206393 Energy: 0.6098144868043784 Energy: 0.6098154893284253 minimum gb energy = 0.5036150607727408 eV minimum distance = 2.58468307179667 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5141824049237534 Energy: 0.5300803855246434 Energy: 0.5300795599941457 Energy: 0.5046030411682926 Energy: 0.5217221219360667 Energy: 0.5217241628103648 Energy: 0.5505066530687815 Energy: 0.5029010938370098 Energy: 0.5028942917825692 Energy: 0.5302541886094116 Energy: 0.5569616222340023 Energy: 0.5569616294729195 Energy: 0.5159740748988627 Energy: 0.5634390896295964 Energy: 0.5634429552391698 Energy: 0.5638420792776035 Energy: 0.52933637229118 Energy: 0.5293323897278758 Energy: 0.5128215538565712 Energy: 0.5681625289652394 Energy: 0.568162785532869 Energy: 0.5182669697407992 Energy: 0.6604483642207369 Energy: 0.660437574490904 Energy: 0.5581599271558225 Energy: 0.5082734395780354 Energy: 0.5082812695573568 Energy: 0.5191104835912967 Energy: 0.5041612982049487 Energy: 0.5041613003351471 minimum gb energy = 0.5028942917825692 eV minimum distance = 2.58471383923774 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5092128185920118 Energy: 0.5344590320904095 Energy: 0.5344669854813036 Energy: 0.53414509016728 Energy: 0.5298969464747086 Energy: 0.5298929897948833 Energy: 0.5108297809027863 Energy: 0.5312934417913368 Energy: 0.531290617412947 Energy: 0.5016409011360543 Energy: 0.5378911974159497 Energy: 0.5378736940926869 Energy: 0.5249306944992739 Energy: 0.5449592231951075 Energy: 0.5449618383539829 Energy: 0.5675990765885324 Energy: 0.4980045162278608 Energy: 0.4980072055999837 Energy: 0.5096411154579279 Energy: 0.5401993117345693 Energy: 0.5401959657089996 Energy: 0.5081747617300055 Energy: 0.5745245754155355 Energy: 0.5745253671638061 Energy: 0.5111988031395716 Energy: 0.5016410377881025 Energy: 0.5016488345764212 Energy: 0.5045325887911789 Energy: 0.5683437951388687 Energy: 0.5683428251630293 minimum gb energy = 0.4980045162278608 eV minimum distance = 2.56212311605474 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5080144990911117 Energy: 0.535957984719519 Energy: 0.5359581004144713 Energy: 0.5026883517759745 Energy: 0.5651240300517929 Energy: 0.5651241778457325 Energy: 0.4921340976778381 Energy: 0.5625747416269824 Energy: 0.5625747111083261 Energy: 0.5222825574782753 Energy: 0.506812523383258 Energy: 0.5068120377471518 Energy: 0.5604208183414853 Energy: 0.5563614997056532 Energy: 0.5563597718776969 Energy: 0.6304997916589414 Energy: 0.49483258577481787 Energy: 0.4948323857473401 Energy: 0.5939088625619795 Energy: 0.4945790649095933 Energy: 0.4945691598650105 Energy: 0.4911471443400473 Energy: 0.5563648850844354 Energy: 0.5563677717590203 Energy: 0.5222955503477061 Energy: 0.5001659035529881 Energy: 0.5001728834964502 Energy: 0.49954275785258917 Energy: 0.5683173360751607 Energy: 0.5683173492595374 minimum gb energy = 0.4911471443400473 eV minimum distance = 2.58236428943141 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5140464526023216 Energy: 0.5253130612615184 Energy: 0.5253188336481501 Energy: 0.5921441914216284 Energy: 0.5020315709958012 Energy: 0.5020323986877602 Energy: 0.5018071865125354 Energy: 0.621541989828395 Energy: 0.6215426303564997 Energy: 0.6427327963524853 Energy: 0.49715497833221683 Energy: 0.49715506890408934 Energy: 0.5093011750855068 Energy: 0.6923629475107936 Energy: 0.6923629048721435 Energy: 0.638371297383729 Energy: 0.5021958686833654 Energy: 0.5021913697640006 Energy: 0.5173108823135061 Energy: 0.5429999108685932 Energy: 0.5430033133426742 Energy: 0.5629336712722852 Energy: 0.5293649188350212 Energy: 0.5293649406772026 Energy: 0.5021435474333621 Energy: 0.5944423800707442 Energy: 0.5944433523588353 Energy: 0.6245918971442594 Energy: 0.4975351149341058 Energy: 0.49752787979007507 minimum gb energy = 0.49715497833221683 eV minimum distance = 2.57172738374673 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5104624092055464 Energy: 0.5142468752607215 Energy: 0.5142418981154293 Energy: 0.4986071444228925 Energy: 0.498883159743425 Energy: 0.49888951921547126 Energy: 0.499911531615915 Energy: 0.5007084399232354 Energy: 0.5007115245926254 Energy: 0.496056017205786 Energy: 0.5782462057028366 Energy: 0.5782471177286678 Energy: 0.5524498693724655 Energy: 0.5218908090027171 Energy: 0.5218886815421944 Energy: 0.5073189431759755 Energy: 0.5815184970398501 Energy: 0.581518968634306 Energy: 0.5192523827090352 Energy: 0.5333676124611472 Energy: 0.5333715920736634 Energy: 0.48924310416251704 Energy: 0.583059536544201 Energy: 0.5830513532705281 Energy: 0.48934843072524836 Energy: 0.5939922676779092 Energy: 0.5939922680666562 Energy: 0.5028129546062245 Energy: 0.5133717881846854 Energy: 0.5133718421767387 minimum gb energy = 0.48924310416251704 eV minimum distance = 2.5691785346328 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.49042308810259405 Energy: 0.48352960124779265 Energy: 0.48352976669105274 Energy: 0.4718644211345505 Energy: 0.513484256010239 Energy: 0.5134841735020022 Energy: 0.47186366604255625 Energy: 0.7046038882367543 Energy: 0.7046030860103553 Energy: 0.4684811862151125 Energy: 0.5786370213230037 Energy: 0.5786370221029863 Energy: 0.4904230655101683 Energy: 0.4953058663783062 Energy: 0.4953071214844682 Energy: 0.526963349021316 Energy: 0.4728290837669611 Energy: 0.47283279089184654 Energy: 0.5275982497103513 Energy: 0.47282911306742265 Energy: 0.47284120256974793 Energy: 0.4904231071120259 Energy: 0.5786370217353795 Energy: 0.5786370213052497 Energy: 0.46848119038627345 Energy: 0.5409952739648127 Energy: 0.5409788127463517 Energy: 0.4718645132881995 Energy: 0.49042309399852096 Energy: 0.4904232258881714 minimum gb energy = 0.4684811862151125 eV minimum distance = 2.5757447110997 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5232073218343248 Energy: 0.5058709013341216 Energy: 0.5058697132046311 Energy: 0.48207911287096805 Energy: 0.5584249101469562 Energy: 0.5584134623659378 Energy: 0.4810439709011879 Energy: 0.5447089943093563 Energy: 0.544709084810231 Energy: 0.5330910742196281 Energy: 0.5959047656317173 Energy: 0.595905813699609 Energy: 0.5642211007776249 Energy: 0.4780086369561607 Energy: 0.47800886609761795 Energy: 0.5335623866271751 Energy: 0.5167691791635084 Energy: 0.5167629300377178 Energy: 0.5181681542498038 Energy: 0.5318646997224109 Energy: 0.531866064018626 Energy: 0.4761542948712996 Energy: 0.5800398319932855 Energy: 0.5800414007477745 Energy: 0.4841571700995444 Energy: 0.5952900213216508 Energy: 0.5952899603209277 Energy: 0.47858908888817703 Energy: 0.6011498089141556 Energy: 0.6011513058706256 minimum gb energy = 0.4761542948712996 eV minimum distance = 2.57067745265351 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.49391070757131794 Energy: 0.48773204166897655 Energy: 0.48773672892520037 Energy: 0.47617809877036776 Energy: 0.5390647886142657 Energy: 0.5390647329481772 Energy: 0.5128397455216115 Energy: 0.48190404487216054 Energy: 0.4819058426765289 Energy: 0.5090803743252292 Energy: 0.548982021394826 Energy: 0.5489769348674065 Energy: 0.4818353764276177 Energy: 0.5330039202136733 Energy: 0.5330012146380583 Energy: 0.4813939479406913 Energy: 0.5920631004612943 Energy: 0.5920653921248782 Energy: 0.4818358445333593 Energy: 0.48788656385029494 Energy: 0.4878897711385823 Energy: 0.5567465319990318 Energy: 0.494785812806708 Energy: 0.494786354842149 Energy: 0.48642523354909023 Energy: 0.48377749121692587 Energy: 0.48378006253098566 Energy: 0.476177612160789 Energy: 0.6468703102565868 Energy: 0.6468666301805915 minimum gb energy = 0.476177612160789 eV minimum distance = 2.49306346264127 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5140078088077986 Energy: 0.49182085844043016 Energy: 0.49182112659691934 Energy: 0.5946688607379014 Energy: 0.5048429386898706 Energy: 0.5048383515913892 Energy: 0.4744123256010194 Energy: 0.6865827753550489 Energy: 0.6865826825353041 Energy: 0.5810580283237388 Energy: 0.4681219928194675 Energy: 0.46812159192444763 Energy: 0.4667623885981677 Energy: 0.6458155664435992 Energy: 0.6458093172463375 Energy: 0.5832908096035172 Energy: 0.50875085114835 Energy: 0.5087508088203648 Energy: 0.47589108658362367 Energy: 0.586588601055242 Energy: 0.5865886046870347 Energy: 0.6083253423347162 Energy: 0.5243214698084748 Energy: 0.524320589372935 Energy: 0.47324670101461136 Energy: 0.5615683503825025 Energy: 0.5615761442347 Energy: 0.597175153827043 Energy: 0.5246380623694321 Energy: 0.5246304988758298 minimum gb energy = 0.4667623885981677 eV minimum distance = 2.49267031813365 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.5070898109888231 Energy: 0.4846459202930227 Energy: 0.4846461571582399 Energy: 0.46769885339568307 Energy: 0.602488953131301 Energy: 0.6024879164202515 Energy: 0.47205273006791965 Energy: 0.5367511040660689 Energy: 0.5367513405102875 Energy: 0.5083401958362364 Energy: 0.479052087696308 Energy: 0.4790452445366597 Energy: 0.4676450045437611 Energy: 0.4694987275805864 Energy: 0.4694989027482872 Energy: 0.4728737418243717 Energy: 0.6206911617290556 Energy: 0.6206911320106521 Energy: 0.47116566751827554 Energy: 0.5205680139314984 Energy: 0.5205678549240558 Energy: 0.4660387832997402 Energy: 0.6003451395620263 Energy: 0.6003462865484643 Energy: 0.5030487989230205 Energy: 0.5003726831909078 Energy: 0.5003734437099574 Energy: 0.5559003474328501 Energy: 0.5187102978092627 Energy: 0.518710288178965 minimum gb energy = 0.4660387832997402 eV minimum distance = 2.51038775996648 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.5288170785461568 Energy: 0.4520602366692811 Energy: 0.4520592654304296 Energy: 0.45646460026308705 Energy: 0.5072021872718148 Energy: 0.5072021736219177 Energy: 0.5046155754250323 Energy: 0.47191802555003914 Energy: 0.4719180285812176 Energy: 0.44072348434734565 Energy: 0.5260377309851874 Energy: 0.5260377315441385 Energy: 0.45626205834482364 Energy: 0.5451173590943695 Energy: 0.5451170774840046 Energy: 0.6196117034156903 Energy: 0.45646591157260974 Energy: 0.45646488492377174 Energy: 0.4564653175234663 Energy: 0.46943806806990196 Energy: 0.46943697205234025 Energy: 0.5288253554203673 Energy: 0.5129260644640412 Energy: 0.5129255506319114 Energy: 0.5288171954927159 Energy: 0.4520587160222358 Energy: 0.45205856329457395 Energy: 0.45646536887866496 Energy: 0.47191802330056254 Energy: 0.4719180232158405 minimum gb energy = 0.44072348434734565 eV minimum distance = 2.5926564578617 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5468743749286017 Energy: 0.480500094716503 Energy: 0.4804938861123562 Energy: 0.4452673960380673 Energy: 0.5989607598005326 Energy: 0.5989589940611825 Energy: 0.46857825156066113 Energy: 0.4992117525654116 Energy: 0.49920220649276653 Energy: 0.4431989199498397 Energy: 0.5508480094592307 Energy: 0.5508496364495291 Energy: 0.4436821297778555 Energy: 0.45148290467309593 Energy: 0.4514840102535415 Energy: 0.4401038245417925 Energy: 0.5836513456163412 Energy: 0.5836525232901998 Energy: 0.43887471624595076 Energy: 0.5015707833977305 Energy: 0.5015620178026625 Energy: 0.6103285865578373 Energy: 0.48640553615411675 Energy: 0.48640638583155327 Energy: 0.5368127477540365 Energy: 0.5414785783575894 Energy: 0.5414786833710304 Energy: 0.5741482461101625 Energy: 0.48249444276391107 Energy: 0.482494441904708 minimum gb energy = 0.43887471624595076 eV minimum distance = 2.52429217222642 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.46173227092318125 Energy: 0.4539768445416911 Energy: 0.4539774071095168 Energy: 0.44818499060979966 Energy: 0.44851299470000444 Energy: 0.44850989660645674 Energy: 0.43930572225926556 Energy: 0.4416241616111818 Energy: 0.44163051002604703 Energy: 0.4308237014339319 Energy: 0.5333395486017838 Energy: 0.533341896416941 Energy: 0.5575959571329928 Energy: 0.4360486134012698 Energy: 0.43604747250827197 Energy: 0.4393000503266211 Energy: 0.6164058540990786 Energy: 0.6164058816691116 Energy: 0.436623493043411 Energy: 0.5311606714014251 Energy: 0.5311623175463938 Energy: 0.5874848367066706 Energy: 0.4402014170404299 Energy: 0.44019985683775215 Energy: 0.4419246571973642 Energy: 0.4865200905941611 Energy: 0.4865235708849229 Energy: 0.4329916061410756 Energy: 0.532813553651073 Energy: 0.5328110572101379 minimum gb energy = 0.4308237014339319 eV minimum distance = 2.50900891409386 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.449498376819577 Energy: 0.43317260423963466 Energy: 0.43316837786801077 Energy: 0.4274409144569142 Energy: 0.49963592440385857 Energy: 0.4996379179433725 Energy: 0.43056141102403145 Energy: 0.4373919948936672 Energy: 0.43739068456520075 Energy: 0.43317016713850287 Energy: 0.44036617277792867 Energy: 0.44035491018835915 Energy: 0.5059214236269642 Energy: 0.5075023578639551 Energy: 0.5075018906357782 Energy: 0.42743851882970957 Energy: 0.43739120812011073 Energy: 0.4373905151226988 Energy: 0.4364009124046029 Energy: 0.49980581311967004 Energy: 0.499797273091865 Energy: 0.574604905798445 Energy: 0.5075100908489474 Energy: 0.5075018873421733 Energy: 0.4315238447247213 Energy: 0.4312239118259659 Energy: 0.43122518951259603 Energy: 0.43639846849055386 Energy: 0.5832000978265355 Energy: 0.5832024387342813 minimum gb energy = 0.42743851882970957 eV minimum distance = 2.52197325346926 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5186452730982939 Energy: 0.4290126963656773 Energy: 0.42901277279811506 Energy: 0.42085286272236194 Energy: 0.4305430775905628 Energy: 0.4305439507116815 Energy: 0.42081279087681756 Energy: 0.5881181432651479 Energy: 0.5881181324719177 Energy: 0.42225642536220837 Energy: 0.42926049694620166 Energy: 0.4292630350994112 Energy: 0.4180312184867167 Energy: 0.46866859284678153 Energy: 0.46867591036602246 Energy: 0.5106790433097096 Energy: 0.5190558495132147 Energy: 0.5190592312469985 Energy: 0.42500253493779255 Energy: 0.5789202358260498 Energy: 0.5789109401262318 Energy: 0.5994267366729477 Energy: 0.4242095199005051 Energy: 0.4242126379376028 Energy: 0.4273723014941365 Energy: 0.5988018469344787 Energy: 0.5988020367712203 Energy: 0.4208118671341581 Energy: 0.502637315554416 Energy: 0.5026373846950363 minimum gb energy = 0.4180312184867167 eV minimum distance = 2.56597184793647 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5164136469658451 Energy: 0.5017198111839136 Energy: 0.5017198739369247 Energy: 0.42169805526446924 Energy: 0.5103239749558032 Energy: 0.5103252651994352 Energy: 0.5080320962091125 Energy: 0.5243023061920195 Energy: 0.5243075887748608 Energy: 0.4263335170959706 Energy: 0.518520863884417 Energy: 0.5185208647543543 Energy: 0.5147742177300709 Energy: 0.438792395819498 Energy: 0.4387862681774021 Energy: 0.4251143306234633 Energy: 0.6073267340134227 Energy: 0.607326917217915 Energy: 0.4240110598635101 Energy: 0.5533398955587591 Energy: 0.5533389901546982 Energy: 0.6156291546966493 Energy: 0.459581644458107 Energy: 0.45958604819059923 Energy: 0.4267276500489928 Energy: 0.6134013218235634 Energy: 0.6133988934670586 Energy: 0.5096357115661109 Energy: 0.5243144433209039 Energy: 0.5243027007826078 minimum gb energy = 0.42169805526446924 eV minimum distance = 2.49194876024256 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4139834582561915 Energy: 0.6435835823862528 Energy: 0.643585208587322 Energy: 0.4007827891568013 Energy: 0.6677118007287115 Energy: 0.6677134257560778 Energy: 0.39744701344050215 Energy: 0.5316846619808038 Energy: 0.5316842044383109 Energy: 0.4111156181330215 Energy: 0.6269701644791552 Energy: 0.6269714849801427 Energy: 0.397447281453481 Energy: 0.6371661117161552 Energy: 0.6371661242742579 Energy: 0.41111561726578566 Energy: 0.5418826883053652 Energy: 0.5418811600186788 Energy: 0.3924562657287509 Energy: 0.5604598402085466 Energy: 0.5604695813564783 Energy: 0.4139826484077632 Energy: 0.5203298641317211 Energy: 0.520329864231255 Energy: 0.39245635127621153 Energy: 0.6489379730136323 Energy: 0.6490325515766115 Energy: 0.3974493456784445 Energy: 0.5203299538261298 Energy: 0.5203298941507233 minimum gb energy = 0.3924562657287509 eV minimum distance = 2.53328944314289 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.48275118865128647 Energy: 0.6375684063237231 Energy: 0.6375684535342286 Energy: 0.39803796547215503 Energy: 0.5791638709013829 Energy: 0.5791651304360428 Energy: 0.5410745702181045 Energy: 0.43840995207588035 Energy: 0.43841007341138427 Energy: 0.39279640259985954 Energy: 0.503572827221142 Energy: 0.5035771850718861 Energy: 0.4028533729667437 Energy: 0.5416893101586144 Energy: 0.5416939600548617 Energy: 0.4125527019030866 Energy: 0.49712410134118773 Energy: 0.497123028223752 Energy: 0.39520243497721347 Energy: 0.474760478591565 Energy: 0.47475457076228955 Energy: 0.6092002298889797 Energy: 0.4342893804430909 Energy: 0.43428968852053895 Energy: 0.3971848573492679 Energy: 0.5752760598486183 Energy: 0.5752756819189292 Energy: 0.39855889002438294 Energy: 0.6142600270349092 Energy: 0.6142513344801883 minimum gb energy = 0.39279640259985954 eV minimum distance = 2.57147791232819 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.49734443704431497 Energy: 0.6235501137756598 Energy: 0.623550113763554 Energy: 0.38528490251363123 Energy: 0.500262396200692 Energy: 0.5002601557684794 Energy: 0.47047168937726774 Energy: 0.48605372200037755 Energy: 0.4860521632268359 Energy: 0.3959524692606358 Energy: 0.5390165008452472 Energy: 0.5390163973760412 Energy: 0.3959502456163571 Energy: 0.6174955684020119 Energy: 0.6174963584881519 Energy: 0.38795011082822123 Energy: 0.5485565841879383 Energy: 0.5485564474436678 Energy: 0.5134118022683075 Energy: 0.3861940340550576 Energy: 0.38619441367021523 Energy: 0.4970213593134059 Energy: 0.5390165995156911 Energy: 0.5390190981939554 Energy: 0.3852867048923022 Energy: 0.4532400130567889 Energy: 0.45323936542990745 Energy: 0.387948508317748 Energy: 0.5911408135362858 Energy: 0.5911405773678727 minimum gb energy = 0.38528490251363123 eV minimum distance = 2.52414023322891 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5206317695650177 Energy: 0.6179717176476939 Energy: 0.617972002738161 Energy: 0.43725409133124576 Energy: 0.45554781084384993 Energy: 0.4555440420575581 Energy: 0.3919304877421257 Energy: 0.6230400914459395 Energy: 0.6230400935846825 Energy: 0.5234424217829842 Energy: 0.3865993872940493 Energy: 0.3866010029257035 Energy: 0.38966521667069876 Energy: 0.606904447820256 Energy: 0.6069041647295901 Energy: 0.5665976147445145 Energy: 0.4191814344276587 Energy: 0.419176886761872 Energy: 0.38851697548378383 Energy: 0.5964190541380331 Energy: 0.5964189361744227 Energy: 0.5832660288588007 Energy: 0.41917846254635854 Energy: 0.4191817653636906 Energy: 0.38851720177354815 Energy: 0.600818300044536 Energy: 0.6008211375034456 Energy: 0.44727802858224375 Energy: 0.41859891858645215 Energy: 0.4185987066083686 minimum gb energy = 0.3865993872940493 eV minimum distance = 2.52389882463417 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.39667927417120713 Energy: 0.5848683325983979 Energy: 0.5848683339065998 Energy: 0.37200365198447394 Energy: 0.5436693936715462 Energy: 0.5436700549523428 Energy: 0.4728691987193547 Energy: 0.37455246139823983 Energy: 0.37455443572063657 Energy: 0.37455189787967247 Energy: 0.5529837910929152 Energy: 0.5529826316012217 Energy: 0.37455419260412376 Energy: 0.5810049442766758 Energy: 0.581004944753022 Energy: 0.3643417136344377 Energy: 0.5383210603943236 Energy: 0.5383209542479904 Energy: 0.3720040357426568 Energy: 0.3745518665363314 Energy: 0.3745557315145684 Energy: 0.3966788624141493 Energy: 0.5895340969624889 Energy: 0.5895355345570059 Energy: 0.3720037133790166 Energy: 0.5713414322492278 Energy: 0.5713392835485764 Energy: 0.3618796518589599 Energy: 0.4539868355417462 Energy: 0.4539865070510469 minimum gb energy = 0.3618796518589599 eV minimum distance = 2.52796685378121 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.45636513171939497 Energy: 0.5753037360406783 Energy: 0.5753023077727628 Energy: 0.3528741660822979 Energy: 0.5883980262982627 Energy: 0.5883974077966266 Energy: 0.3550471944657321 Energy: 0.4450804583965677 Energy: 0.4450810712346123 Energy: 0.5266073841392845 Energy: 0.40578293526014386 Energy: 0.40577992534849594 Energy: 0.4364889847659767 Energy: 0.5444667707680388 Energy: 0.5444665551560632 Energy: 0.3643960588655546 Energy: 0.5744014600999172 Energy: 0.5744055656546971 Energy: 0.3624692345594659 Energy: 0.576512415374384 Energy: 0.576513950658498 Energy: 0.51776357300388 Energy: 0.5127762651570618 Energy: 0.5127784721108104 Energy: 0.39928263097174 Energy: 0.3579819955549947 Energy: 0.3579820216458388 Energy: 0.35263555986324496 Energy: 0.5110401575037777 Energy: 0.5110398128317226 minimum gb energy = 0.35263555986324496 eV minimum distance = 2.52317750266456 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.4848489065767066 Energy: 0.5475796242361783 Energy: 0.5475809994200878 Energy: 0.4270772256394917 Energy: 0.34773924534157025 Energy: 0.34773805239688055 Energy: 0.34285542414942644 Energy: 0.5439052526290009 Energy: 0.5439051880808023 Energy: 0.3407336284621057 Energy: 0.35534669275854336 Energy: 0.3553490691346401 Energy: 0.342856047843968 Energy: 0.5523662151458993 Energy: 0.55236561319327 Energy: 0.34285534683695956 Energy: 0.41948119159898517 Energy: 0.41948015396500177 Energy: 0.3414408234576789 Energy: 0.530121800027029 Energy: 0.5301217051491689 Energy: 0.4844123872925489 Energy: 0.5251780008636454 Energy: 0.5251762585212091 Energy: 0.47632289652794757 Energy: 0.41948118657832584 Energy: 0.41948014872982875 Energy: 0.3428557601625255 Energy: 0.5687759142948648 Energy: 0.5687763974107165 minimum gb energy = 0.3407336284621057 eV minimum distance = 2.58763811583924 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.49094399372707326 Energy: 0.5387389146608118 Energy: 0.538739000740392 Energy: 0.40540096255446834 Energy: 0.42211056898551746 Energy: 0.42211057172479954 Energy: 0.3324136449606869 Energy: 0.527945213949049 Energy: 0.5279447178585616 Energy: 0.3574095417606855 Energy: 0.5459093748883164 Energy: 0.5459111768967262 Energy: 0.5389963998398012 Energy: 0.3659028278972829 Energy: 0.3659018441222102 Energy: 0.3357308844090169 Energy: 0.543271525294405 Energy: 0.5432714500127928 Energy: 0.32802868520269396 Energy: 0.46747145845850824 Energy: 0.4674698034755016 Energy: 0.5431571032350978 Energy: 0.4633873428427781 Energy: 0.46338646662256167 Energy: 0.3364419178102951 Energy: 0.53350153697315 Energy: 0.533499913120421 Energy: 0.3264745390754898 Energy: 0.48304831757158095 Energy: 0.4830487235469213 minimum gb energy = 0.3264745390754898 eV minimum distance = 2.50390694011437 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4466522621359403 Energy: 0.512227406299499 Energy: 0.5122272302033238 Energy: 0.326254587851799 Energy: 0.5317812387697578 Energy: 0.5317812776301464 Energy: 0.3185378913207552 Energy: 0.43834122880603016 Energy: 0.43834128256281596 Energy: 0.37542882014289847 Energy: 0.43665567836197083 Energy: 0.43665565798791905 Energy: 0.3185376497856407 Energy: 0.4364159929848229 Energy: 0.43641659149673495 Energy: 0.318537197762065 Energy: 0.5511679197800146 Energy: 0.5511676594271985 Energy: 0.3262547452387183 Energy: 0.577708895010251 Energy: 0.5777084808112632 Energy: 0.4464129670846868 Energy: 0.5247842247381517 Energy: 0.5247842976958208 Energy: 0.3968067531855991 Energy: 0.4410005208209523 Energy: 0.4410013370364945 Energy: 0.4374073532542059 Energy: 0.3176684980945626 Energy: 0.31766849809670133 minimum gb energy = 0.3176684980945626 eV minimum distance = 2.59343500187378 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.48639270763428644 Energy: 0.5024883243439029 Energy: 0.5024882686187012 Energy: 0.3115248884551764 Energy: 0.5369378935180386 Energy: 0.5369384927654264 Energy: 0.31204916738918786 Energy: 0.4989111404330769 Energy: 0.4989097208494687 Energy: 0.3702966159052559 Energy: 0.5070744671637383 Energy: 0.5070746613506172 Energy: 0.3702970180167013 Energy: 0.5025220878723 Energy: 0.5025220239600262 Energy: 0.310234600054591 Energy: 0.4038665743330083 Energy: 0.4038650123034842 Energy: 0.30859725839850455 Energy: 0.3773643890583491 Energy: 0.37736437781054544 Energy: 0.5310177630253329 Energy: 0.39887140025208045 Energy: 0.3988704324505303 Energy: 0.3833451786725217 Energy: 0.42352923808315046 Energy: 0.4235290388917138 Energy: 0.30761176189495104 Energy: 0.48027664789431757 Energy: 0.4802783291790361 minimum gb energy = 0.30761176189495104 eV minimum distance = 2.50431098470402 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4220867702694936 Energy: 0.4834026177203191 Energy: 0.4834002863007918 Energy: 0.31608884943764404 Energy: 0.483037974195128 Energy: 0.4830379741983742 Energy: 0.2888635935476967 Energy: 0.46717222789424717 Energy: 0.46717228695888396 Energy: 0.28993638366478247 Energy: 0.40363212673874066 Energy: 0.4036314510015046 Energy: 0.3641583050408812 Energy: 0.4036318027490756 Energy: 0.4036326846721022 Energy: 0.28886263006186325 Energy: 0.359585622177506 Energy: 0.3595852629683961 Energy: 0.3913515742098981 Energy: 0.48959056029412124 Energy: 0.4895906040342698 Energy: 0.4217914720504366 Energy: 0.4877479625256669 Energy: 0.48774795942970695 Energy: 0.3160888515685156 Energy: 0.4795623109640365 Energy: 0.4795623108657655 Energy: 0.3006269264569913 Energy: 0.4830380369717632 Energy: 0.4830380128192372 minimum gb energy = 0.28886263006186325 eV minimum distance = 2.61587352501541 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.43283178028538144 Energy: 0.4595615320051169 Energy: 0.4595615373996307 Energy: 0.4508148478330281 Energy: 0.32985043235870487 Energy: 0.3298504267309351 Energy: 0.27962194812916374 Energy: 0.3885358146034922 Energy: 0.38853555859692696 Energy: 0.2796216861011685 Energy: 0.46083150931591216 Energy: 0.460831934200808 Energy: 0.27214873087029634 Energy: 0.3823867829461937 Energy: 0.38238817278569714 Energy: 0.28595624890835475 Energy: 0.46414474822588475 Energy: 0.4641447834954838 Energy: 0.41847333493688854 Energy: 0.3756259137181013 Energy: 0.3756254836216121 Energy: 0.46775638078812093 Energy: 0.47050984079310126 Energy: 0.4705098031722403 Energy: 0.3695160163307813 Energy: 0.46573705882055694 Energy: 0.4657361206208372 Energy: 0.3324699451009825 Energy: 0.37112979475982205 Energy: 0.3711299841228351 minimum gb energy = 0.27214873087029634 eV minimum distance = 2.5325348156513 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4410443846506682 Energy: 0.43609442192090886 Energy: 0.43609466148587567 Energy: 0.39332587230486254 Energy: 0.4277789116648202 Energy: 0.42777870746505264 Energy: 0.2621988266573676 Energy: 0.31703488836684657 Energy: 0.3170351548859368 Energy: 0.27135093918763953 Energy: 0.43294525215562635 Energy: 0.43294526512030335 Energy: 0.2627521715323029 Energy: 0.43972320308016244 Energy: 0.43972375374068345 Energy: 0.31204490879278857 Energy: 0.35338860738028166 Energy: 0.3533887376445984 Energy: 0.2824137332813713 Energy: 0.4421070612318926 Energy: 0.44210705037501447 Energy: 0.4399887863988685 Energy: 0.440752001436355 Energy: 0.4407532705679621 Energy: 0.4507367796148356 Energy: 0.30649985936684165 Energy: 0.3064997389855324 Energy: 0.2713507914317265 Energy: 0.44733867211388767 Energy: 0.44733828643712215 minimum gb energy = 0.2621988266573676 eV minimum distance = 2.626198785987 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4174278796006127 Energy: 0.41644492231744773 Energy: 0.41644473717624075 Energy: 0.3276525857896651 Energy: 0.4671491847840341 Energy: 0.46714910812483756 Energy: 0.2552969887509037 Energy: 0.45136661896789004 Energy: 0.45136371013698934 Energy: 0.25529684870231856 Energy: 0.4203811938615979 Energy: 0.4203830509687771 Energy: 0.2552967829384077 Energy: 0.4161039581279553 Energy: 0.4161017044366264 Energy: 0.25529962561630604 Energy: 0.4250719598311689 Energy: 0.42507238194773433 Energy: 0.3276521410940052 Energy: 0.4161062102451925 Energy: 0.4161031723746722 Energy: 0.4405757680124926 Energy: 0.40711498049406886 Energy: 0.407114809948873 Energy: 0.3276521833798445 Energy: 0.42083083187996734 Energy: 0.42083083168142726 Energy: 0.24843422266118387 Energy: 0.3750188073114514 Energy: 0.37501879707376556 minimum gb energy = 0.24843422266118387 eV minimum distance = 2.55694184668916 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.41467573211810915 Energy: 0.4039205111787202 Energy: 0.4039201706438003 Energy: 0.3331550898477186 Energy: 0.3909656993966085 Energy: 0.39096419575228153 Energy: 0.3981614872167915 Energy: 0.2652165997433637 Energy: 0.2652166374402007 Energy: 0.2371447557312483 Energy: 0.4007437944561333 Energy: 0.4007437943698556 Energy: 0.24889087167393337 Energy: 0.4046824693891325 Energy: 0.4046823929112336 Energy: 0.24369367336182077 Energy: 0.3928470278592946 Energy: 0.39284699306616805 Energy: 0.5723551844108459 Energy: 0.24503357060360545 Energy: 0.24503354185462647 Energy: 0.45540179947510134 Energy: 0.40183695038837125 Energy: 0.40183694899931105 Energy: 0.3332872011370057 Energy: 0.43255575424326415 Energy: 0.43255575855450706 Energy: 0.25831666348630605 Energy: 0.40006303653946074 Energy: 0.40006258981118187 minimum gb energy = 0.2371447557312483 eV minimum distance = 2.61821498075732 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.4222783141620935 Energy: 0.3826439369352217 Energy: 0.3826438490029964 Energy: 0.4345472801415835 Energy: 0.2938511660663585 Energy: 0.29385052131704353 Energy: 0.2363892640346142 Energy: 0.37886916358059014 Energy: 0.37886865867246744 Energy: 0.22477798019526435 Energy: 0.3335498135697469 Energy: 0.3335416791758041 Energy: 0.23638911605014942 Energy: 0.3840305626115526 Energy: 0.38403032522394864 Energy: 0.23080195066055378 Energy: 0.3654352852517448 Energy: 0.3654266293662563 Energy: 0.2968846499798405 Energy: 0.3907558479156216 Energy: 0.39075583520052926 Energy: 0.41984629057620754 Energy: 0.37679644499642134 Energy: 0.37679627544255373 Energy: 0.3566316578293703 Energy: 0.3839102614399744 Energy: 0.3839100679228336 Energy: 0.23335348494167632 Energy: 0.3845945944597137 Energy: 0.3845931762272831 minimum gb energy = 0.22477798019526435 eV minimum distance = 2.61345088574578 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.40372349571950045 Energy: 0.3694414876252921 Energy: 0.3694409433457523 Energy: 0.2873829304225497 Energy: 0.36982142575792276 Energy: 0.3698212706343886 Energy: 0.2592743989022569 Energy: 0.3563233451988718 Energy: 0.3563226481250039 Energy: 0.21580819841544313 Energy: 0.3510187945029886 Energy: 0.3510197760453548 Energy: 0.22164246719523298 Energy: 0.37129774737707316 Energy: 0.3712977423069873 Energy: 0.22591411306226716 Energy: 0.40615838199578325 Energy: 0.4061583576504481 Energy: 0.2873829500937096 Energy: 0.3642657665263851 Energy: 0.36426577562538554 Energy: 0.43813983693789665 Energy: 0.35564625030382735 Energy: 0.3556464385227009 Energy: 0.4137003078771184 Energy: 0.27923881874334233 Energy: 0.27923841565582486 Energy: 0.2736964642216891 Energy: 0.34465749135201623 Energy: 0.3446534913625595 minimum gb energy = 0.21580819841544313 eV minimum distance = 2.57607618104747 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3873394286060016 Energy: 0.3556088095837494 Energy: 0.3556099431557843 Energy: 0.278939708158394 Energy: 0.35501414758026617 Energy: 0.3550162513147078 Energy: 0.21684940353472576 Energy: 0.3557854841346931 Energy: 0.35578538518115915 Energy: 0.21354230989719758 Energy: 0.3503158817873333 Energy: 0.35031753235761826 Energy: 0.21103630092758094 Energy: 0.3397026424043516 Energy: 0.33970201795130617 Energy: 0.4414634253673741 Energy: 0.2687562470788874 Energy: 0.2687560542317854 Energy: 0.3635180235122486 Energy: 0.29767304211853945 Energy: 0.29767304119154453 Energy: 0.41953834845494686 Energy: 0.3514015356340909 Energy: 0.35140149623276445 Energy: 0.3249933138667753 Energy: 0.3636161230647173 Energy: 0.36361616533103086 Energy: 0.22141631217621174 Energy: 0.3882829693261702 Energy: 0.3882831631002671 minimum gb energy = 0.21103630092758094 eV minimum distance = 2.62770016487146 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011786799441812752 Energy: 0.011786799445635229 Energy: 0.01178679945365649 Energy: 0.01178679944773462 Energy: 0.18274898722028438 Energy: 0.1827489872206409 Energy: 0.011786799451557098 Energy: 0.1827489872206409 Energy: 0.18274898721889798 Energy: 0.01178679944773462 Energy: 0.767911985956856 Energy: 0.7679119859613716 Energy: 0.011786799447378123 Energy: 0.7679119859641642 Energy: 0.7679119859585988 Energy: 0.01178679944773462 Energy: 0.18274898722097757 Energy: 0.18274898722238375 Energy: 0.01178679944773462 Energy: 0.18274898722097757 Energy: 0.18274898722446337 Energy: 0.011786799447378123 Energy: 0.011786799452963294 Energy: 0.011786799447041425 Energy: 0.011786799448071317 Energy: 0.18274898722167077 Energy: 0.18274898722377014 Energy: 0.011786799444942035 Energy: 0.1827489872185415 Energy: 0.1827489872206409 minimum gb energy = 0.011786799441812752 eV minimum distance = 2.83238235152499 Angstroms sigma value = 1