model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 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=4.040926471352577 cohesive_energy=3.905455928316686 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.012055372768789395 Energy: 0.012055372761427263 Energy: 0.012055372774171557 Energy: 0.012055372774673523 Energy: 0.01205537275702114 Energy: 0.012055372775175486 Energy: 0.012055372741320838 Energy: 0.012055372770741476 Energy: 0.012055372773697483 Energy: 0.012055372754567096 Energy: 0.012055372745224998 Energy: 0.012055372776625602 Energy: 0.012055372759475182 Energy: 0.01205537273738879 Energy: 0.012055372738866796 Energy: 0.45176776918267414 Energy: 0.012055372768789395 Energy: 0.012055372769765437 Energy: 0.012055372758973221 Energy: 0.012055372747679044 Energy: 0.012055372750635049 Energy: 0.012055372758973221 Energy: 0.012055372756519179 Energy: 0.01205537273543671 Energy: 0.012055372746228924 Energy: 0.012055372761427263 Energy: 0.012055372774673523 Energy: 0.01205537276828743 Energy: 0.012055372773195518 Energy: 0.012055372769765437 minimum gb energy = 0.01205537273543671 eV minimum distance = 2.85726653536791 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.5149868586466688 Energy: 0.43643973818469306 Energy: 0.4364394418623384 Energy: 0.4258455010796736 Energy: 0.43626083517307346 Energy: 0.43626082990372783 Energy: 0.4274889057506538 Energy: 0.4404069037888774 Energy: 0.44040679792022586 Energy: 0.43962967962593436 Energy: 0.4227192211050266 Energy: 0.42271928318036334 Energy: 0.4346110997209121 Energy: 0.43635794360025887 Energy: 0.4363580935621427 Energy: 0.3984231911578077 Energy: 0.4447285354659089 Energy: 0.44472620642891325 Energy: 0.43686245713938004 Energy: 0.43643993014572974 Energy: 0.4364392560909086 Energy: 0.4400927574914408 Energy: 0.4253062449019677 Energy: 0.4253060508634725 Energy: 0.43462192951063133 Energy: 0.4907997447379527 Energy: 0.49079974468998966 Energy: 0.4333355036216503 Energy: 0.4448757464578321 Energy: 0.44487607395019874 minimum gb energy = 0.3984231911578077 eV minimum distance = 2.62197537578079 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.5327499644856601 Energy: 0.45709393551650995 Energy: 0.4570944323849313 Energy: 0.41293465932501355 Energy: 0.4573229395805586 Energy: 0.45732268757989286 Energy: 0.42393997584066817 Energy: 0.4539187022037559 Energy: 0.4539179488151903 Energy: 0.43685635961471153 Energy: 0.45485604300605637 Energy: 0.454856517470589 Energy: 0.4070062420253829 Energy: 0.4565706003408926 Energy: 0.4565720328352148 Energy: 0.5099619975617012 Energy: 0.45485590945951554 Energy: 0.4548565350872982 Energy: 0.41239569713432295 Energy: 0.45418294637775813 Energy: 0.45418289183126853 Energy: 0.4134606276469692 Energy: 0.45485602470949266 Energy: 0.4548562667016471 Energy: 0.4634329498124866 Energy: 0.45437486312158665 Energy: 0.4543750094543594 Energy: 0.4133012826576887 Energy: 0.4682964156267229 Energy: 0.46829752006685216 minimum gb energy = 0.4070062420253829 eV minimum distance = 2.61789429608115 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.5265558786920767 Energy: 0.46409344739332137 Energy: 0.4640931012982589 Energy: 0.43606907478102896 Energy: 0.46380091998580236 Energy: 0.46380092186523025 Energy: 0.47072152279423296 Energy: 0.4512912219555901 Energy: 0.45129120362316094 Energy: 0.4501420407257695 Energy: 0.5298682313698583 Energy: 0.5298682291792571 Energy: 0.45872037066866794 Energy: 0.46410871887042643 Energy: 0.4641087195353099 Energy: 0.42179103604688656 Energy: 0.47381615211772926 Energy: 0.47381621297012577 Energy: 0.4491915515892695 Energy: 0.45346064469582426 Energy: 0.45346221977568274 Energy: 0.4587647228769601 Energy: 0.558869240073042 Energy: 0.5588692502544282 Energy: 0.4762138451742406 Energy: 0.45323232248885914 Energy: 0.45323202784135436 Energy: 0.43418175198432724 Energy: 0.47381612329202194 Energy: 0.4738154129059762 minimum gb energy = 0.42179103604688656 eV minimum distance = 2.61768248062136 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.533946823184909 Energy: 0.484382207437687 Energy: 0.48438220763325823 Energy: 0.46683934080775785 Energy: 0.5379703163035958 Energy: 0.5379703120351184 Energy: 0.4754998028477185 Energy: 0.4798351888213379 Energy: 0.4798352535642347 Energy: 0.47140600579108 Energy: 0.48438220642285096 Energy: 0.48438220583250596 Energy: 0.47643880362539487 Energy: 0.5397339876913999 Energy: 0.5397342400547321 Energy: 0.5075997613377143 Energy: 0.4661574848141327 Energy: 0.4661574848235074 Energy: 0.4764388561348627 Energy: 0.5550742587891007 Energy: 0.5550741761990505 Energy: 0.4332925149850929 Energy: 0.48438220481192645 Energy: 0.4843822048107037 Energy: 0.47898201418071423 Energy: 0.4802796180810777 Energy: 0.48027961839559236 Energy: 0.47113208260399025 Energy: 0.49892551114854844 Energy: 0.49892541410060404 minimum gb energy = 0.4332925149850929 eV minimum distance = 2.58779541800073 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.5395610291400071 Energy: 0.5080139334013756 Energy: 0.5080138369417991 Energy: 0.4910677099855349 Energy: 0.5009964198735625 Energy: 0.5009964817041898 Energy: 0.4709779484150476 Energy: 0.4959363916275893 Energy: 0.495936392889443 Energy: 0.45358031938506005 Energy: 0.5055676204627111 Energy: 0.5148057241901233 Energy: 0.4961973246026801 Energy: 0.49737115684390804 Energy: 0.4973710756287979 Energy: 0.44882691412818465 Energy: 0.5076256142116049 Energy: 0.507623695895421 Energy: 0.4961974863422276 Energy: 0.4823295828169355 Energy: 0.48232958210450944 Energy: 0.49619734884982597 Energy: 0.4695060017710461 Energy: 0.46950599473775817 Energy: 0.460034812638928 Energy: 0.4847261436282737 Energy: 0.4812996797259178 Energy: 0.49619763533661687 Energy: 0.4908621422597596 Energy: 0.4908618988049778 minimum gb energy = 0.44882691412818465 eV minimum distance = 2.57086372295246 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.5349788997437231 Energy: 0.5193537189082734 Energy: 0.5193537345263288 Energy: 0.49599968443069326 Energy: 0.5189476305325101 Energy: 0.51894765592737 Energy: 0.5000267532160425 Energy: 0.5300801250322277 Energy: 0.5300801257664077 Energy: 0.48862516396068695 Energy: 0.5145272343000481 Energy: 0.5145272349175735 Energy: 0.506199517278789 Energy: 0.49566344900486964 Energy: 0.4956635612524601 Energy: 0.5170331274423523 Energy: 0.5178769082350098 Energy: 0.5178769082067063 Energy: 0.4731961240650262 Energy: 0.5178769082159632 Energy: 0.5178769082374517 Energy: 0.4924382643234856 Energy: 0.4956634970443169 Energy: 0.495663482937576 Energy: 0.5000264138694442 Energy: 0.5300801858115711 Energy: 0.5300804857268724 Energy: 0.5202186527431736 Energy: 0.5069028761510508 Energy: 0.5069028817296904 minimum gb energy = 0.4731961240650262 eV minimum distance = 2.51047208004828 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5540942180466492 Energy: 0.549732618081162 Energy: 0.5497326186050371 Energy: 0.5030602753611219 Energy: 0.5497326182111453 Energy: 0.5497326181098393 Energy: 0.48032461721245684 Energy: 0.5505751331803985 Energy: 0.550575140446552 Energy: 0.4972092039370337 Energy: 0.5505751535871312 Energy: 0.5505751465647333 Energy: 0.4990428718323532 Energy: 0.5495753080594615 Energy: 0.549575307130362 Energy: 0.48963608436874595 Energy: 0.5495753069217877 Energy: 0.5495753068053053 Energy: 0.5287122261485263 Energy: 0.5505751520490615 Energy: 0.5505751484149009 Energy: 0.480311435103819 Energy: 0.5505751496983254 Energy: 0.5505751507748018 Energy: 0.5030255686032967 Energy: 0.5505751488396375 Energy: 0.5505751485833666 Energy: 0.5540287741336372 Energy: 0.5497326181125493 Energy: 0.5497326181586198 minimum gb energy = 0.480311435103819 eV minimum distance = 2.58962498852876 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5423765720397227 Energy: 0.5563188967045681 Energy: 0.5563189092804962 Energy: 0.5226647074188651 Energy: 0.5134293955245579 Energy: 0.513428919328332 Energy: 0.5466401982681776 Energy: 0.5243353389469647 Energy: 0.5243353209924692 Energy: 0.5864496065720566 Energy: 0.5329465145327295 Energy: 0.5329465374872738 Energy: 0.5290878092273131 Energy: 0.5301504172092343 Energy: 0.5301498375072696 Energy: 0.5290878058793367 Energy: 0.5301492927096538 Energy: 0.5301501012562251 Energy: 0.5864500678927961 Energy: 0.5301503858670669 Energy: 0.5301492324946417 Energy: 0.554492827349347 Energy: 0.5243353253396086 Energy: 0.5243353247950056 Energy: 0.5226647501479433 Energy: 0.5134289285830698 Energy: 0.5134289724433595 Energy: 0.542315500189368 Energy: 0.5237626576417973 Energy: 0.5237626416613045 minimum gb energy = 0.513428919328332 eV minimum distance = 2.51439631917627 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5846393156565467 Energy: 0.5442177600740027 Energy: 0.5442179412296395 Energy: 0.566392017283085 Energy: 0.5339027531471972 Energy: 0.5339013110106534 Energy: 0.5533947773633627 Energy: 0.5371820818057479 Energy: 0.5371820793094553 Energy: 0.5315704697149618 Energy: 0.5450203000289331 Energy: 0.5450208055229634 Energy: 0.5488031265319738 Energy: 0.5878326979808602 Energy: 0.5878327612368153 Energy: 0.5465797989843542 Energy: 0.5240464519961539 Energy: 0.5240464519446139 Energy: 0.5507304694823808 Energy: 0.5655267884440573 Energy: 0.5655272771676703 Energy: 0.5448769305564676 Energy: 0.5758721473934583 Energy: 0.5758697978973296 Energy: 0.5212305229761678 Energy: 0.5491502488117487 Energy: 0.5491502666656237 Energy: 0.5677383160366403 Energy: 0.5615282373498031 Energy: 0.561528235011727 minimum gb energy = 0.5212305229761678 eV minimum distance = 2.50363131940261 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5641880543959857 Energy: 0.5556808783095831 Energy: 0.555680889667783 Energy: 0.5640783108676598 Energy: 0.5350426545900884 Energy: 0.5350426565611668 Energy: 0.5899884184764456 Energy: 0.5556808776372761 Energy: 0.5556808894006774 Energy: 0.5139045401034813 Energy: 0.5556808760699794 Energy: 0.5556808845468408 Energy: 0.5381201886727027 Energy: 0.5936322086398124 Energy: 0.5936312291882168 Energy: 0.5210615748928172 Energy: 0.5543987782541507 Energy: 0.5543987685624736 Energy: 0.5226334474019784 Energy: 0.5904063816861809 Energy: 0.5904062758129819 Energy: 0.5248204857424729 Energy: 0.5556808799850977 Energy: 0.5556808763419436 Energy: 0.5532078985955544 Energy: 0.5584726372684357 Energy: 0.5584726397459923 Energy: 0.567072030841068 Energy: 0.5556808810847861 Energy: 0.555680878179154 minimum gb energy = 0.5139045401034813 eV minimum distance = 2.51264773998778 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5930417435954801 Energy: 0.550416581960408 Energy: 0.55041662137083 Energy: 0.5355437233581555 Energy: 0.5559375616209093 Energy: 0.5559375064755602 Energy: 0.5592888678423913 Energy: 0.5852040891047406 Energy: 0.5852043172675266 Energy: 0.5299039951040437 Energy: 0.5559370781253138 Energy: 0.5559375039623615 Energy: 0.5540734224215416 Energy: 0.5504167985198386 Energy: 0.5504166400601946 Energy: 0.5724702990917918 Energy: 0.5804709902715616 Energy: 0.5804702796766377 Energy: 0.5832797791422228 Energy: 0.5484993392138137 Energy: 0.5484995251966894 Energy: 0.5484993407419512 Energy: 0.5610353516746783 Energy: 0.5610348447624556 Energy: 0.5509669180801072 Energy: 0.568312806097434 Energy: 0.5683128061131065 Energy: 0.558804622085152 Energy: 0.599512402309619 Energy: 0.5995119959642529 minimum gb energy = 0.5299039951040437 eV minimum distance = 2.51629811245117 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5799142007533479 Energy: 0.564251097326443 Energy: 0.5642511295181298 Energy: 0.5779277425078007 Energy: 0.5564324042172712 Energy: 0.5564324164288824 Energy: 0.5986829195516054 Energy: 0.560430685695968 Energy: 0.5604306856653429 Energy: 0.5612910616588679 Energy: 0.6041848859177781 Energy: 0.6041851281547221 Energy: 0.5564324031123529 Energy: 0.5779277412778517 Energy: 0.5779277413278419 Energy: 0.5564324292663791 Energy: 0.5376780183565467 Energy: 0.5376780670658944 Energy: 0.5720393702280078 Energy: 0.571498851491005 Energy: 0.5714991454029277 Energy: 0.5460424397815783 Energy: 0.5694556166931601 Energy: 0.5694556113305687 Energy: 0.5689899585199173 Energy: 0.5564324711218659 Energy: 0.5564325650305764 Energy: 0.5856788153363663 Energy: 0.5732538464344139 Energy: 0.5732538491870639 minimum gb energy = 0.5376780183565467 eV minimum distance = 2.51279172596379 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.6011438749731125 Energy: 0.5937538253251677 Energy: 0.5937519992915271 Energy: 0.5690753212431905 Energy: 0.7006086199282509 Energy: 0.7006080001228844 Energy: 0.5668357557927712 Energy: 0.5589126747898453 Energy: 0.5589147492624469 Energy: 0.6050819083497856 Energy: 0.6034425028305852 Energy: 0.6034425214132245 Energy: 0.5559007449898027 Energy: 0.5589127212449275 Energy: 0.5589129747603395 Energy: 0.5941062592281182 Energy: 0.5885271460208352 Energy: 0.5885275031460595 Energy: 0.5500242586465668 Energy: 0.5780043850432601 Energy: 0.5780051153484089 Energy: 0.6069863237668067 Energy: 0.5500242858252613 Energy: 0.5500242585934687 Energy: 0.5831940722585508 Energy: 0.5772735440179814 Energy: 0.5772733550032032 Energy: 0.6246561167166398 Energy: 0.5559026393776149 Energy: 0.5559009542840466 minimum gb energy = 0.5500242585934687 eV minimum distance = 2.52299055390133 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5667583024535804 Energy: 0.5608875495403897 Energy: 0.5608875495394271 Energy: 0.5889577125319281 Energy: 0.5571987140625283 Energy: 0.5571987140644317 Energy: 0.6402686429557831 Energy: 0.6037237290762947 Energy: 0.6037238308896197 Energy: 0.5665070371933928 Energy: 0.5595464958918155 Energy: 0.5595461926397285 Energy: 0.5665091054216858 Energy: 0.599536195579236 Energy: 0.5995361955571191 Energy: 0.5558476213164373 Energy: 0.5571987140673192 Energy: 0.5571987140644317 Energy: 0.5406237475931863 Energy: 0.5608875495288389 Energy: 0.5608875495298015 Energy: 0.5406237484764181 Energy: 0.5558475829208144 Energy: 0.5558475829573696 Energy: 0.579752169646754 Energy: 0.603729777876273 Energy: 0.6037238396854043 Energy: 0.579752295637385 Energy: 0.6037237286471919 Energy: 0.6037237596575235 minimum gb energy = 0.5406237475931863 eV minimum distance = 2.52978364847493 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.6039307896163109 Energy: 0.5938181837104979 Energy: 0.5938182177017749 Energy: 0.5942632833886754 Energy: 0.5905114513433034 Energy: 0.590511447909675 Energy: 0.5702144930764451 Energy: 0.5718096710535826 Energy: 0.5718103237455667 Energy: 0.5761357553892902 Energy: 0.5938181739451528 Energy: 0.5938181836474546 Energy: 0.5702144930284537 Energy: 0.6022251839812892 Energy: 0.602224312102661 Energy: 0.5702144931004097 Energy: 0.5856772519792359 Energy: 0.58567727114809 Energy: 0.5636945884355468 Energy: 0.5938182365567527 Energy: 0.5938181422746336 Energy: 0.5961790623114254 Energy: 0.5691010266942227 Energy: 0.5691010267785193 Energy: 0.5702144932087019 Energy: 0.5807207597292178 Energy: 0.5807208176167816 Energy: 0.5585763117509642 Energy: 0.5938182074433648 Energy: 0.5938184086874596 minimum gb energy = 0.5585763117509642 eV minimum distance = 2.51174389977324 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6285439079156756 Energy: 0.5990977246973602 Energy: 0.5990978715098972 Energy: 0.5815626127697978 Energy: 0.6053451498512167 Energy: 0.6053451705937736 Energy: 0.6352774867650717 Energy: 0.5706400820447665 Energy: 0.570640082010744 Energy: 0.5701221866837584 Energy: 0.5857103669056815 Energy: 0.5857103669211198 Energy: 0.6194548043488708 Energy: 0.564932354320066 Energy: 0.5649323542657655 Energy: 0.6485026238626658 Energy: 0.5919068136924832 Energy: 0.591906819406414 Energy: 0.5878506556715556 Energy: 0.57325652149713 Energy: 0.5732565215146495 Energy: 0.5684600783256654 Energy: 0.5732565353833186 Energy: 0.5732565214524121 Energy: 0.6398400455054047 Energy: 0.5800136979627571 Energy: 0.5800132242244375 Energy: 0.6194685256572134 Energy: 0.5671410140455388 Energy: 0.5671410145585372 minimum gb energy = 0.5649323542657655 eV minimum distance = 2.51702976514451 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.6166664217055259 Energy: 0.5846068816208786 Energy: 0.5846068827857768 Energy: 0.5620270823296608 Energy: 0.5846068799915193 Energy: 0.5846068917682888 Energy: 0.6192763110114334 Energy: 0.5848038326202276 Energy: 0.584803781683118 Energy: 0.5620280775642655 Energy: 0.5670507947625226 Energy: 0.5670539037220176 Energy: 0.6054788998486325 Energy: 0.6282177681083513 Energy: 0.6282195084644521 Energy: 0.6042302399611309 Energy: 0.6036418677171445 Energy: 0.6036418850765433 Energy: 0.639228012733263 Energy: 0.5994238836453524 Energy: 0.5994238835129836 Energy: 0.6389613096317299 Energy: 0.610009422961167 Energy: 0.6100044089015262 Energy: 0.62753086044353 Energy: 0.5807471302376449 Energy: 0.5807471087709364 Energy: 0.5564803382786804 Energy: 0.588359050260377 Energy: 0.5883592384667277 minimum gb energy = 0.5564803382786804 eV minimum distance = 2.51114052078896 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.563369537597764 Energy: 0.6144530368844692 Energy: 0.6144530368737557 Energy: 0.6250935797776837 Energy: 0.5405984177596815 Energy: 0.5405984177727758 Energy: 0.7116080767883002 Energy: 0.6144530452848609 Energy: 0.6144530488651362 Energy: 0.5405595140478763 Energy: 0.5488751059893314 Energy: 0.5488746427016497 Energy: 0.6227261626549324 Energy: 0.6130765406154692 Energy: 0.6130769915988343 Energy: 0.5405595140395436 Energy: 0.5943204601106585 Energy: 0.5943187439268272 Energy: 0.6298005297981409 Energy: 0.5767880191343594 Energy: 0.5767880471388395 Energy: 0.540559514044305 Energy: 0.594320307065246 Energy: 0.5943191408299822 Energy: 0.5405595147855909 Energy: 0.6144530381064545 Energy: 0.6144530389310133 Energy: 0.5488746150612653 Energy: 0.5405595140490667 Energy: 0.5405595147011006 minimum gb energy = 0.5405595140395436 eV minimum distance = 2.61424265141491 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.6236319240260538 Energy: 0.5962614533122127 Energy: 0.5962614533314983 Energy: 0.5590294425167056 Energy: 0.5804364322326202 Energy: 0.5804390908222197 Energy: 0.5879211304942132 Energy: 0.6146515173117437 Energy: 0.6146515131061854 Energy: 0.6010310123657361 Energy: 0.5992516372558226 Energy: 0.5992515666806022 Energy: 0.5882998267065612 Energy: 0.5896799157368431 Energy: 0.5896801367274479 Energy: 0.6210512339327231 Energy: 0.6225139991048805 Energy: 0.6225131323183601 Energy: 0.5959281881722163 Energy: 0.5962614917917366 Energy: 0.5962614523452012 Energy: 0.5590294571293417 Energy: 0.5655462207033697 Energy: 0.5655462626834202 Energy: 0.631987681275165 Energy: 0.6185528276433687 Energy: 0.6185530643273802 Energy: 0.5779473049951193 Energy: 0.5992515556645474 Energy: 0.5992515091806293 minimum gb energy = 0.5590294425167056 eV minimum distance = 2.51787008572648 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.6144716116696304 Energy: 0.6105162584298931 Energy: 0.6105200495411601 Energy: 0.5774239305399393 Energy: 0.58559441090678 Energy: 0.5855937952579618 Energy: 0.673111394911859 Energy: 0.5941010649848495 Energy: 0.5941010379699277 Energy: 0.5774330125798314 Energy: 0.6105161695614159 Energy: 0.6105163943435034 Energy: 0.6139153959195865 Energy: 0.6105163158838531 Energy: 0.6105197190237545 Energy: 0.6746386391787321 Energy: 0.6104991354676319 Energy: 0.6105011896895018 Energy: 0.592153145801011 Energy: 0.6173878046347372 Energy: 0.6173877637825672 Energy: 0.5774238209145038 Energy: 0.6105163593732054 Energy: 0.6105192290466822 Energy: 0.5688891162334881 Energy: 0.6327552112857757 Energy: 0.6327520604725744 Energy: 0.6570233562015566 Energy: 0.6383227540259353 Energy: 0.6383231278265968 minimum gb energy = 0.5688891162334881 eV minimum distance = 2.50739491159158 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5998078169124019 Energy: 0.5981228865552505 Energy: 0.5981228869595732 Energy: 0.5553390981091243 Energy: 0.583346639482394 Energy: 0.5833468045771878 Energy: 0.5553391722910034 Energy: 0.6122480704845784 Energy: 0.6122474368017647 Energy: 0.601489036971333 Energy: 0.5768759802161346 Energy: 0.5768759803077922 Energy: 0.7275576487925927 Energy: 0.5994409179911286 Energy: 0.5994362329694036 Energy: 0.6994225687445045 Energy: 0.6252982436131186 Energy: 0.62529826162454 Energy: 0.5553389815167223 Energy: 0.6122476655719922 Energy: 0.612247512196612 Energy: 0.5924285106994904 Energy: 0.602211846885725 Energy: 0.602211846896512 Energy: 0.5994359316110225 Energy: 0.5981229013576783 Energy: 0.5981229013771989 Energy: 0.5553399256391207 Energy: 0.6507408763233798 Energy: 0.6507405891932724 minimum gb energy = 0.5553389815167223 eV minimum distance = 2.61755915551017 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5922488766443482 Energy: 0.5822174574784694 Energy: 0.5822180952973488 Energy: 0.7049407415779704 Energy: 0.6099318348835102 Energy: 0.6099320334992805 Energy: 0.5981535973740774 Energy: 0.597373544300578 Energy: 0.5973738339342691 Energy: 0.549157794163269 Energy: 0.6773837308776451 Energy: 0.6773837155433786 Energy: 0.7340177616512513 Energy: 0.6447806251921502 Energy: 0.6447806252006121 Energy: 0.5735687043729323 Energy: 0.6770653564980534 Energy: 0.6770677996235772 Energy: 0.5981535323210091 Energy: 0.5973734873255934 Energy: 0.5973735109451553 Energy: 0.6542458412364606 Energy: 0.6099318343534618 Energy: 0.6099320230848807 Energy: 0.5918970288399835 Energy: 0.5822188897501305 Energy: 0.582217446152442 Energy: 0.6739425613372659 Energy: 0.6156101844226214 Energy: 0.6156082188445806 minimum gb energy = 0.549157794163269 eV minimum distance = 2.522866747215 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.6266524815194484 Energy: 0.6246064701456184 Energy: 0.6246047080325724 Energy: 0.5791878345165123 Energy: 0.6355186649608837 Energy: 0.6355191500742314 Energy: 0.5816794857460362 Energy: 0.614647157442046 Energy: 0.6146471596472972 Energy: 0.5805968411196588 Energy: 0.6211115436311412 Energy: 0.621111114269572 Energy: 0.7099516102854552 Energy: 0.62665247457437 Energy: 0.6266530079988399 Energy: 0.5805968916003084 Energy: 0.6211110391440656 Energy: 0.6211105358281445 Energy: 0.5816794850629149 Energy: 0.614647159043858 Energy: 0.6146471574972232 Energy: 0.5791884978588331 Energy: 0.635519002757813 Energy: 0.6355188362339531 Energy: 0.626652486477491 Energy: 0.6246019990131727 Energy: 0.6246029109164117 Energy: 0.5791880111140508 Energy: 0.6355187042284224 Energy: 0.6355200882288304 minimum gb energy = 0.5791878345165123 eV minimum distance = 2.51631106069199 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5143247480760915 Energy: 0.5143252527848776 Energy: 0.514325164812084 Energy: 0.6189022671531211 Energy: 0.5302926726737661 Energy: 0.5302926723495238 Energy: 0.5234812255817242 Energy: 0.5585860185733384 Energy: 0.5585901639840868 Energy: 0.6370396147862714 Energy: 0.5302926902804168 Energy: 0.5302926714900631 Energy: 0.5141301618894115 Energy: 0.5143247463525139 Energy: 0.5143248130294488 Energy: 0.6189021321516551 Energy: 0.5302926752490792 Energy: 0.5302926714636778 Energy: 0.5234812259602537 Energy: 0.5583493520022259 Energy: 0.55834893543227 Energy: 0.6370396412327213 Energy: 0.5560369275761184 Energy: 0.556036929639459 Energy: 0.5141301190960299 Energy: 0.5143250160854911 Energy: 0.5143247534035484 Energy: 0.6189021112808527 Energy: 0.5560369275637019 Energy: 0.5560369275621497 minimum gb energy = 0.5141301190960299 eV minimum distance = 2.59677489937128 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.6087984834609679 Energy: 0.6076555134522621 Energy: 0.6076499264080557 Energy: 0.7249055771367762 Energy: 0.599949676704713 Energy: 0.5999556411526278 Energy: 0.5993568738256448 Energy: 0.6137029933534537 Energy: 0.6137020339588087 Energy: 0.5988199887385298 Energy: 0.6031679224199317 Energy: 0.6031627877656172 Energy: 0.6007599860044859 Energy: 0.6530030657596081 Energy: 0.6530034863701378 Energy: 0.5995388524436432 Energy: 0.6107338132946851 Energy: 0.6107361783185722 Energy: 0.7522027103753581 Energy: 0.6292264971108908 Energy: 0.6292265417383934 Energy: 0.6033781757105146 Energy: 0.6539863573742105 Energy: 0.6539863103736233 Energy: 0.7257971709674237 Energy: 0.6086387533752738 Energy: 0.6086394174303785 Energy: 0.5996944139668653 Energy: 0.6086532575822018 Energy: 0.6086548028800446 minimum gb energy = 0.5988199887385298 eV minimum distance = 2.4936762889563 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.619094321261348 Energy: 0.622241871898104 Energy: 0.6222418247209721 Energy: 0.5646870588519216 Energy: 0.6170420601725607 Energy: 0.6170425832970037 Energy: 0.5577561481843604 Energy: 0.6077376651375929 Energy: 0.6077376859219149 Energy: 0.5685478216169197 Energy: 0.6508421242720035 Energy: 0.6508403865472143 Energy: 0.6151617373883089 Energy: 0.6188405498131063 Energy: 0.6188393716285332 Energy: 0.6784706318564093 Energy: 0.6136785647797367 Energy: 0.6136785892118154 Energy: 0.755554885586225 Energy: 0.557756883810699 Energy: 0.5577614977887152 Energy: 0.6811039812195143 Energy: 0.5555273823816512 Energy: 0.5555262504500149 Energy: 0.7093750602170565 Energy: 0.6195656813763516 Energy: 0.6195656935649442 Energy: 0.6783561403166262 Energy: 0.6168226695312023 Energy: 0.6168454239308169 minimum gb energy = 0.5555262504500149 eV minimum distance = 2.56002084497239 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5775080171716807 Energy: 0.6568350892483461 Energy: 0.6568352054408786 Energy: 0.7373560821274799 Energy: 0.5828294724501553 Energy: 0.5828309606209379 Energy: 0.6521028341292899 Energy: 0.6648450179442259 Energy: 0.6648450183237794 Energy: 0.582172305108751 Energy: 0.664905818864368 Energy: 0.6649058705411499 Energy: 0.653905046380971 Energy: 0.6511331067132716 Energy: 0.6511312646236721 Energy: 0.5829082358324309 Energy: 0.607491356112403 Energy: 0.6074913650944744 Energy: 0.7581511581828085 Energy: 0.6759676186301442 Energy: 0.6759693245544842 Energy: 0.5821736811487672 Energy: 0.6184046783105288 Energy: 0.6184072610696684 Energy: 0.6903555181193923 Energy: 0.6018926018253853 Energy: 0.6018926144530614 Energy: 0.581837519127687 Energy: 0.6018925612678308 Energy: 0.6018923982687919 minimum gb energy = 0.5775080171716807 eV minimum distance = 2.55285164377469 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.6248743970796874 Energy: 0.6297584258176511 Energy: 0.6297597086356563 Energy: 0.6133147357223749 Energy: 0.6218419495154659 Energy: 0.6218420214564636 Energy: 0.6072524764886779 Energy: 0.6302813244511352 Energy: 0.6302831162485658 Energy: 0.5719688690196032 Energy: 0.6297620484191663 Energy: 0.629762882942025 Energy: 0.6371369366837559 Energy: 0.6151869801664166 Energy: 0.6151868875009505 Energy: 0.5920999612145038 Energy: 0.6183147037682959 Energy: 0.6183150806923396 Energy: 0.574516832635591 Energy: 0.6429174378313709 Energy: 0.6429182247600077 Energy: 0.6069443107983961 Energy: 0.6178916279633948 Energy: 0.617892054970489 Energy: 0.5996089357222981 Energy: 0.6017953675894118 Energy: 0.6017952886243888 Energy: 0.5744668086871042 Energy: 0.6381373985302521 Energy: 0.638136992209569 minimum gb energy = 0.5719688690196032 eV minimum distance = 2.49339166688608 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5676263636364232 Energy: 0.6120800067280963 Energy: 0.6120800237857356 Energy: 0.5878838246396555 Energy: 0.6290065160092108 Energy: 0.6290065257032046 Energy: 0.5878767216832674 Energy: 0.612052621909184 Energy: 0.6120511305596474 Energy: 0.5842211681127281 Energy: 0.580597860129442 Energy: 0.5805978601367333 Energy: 0.7292833382418078 Energy: 0.5674925642407432 Energy: 0.5674916886207817 Energy: 0.6547559553724324 Energy: 0.6206133254085557 Energy: 0.6206144651086299 Energy: 0.6285969661535252 Energy: 0.5746591644242599 Energy: 0.5746593200128441 Energy: 0.6457990905100289 Energy: 0.6233738036571037 Energy: 0.6233735839128507 Energy: 0.5674935080429987 Energy: 0.634974356194253 Energy: 0.6349745768513234 Energy: 0.58542587173842 Energy: 0.6120798612908053 Energy: 0.6120800017330575 minimum gb energy = 0.5674916886207817 eV minimum distance = 2.55251994984769 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5901347032474931 Energy: 0.5942829598584475 Energy: 0.5942829598233358 Energy: 0.5783019084297116 Energy: 0.6533595003378515 Energy: 0.6533637510023467 Energy: 0.6790380725281555 Energy: 0.6245999583029842 Energy: 0.6245999572840585 Energy: 0.6068218608264022 Energy: 0.6250046222893354 Energy: 0.625004676843789 Energy: 0.5893701567564286 Energy: 0.6763910465795332 Energy: 0.6763908989641418 Energy: 0.5874946535790337 Energy: 0.6376781359092301 Energy: 0.6376799502714374 Energy: 0.6097686909899751 Energy: 0.5836443195297454 Energy: 0.5836441726057421 Energy: 0.7461672786806063 Energy: 0.5820156641854544 Energy: 0.5820156086335608 Energy: 0.6088470623090253 Energy: 0.6310217885102573 Energy: 0.6310235575984833 Energy: 0.587494756664242 Energy: 0.6383740202920744 Energy: 0.6383712252860066 minimum gb energy = 0.5783019084297116 eV minimum distance = 2.49071220521718 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5878791373292978 Energy: 0.5975528111680924 Energy: 0.5975512345943921 Energy: 0.6172761938501167 Energy: 0.5849691974859413 Energy: 0.5849676780127845 Energy: 0.641089558977716 Energy: 0.5981464249282209 Energy: 0.5981464166454012 Energy: 0.5873697821435239 Energy: 0.5923413633992992 Energy: 0.5923392449455757 Energy: 0.5878913920345913 Energy: 0.5981464153628604 Energy: 0.5981464080971797 Energy: 0.6631399075885124 Energy: 0.5869301100814376 Energy: 0.5869300690885837 Energy: 0.5816644249722787 Energy: 0.6358733453112482 Energy: 0.6358734512423168 Energy: 0.5813170899993728 Energy: 0.6264819062175412 Energy: 0.6264820824786399 Energy: 0.7173600919453754 Energy: 0.6069838469064304 Energy: 0.6069838469631139 Energy: 0.5865488018944534 Energy: 0.6188759911444934 Energy: 0.6188677931070997 minimum gb energy = 0.5813170899993728 eV minimum distance = 2.54429193024477 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.6196664078837228 Energy: 0.6039623653729612 Energy: 0.6039646702386388 Energy: 0.5892652880716626 Energy: 0.6226412227183314 Energy: 0.6226405823946778 Energy: 0.6341774688318135 Energy: 0.5896764923330314 Energy: 0.5896784647532809 Energy: 0.5942003777205467 Energy: 0.6271282526267014 Energy: 0.6271287932079058 Energy: 0.5868561560663791 Energy: 0.6364124046690731 Energy: 0.6364126369053333 Energy: 0.6210290232213571 Energy: 0.6128182631580943 Energy: 0.6128167859946406 Energy: 0.5947441366748193 Energy: 0.6032635031356097 Energy: 0.6032651750234028 Energy: 0.5980975668061241 Energy: 0.6372362613858557 Energy: 0.6372335803129114 Energy: 0.6149489136114494 Energy: 0.6302496583023531 Energy: 0.6302496615615468 Energy: 0.6308230005910258 Energy: 0.6435505248522657 Energy: 0.6435503898653916 minimum gb energy = 0.5868561560663791 eV minimum distance = 2.50113615854184 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5927108104071177 Energy: 0.6019396630607918 Energy: 0.6019371548788254 Energy: 0.5937328851694118 Energy: 0.6268934934449099 Energy: 0.6268939904582588 Energy: 0.5981591825766399 Energy: 0.6129679887810858 Energy: 0.6129682459129855 Energy: 0.5802299545357389 Energy: 0.6208668171495684 Energy: 0.6208697500890806 Energy: 0.689899194476346 Energy: 0.5831035561067107 Energy: 0.5830978280846537 Energy: 0.6253660183465283 Energy: 0.5970225502890284 Energy: 0.5970225541445687 Energy: 0.5776092342244332 Energy: 0.58805225390072 Energy: 0.5880614548106124 Energy: 0.5938193530321629 Energy: 0.5830831552722522 Energy: 0.5830830997024716 Energy: 0.5861007290204786 Energy: 0.6553772489115142 Energy: 0.6550236817362981 Energy: 0.5777327144111175 Energy: 0.6007638031867263 Energy: 0.6007634039907374 minimum gb energy = 0.5776092342244332 eV minimum distance = 2.53893884234562 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.590969796695486 Energy: 0.602341126356133 Energy: 0.6023411277873362 Energy: 0.6397533789131463 Energy: 0.5853846692208676 Energy: 0.5853846684434071 Energy: 0.5824666909356195 Energy: 0.6250082069791625 Energy: 0.6250090232234539 Energy: 0.6686135353458493 Energy: 0.5829868718489005 Energy: 0.5829862870438615 Energy: 0.5955608518584551 Energy: 0.6241461111904526 Energy: 0.6241461591369106 Energy: 0.6059142897752422 Energy: 0.5800580182852318 Energy: 0.5800580176616242 Energy: 0.5864301200804933 Energy: 0.6376385013858354 Energy: 0.6376383221812593 Energy: 0.5838384036062318 Energy: 0.5841930710341676 Energy: 0.5841930601833444 Energy: 0.59467344232933 Energy: 0.5850321126613649 Energy: 0.5850321126942732 Energy: 0.6168516371452742 Energy: 0.6094635503632545 Energy: 0.609463733755298 minimum gb energy = 0.5800580176616242 eV minimum distance = 2.54382701341606 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5901941583419329 Energy: 0.6023494888505376 Energy: 0.6023492249038875 Energy: 0.5864375273424165 Energy: 0.6240557071296972 Energy: 0.6240556860902163 Energy: 0.5859825740337515 Energy: 0.6242476157237405 Energy: 0.6242451166041495 Energy: 0.5892649877631948 Energy: 0.6075383336964811 Energy: 0.6075378839130876 Energy: 0.5932568213324652 Energy: 0.6057888867252044 Energy: 0.6057888840681657 Energy: 0.6150616216451953 Energy: 0.6113619975131509 Energy: 0.6113667511031499 Energy: 0.6537156601956693 Energy: 0.5830049542228404 Energy: 0.5830050745408248 Energy: 0.6575566119323761 Energy: 0.585186565899416 Energy: 0.5851866897730752 Energy: 0.6029344556558958 Energy: 0.5851865423688872 Energy: 0.5851866279120979 Energy: 0.6141187263109635 Energy: 0.5830051579934356 Energy: 0.5830048626157636 minimum gb energy = 0.5830048626157636 eV minimum distance = 2.54662865628263 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5586674148012162 Energy: 0.5835176239164998 Energy: 0.5835176240354268 Energy: 0.5788308846553356 Energy: 0.5586674148016649 Energy: 0.5586674161143279 Energy: 0.5839940509129984 Energy: 0.5592073174466241 Energy: 0.5592073125763994 Energy: 0.5586674148835022 Energy: 0.5363452167434454 Energy: 0.5363449295263816 Energy: 0.558667414802987 Energy: 0.5586674149361565 Energy: 0.5586674147959532 Energy: 0.5586674149047784 Energy: 0.559207311645286 Energy: 0.5592073116415446 Energy: 0.5363449143854496 Energy: 0.5840383985432731 Energy: 0.5840383220476534 Energy: 0.5586674148137373 Energy: 0.5586674148095719 Energy: 0.5586674156575512 Energy: 0.5586674148872436 Energy: 0.5586674148865702 Energy: 0.5586674150809492 Energy: 0.5363449163589461 Energy: 0.5592073134092385 Energy: 0.5592073132541442 minimum gb energy = 0.5363449143854496 eV minimum distance = 2.5949136826676 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.569160091041012 Energy: 0.5953304924784617 Energy: 0.5953306925249583 Energy: 0.5598840998803982 Energy: 0.6199519724805115 Energy: 0.6199538856409985 Energy: 0.5563581292612055 Energy: 0.6019119366559263 Energy: 0.6019119366633803 Energy: 0.5570668876060552 Energy: 0.5962003245687213 Energy: 0.5962003039093485 Energy: 0.586214392784308 Energy: 0.5819812566769854 Energy: 0.5819805780092548 Energy: 0.6237006968391937 Energy: 0.5558483887124008 Energy: 0.5558483255179693 Energy: 0.5554188318968262 Energy: 0.5698982706450121 Energy: 0.5698982705982933 Energy: 0.5620944636721936 Energy: 0.5637343865268126 Energy: 0.5637343511658551 Energy: 0.5687988806429106 Energy: 0.5852576371307074 Energy: 0.5852576635288151 Energy: 0.5679815868394623 Energy: 0.6523964554674783 Energy: 0.6523972139979769 minimum gb energy = 0.5554188318968262 eV minimum distance = 2.58308830728295 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5661735608495514 Energy: 0.59493005103613 Energy: 0.5949298796070677 Energy: 0.5566000706491403 Energy: 0.5542689682483881 Energy: 0.5542704257339243 Energy: 0.5986242368644236 Energy: 0.5519431911372044 Energy: 0.5519431901340586 Energy: 0.5624959965012054 Energy: 0.6206602895048668 Energy: 0.620660334268948 Energy: 0.5557147195014257 Energy: 0.6127954744746217 Energy: 0.6127954368473655 Energy: 0.5619795932140754 Energy: 0.5826376875302703 Energy: 0.5826354650126153 Energy: 0.5523343210979116 Energy: 0.5972693986111386 Energy: 0.5972682989046844 Energy: 0.5643508699901215 Energy: 0.6639873838413455 Energy: 0.663987617500254 Energy: 0.5675288426586266 Energy: 0.5603403169152456 Energy: 0.5603446309637525 Energy: 0.5766729370382289 Energy: 0.5557823753472354 Energy: 0.5557824867244817 minimum gb energy = 0.5519431901340586 eV minimum distance = 2.56110425240389 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5624503728674921 Energy: 0.5943231349863888 Energy: 0.594323154992234 Energy: 0.563983649327523 Energy: 0.5832877161137513 Energy: 0.5832877082595784 Energy: 0.5631866040077307 Energy: 0.5815950118271835 Energy: 0.5816012018657507 Energy: 0.554391593769869 Energy: 0.5978256822905668 Energy: 0.5978257382419957 Energy: 0.5596071662842914 Energy: 0.5869472883332549 Energy: 0.5869473481506639 Energy: 0.6194120072539218 Energy: 0.5503809437568454 Energy: 0.5503809437787812 Energy: 0.549922200280616 Energy: 0.5611490486405489 Energy: 0.5611509333451095 Energy: 0.5485955330335838 Energy: 0.6198432729931671 Energy: 0.6198432730483624 Energy: 0.558468923432651 Energy: 0.5543915202957742 Energy: 0.5543915928658424 Energy: 0.5457003534675856 Energy: 0.5855733929365909 Energy: 0.585573290671032 minimum gb energy = 0.5457003534675856 eV minimum distance = 2.5530221507898 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5576775555013773 Energy: 0.5931141880028608 Energy: 0.5931149523165851 Energy: 0.5560944317639189 Energy: 0.6200986565575117 Energy: 0.6201004405095745 Energy: 0.5410104107885774 Energy: 0.5685842870866882 Energy: 0.5685846563710273 Energy: 0.5569052189252219 Energy: 0.5619246451000383 Energy: 0.5619250825959187 Energy: 0.6104676267819011 Energy: 0.5768118095534992 Energy: 0.5768130602185843 Energy: 0.6365807108868612 Energy: 0.53836177046435 Energy: 0.5383615596723594 Energy: 0.5842603676335533 Energy: 0.5410101359234784 Energy: 0.5410107176694826 Energy: 0.5375930570782389 Energy: 0.5768118217467567 Energy: 0.5768069732464386 Energy: 0.5569053105183404 Energy: 0.547277283011129 Energy: 0.5472641539266209 Energy: 0.5434242652387627 Energy: 0.6060446340386252 Energy: 0.606044647058616 minimum gb energy = 0.5375930570782389 eV minimum distance = 2.57061649144203 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5505430217712755 Energy: 0.5664834089596232 Energy: 0.5664833976755397 Energy: 0.5888938848391798 Energy: 0.5400623842265954 Energy: 0.540062420746518 Energy: 0.5435253827026082 Energy: 0.605908822457838 Energy: 0.6059088647780143 Energy: 0.6613472806321491 Energy: 0.5407991334969446 Energy: 0.5408004076523717 Energy: 0.5544816034245968 Energy: 0.6001436040099065 Energy: 0.600136861840881 Energy: 0.6375019903687923 Energy: 0.5584879379232193 Energy: 0.558487939238806 Energy: 0.5471092526630679 Energy: 0.6295643628602726 Energy: 0.6295646985859895 Energy: 0.5586590769555018 Energy: 0.5812195519035973 Energy: 0.581219055805687 Energy: 0.5408007448269412 Energy: 0.6080730503665004 Energy: 0.6080730503713707 Energy: 0.6049362581745599 Energy: 0.5374361096673158 Energy: 0.5374361936011868 minimum gb energy = 0.5374361096673158 eV minimum distance = 2.56862456377914 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5657923596486245 Energy: 0.5609034466332499 Energy: 0.5609034484953228 Energy: 0.5462054220786434 Energy: 0.5508569424954691 Energy: 0.5508569428838975 Energy: 0.5374996187798661 Energy: 0.54639011189601 Energy: 0.5463902982418193 Energy: 0.5440125162326861 Energy: 0.6014508747036691 Energy: 0.6014514880744293 Energy: 0.597142576982482 Energy: 0.567952590059395 Energy: 0.5679525901032032 Energy: 0.543990064373807 Energy: 0.6347303124314148 Energy: 0.6347303118406467 Energy: 0.5942454121848527 Energy: 0.5819323706615055 Energy: 0.5819295806672721 Energy: 0.531792759054902 Energy: 0.6206560258178049 Energy: 0.6206560258866646 Energy: 0.5322698317467738 Energy: 0.5991579484649737 Energy: 0.5991579484476945 Energy: 0.5544875815624503 Energy: 0.5571801835987129 Energy: 0.5571801823715697 minimum gb energy = 0.531792759054902 eV minimum distance = 2.54347168748504 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5424226433108111 Energy: 0.5424242519916634 Energy: 0.5424249249614302 Energy: 0.5138505456140589 Energy: 0.5643608209365688 Energy: 0.5643599586128245 Energy: 0.5138498768190818 Energy: 0.5424215171697113 Energy: 0.5424233255329892 Energy: 0.5106720727487428 Energy: 0.6207173569808845 Energy: 0.6207201517898739 Energy: 0.542425643302205 Energy: 0.5410781474652946 Energy: 0.5410777411549846 Energy: 0.5746387025893505 Energy: 0.514000603023992 Energy: 0.5139961810781867 Energy: 0.5444503130182232 Energy: 0.513998415854315 Energy: 0.5139942274059084 Energy: 0.542424311542876 Energy: 0.5139958821636356 Energy: 0.5139935571007144 Energy: 0.5138504513400676 Energy: 0.59028282064211 Energy: 0.5902828205748099 Energy: 0.5138497440008956 Energy: 0.6760189364923795 Energy: 0.676019300131607 minimum gb energy = 0.5106720727487428 eV minimum distance = 2.51692174043352 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5513750826813719 Energy: 0.54703050511548 Energy: 0.5470305069789476 Energy: 0.5272564372020343 Energy: 0.612233690581531 Energy: 0.6122335652442118 Energy: 0.5263915381000697 Energy: 0.6122527300579494 Energy: 0.612252730066631 Energy: 0.5822768758930204 Energy: 0.572524965942385 Energy: 0.5725249659584326 Energy: 0.5739607092086368 Energy: 0.522968419204926 Energy: 0.522966817312836 Energy: 0.5545244218477979 Energy: 0.5456608957689573 Energy: 0.5456571466195221 Energy: 0.5456568516387014 Energy: 0.5312928098498905 Energy: 0.5312927581259088 Energy: 0.5173337198015553 Energy: 0.6212858842968415 Energy: 0.6212858839680527 Energy: 0.5265284632265531 Energy: 0.577383905843025 Energy: 0.5773838925375164 Energy: 0.5188622380515091 Energy: 0.5758692889424962 Energy: 0.5758692887139986 minimum gb energy = 0.5173337198015553 eV minimum distance = 2.56297879031689 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.5441618677045558 Energy: 0.5311491704522069 Energy: 0.531149048239531 Energy: 0.5208047186113314 Energy: 0.5871113834303932 Energy: 0.5871113833898132 Energy: 0.5309670071668093 Energy: 0.5294232938446038 Energy: 0.5294246766998357 Energy: 0.5279792929714376 Energy: 0.5208213919268546 Energy: 0.5208213923818896 Energy: 0.5215092769645044 Energy: 0.5823111855218362 Energy: 0.582310422524726 Energy: 0.5249574481171668 Energy: 0.5470043392502029 Energy: 0.547004360675252 Energy: 0.5215092668406497 Energy: 0.5389162558216358 Energy: 0.5389167746528601 Energy: 0.6078795784902172 Energy: 0.5389354182573363 Energy: 0.5389361109600765 Energy: 0.5176443668131196 Energy: 0.5309670078646621 Energy: 0.5309670077076392 Energy: 0.5208048134998202 Energy: 0.5183642833421862 Energy: 0.5183644552879975 minimum gb energy = 0.5176443668131196 eV minimum distance = 2.56979396980771 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5622257924556606 Energy: 0.536050949678911 Energy: 0.5360509496480435 Energy: 0.5621081662084143 Energy: 0.5538025073513249 Energy: 0.553802548299239 Energy: 0.5191611435324732 Energy: 0.5973312348755896 Energy: 0.5973312398257191 Energy: 0.5745301623868762 Energy: 0.5135498393854455 Energy: 0.5135498393519773 Energy: 0.5102073779603505 Energy: 0.5527153833471143 Energy: 0.552715383475786 Energy: 0.6301975336239043 Energy: 0.5536299890315775 Energy: 0.553629989018026 Energy: 0.5171760966648865 Energy: 0.6070035672886311 Energy: 0.6070035771983353 Energy: 0.5585395533428511 Energy: 0.5703309981225163 Energy: 0.5703309970716177 Energy: 0.516054334715495 Energy: 0.6070035713632115 Energy: 0.6070035682368318 Energy: 0.6437617033067224 Energy: 0.5704145677978646 Energy: 0.5704139572359243 minimum gb energy = 0.5102073779603505 eV minimum distance = 2.48907111132606 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.5343877373225018 Energy: 0.5254526885949337 Energy: 0.5254521983580631 Energy: 0.51400710724415 Energy: 0.6198643015562535 Energy: 0.6198643463464384 Energy: 0.5154098132528884 Energy: 0.5171412801606833 Energy: 0.5171408771233876 Energy: 0.5464380138710873 Energy: 0.5262031370131284 Energy: 0.5262031385966254 Energy: 0.5101348912444473 Energy: 0.5133479514826851 Energy: 0.5133479621229404 Energy: 0.5150061051875734 Energy: 0.5407957404280976 Energy: 0.5407947305256431 Energy: 0.5129884940094986 Energy: 0.553964918766663 Energy: 0.5539649820364136 Energy: 0.5097726471442903 Energy: 0.5857193182284341 Energy: 0.585720266711116 Energy: 0.5382096413081103 Energy: 0.528346040767886 Energy: 0.5283467588942361 Energy: 0.5949182286036475 Energy: 0.5788158033062432 Energy: 0.5788152627337043 minimum gb energy = 0.5097726471442903 eV minimum distance = 2.51530212241661 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.5786110094913929 Energy: 0.5448876530911023 Energy: 0.5448879638821905 Energy: 0.5001501588455046 Energy: 0.5523896014848444 Energy: 0.5523896284625432 Energy: 0.525945576153947 Energy: 0.5144348949599595 Energy: 0.5144357313186518 Energy: 0.48584301372707045 Energy: 0.5682373274477793 Energy: 0.5682372135610281 Energy: 0.49807398125643304 Energy: 0.5938079510991882 Energy: 0.5938156724139501 Energy: 0.6816139217141198 Energy: 0.5001501974499596 Energy: 0.500150129595494 Energy: 0.5001501403269751 Energy: 0.5130474797951672 Energy: 0.5130474551401154 Energy: 0.5789975262920789 Energy: 0.5596253303578443 Energy: 0.5596253493471526 Energy: 0.5787086269196772 Energy: 0.495680168696098 Energy: 0.4956801700948529 Energy: 0.5001509947646959 Energy: 0.514435666565133 Energy: 0.5144348792525528 minimum gb energy = 0.48584301372707045 eV minimum distance = 2.58560012131725 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5718333313349605 Energy: 0.5001392223277575 Energy: 0.5001363803408023 Energy: 0.4869328238385727 Energy: 0.5281070403215014 Energy: 0.528107040573163 Energy: 0.49318430473727215 Energy: 0.5619124223676357 Energy: 0.561908945088483 Energy: 0.4889232668403035 Energy: 0.6017529836766339 Energy: 0.601752983722547 Energy: 0.48465798751895905 Energy: 0.49115198892806616 Energy: 0.49115207977434044 Energy: 0.48293609726258063 Energy: 0.632517621196899 Energy: 0.6325175555097357 Energy: 0.4824896854395447 Energy: 0.5277233744111135 Energy: 0.5277231496673206 Energy: 0.5370000314053772 Energy: 0.5300934422539594 Energy: 0.5300921989040798 Energy: 0.5150530454442627 Energy: 0.5670510838957383 Energy: 0.567051067567728 Energy: 0.589682159928597 Energy: 0.5261421278287111 Energy: 0.5261424305283283 minimum gb energy = 0.4824896854395447 eV minimum distance = 2.49143982076503 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.5028180002277456 Energy: 0.49440648761123995 Energy: 0.4944064512546447 Energy: 0.49311402647057834 Energy: 0.49027204132195784 Energy: 0.49027727525928433 Energy: 0.4822211309122275 Energy: 0.4829696169477635 Energy: 0.48297401728398404 Energy: 0.4733557059516907 Energy: 0.5327461411342298 Energy: 0.5327463305927019 Energy: 0.6098125305770976 Energy: 0.4770490171242493 Energy: 0.47704944915970104 Energy: 0.4822211730236993 Energy: 0.5593597266538084 Energy: 0.5593589045878969 Energy: 0.47899189012657556 Energy: 0.5789572414479068 Energy: 0.5789567940286382 Energy: 0.6288377556154752 Energy: 0.48206389403456523 Energy: 0.4820621256055145 Energy: 0.482651142790682 Energy: 0.519683589570164 Energy: 0.5196868356231695 Energy: 0.47541575794443236 Energy: 0.5731764490964582 Energy: 0.5731767764249055 minimum gb energy = 0.4733557059516907 eV minimum distance = 2.51567911202102 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.4906126975439141 Energy: 0.4733551203146807 Energy: 0.4733551204093407 Energy: 0.4713888225320019 Energy: 0.539426400589861 Energy: 0.5394264891220849 Energy: 0.47138874259470037 Energy: 0.4796100500039922 Energy: 0.47961004943997415 Energy: 0.47335512040363514 Energy: 0.480951232227669 Energy: 0.4809513244440611 Energy: 0.5483057975079968 Energy: 0.5538333004317983 Energy: 0.5538359100156276 Energy: 0.4703389592249487 Energy: 0.47961005098202475 Energy: 0.47961005196125023 Energy: 0.4764614140161603 Energy: 0.5123495119701832 Energy: 0.5123495295279833 Energy: 0.6201173206543094 Energy: 0.5538362577989826 Energy: 0.553833427729661 Energy: 0.4753716161252868 Energy: 0.4731869326530489 Energy: 0.47318773552459537 Energy: 0.47646138292623047 Energy: 0.6269102363076859 Energy: 0.626910232235749 minimum gb energy = 0.4703389592249487 eV minimum distance = 2.54898723344426 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5612304709706778 Energy: 0.46777558341790476 Energy: 0.4677755833987797 Energy: 0.4612100537102531 Energy: 0.47043125025602534 Energy: 0.4704312502300442 Energy: 0.46059388497489717 Energy: 0.635534709215466 Energy: 0.6355347090463258 Energy: 0.4621200171333044 Energy: 0.46857166492322316 Energy: 0.4685716644035011 Energy: 0.46068819207477807 Energy: 0.5100896511777145 Energy: 0.510091306041524 Energy: 0.5545893379904764 Energy: 0.5595890333614648 Energy: 0.5595890745933382 Energy: 0.4647096088557249 Energy: 0.6203968896007606 Energy: 0.6203968899654156 Energy: 0.6419959079972328 Energy: 0.4645466189676598 Energy: 0.464546623026137 Energy: 0.4669306736598586 Energy: 0.5253547204605549 Energy: 0.5253528785911192 Energy: 0.4605938840140199 Energy: 0.505066751484441 Energy: 0.5050677949791194 minimum gb energy = 0.4605938840140199 eV minimum distance = 2.58228454772133 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5418919762895412 Energy: 0.47713041755276414 Energy: 0.47712938932331045 Energy: 0.4659016003581046 Energy: 0.5365651104329274 Energy: 0.5365637642688615 Energy: 0.5325562827478681 Energy: 0.566170958244085 Energy: 0.5661703488098832 Energy: 0.4680622179388694 Energy: 0.5330081858043939 Energy: 0.5330085380677725 Energy: 0.49654095291337924 Energy: 0.4957738474596802 Energy: 0.49577383195951247 Energy: 0.4643109802310643 Energy: 0.6586713382820131 Energy: 0.6586713106443628 Energy: 0.46478355151037987 Energy: 0.6030447102410482 Energy: 0.6030439759903686 Energy: 0.5325563374930492 Energy: 0.5011053040762815 Energy: 0.5011051915449524 Energy: 0.46677366623700606 Energy: 0.5847495644770386 Energy: 0.5847513739852516 Energy: 0.5325582464799449 Energy: 0.5661684503173875 Energy: 0.5661699531396451 minimum gb energy = 0.4643109802310643 eV minimum distance = 2.48962337107466 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.5151624418558108 Energy: 0.46562279086232583 Energy: 0.46562345443351094 Energy: 0.44865338373857844 Energy: 0.480262245668316 Energy: 0.4802653913278159 Energy: 0.4425735050047077 Energy: 0.6017373186146507 Energy: 0.6017373189345019 Energy: 0.4478837165445053 Energy: 0.6750407738538071 Energy: 0.6750408345811021 Energy: 0.44328301496711486 Energy: 0.49695783204714683 Energy: 0.4969563858590093 Energy: 0.4515279483953788 Energy: 0.4494079747766511 Energy: 0.4494079501136689 Energy: 0.495447003028242 Energy: 0.4985173178609831 Energy: 0.49851731950249284 Energy: 0.5151623991233932 Energy: 0.5602232799172993 Energy: 0.5602230635471294 Energy: 0.49544699716272084 Energy: 0.5602231320551925 Energy: 0.5602231931739742 Energy: 0.442573507858002 Energy: 0.5052499663998647 Energy: 0.5052506832600046 minimum gb energy = 0.4425735050047077 eV minimum distance = 2.50241969897213 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.5205269925358439 Energy: 0.4516433085122439 Energy: 0.45164329450689933 Energy: 0.4360726442092147 Energy: 0.5524740514929121 Energy: 0.5524731941705743 Energy: 0.4790286865429366 Energy: 0.47787671316463176 Energy: 0.47787670057626963 Energy: 0.4325091764495718 Energy: 0.5458018290766723 Energy: 0.5458018417315227 Energy: 0.44055715425928177 Energy: 0.481157056398755 Energy: 0.4811570523720287 Energy: 0.448847678607118 Energy: 0.5624587206998499 Energy: 0.5624627769007773 Energy: 0.4334020421599396 Energy: 0.5131594383805083 Energy: 0.5131594379554625 Energy: 0.6497610325286781 Energy: 0.47295462861299037 Energy: 0.47295462146915307 Energy: 0.43572384424570393 Energy: 0.6252776993648693 Energy: 0.6252776941497342 Energy: 0.4361889636603819 Energy: 0.5446915127198398 Energy: 0.5446915148134024 minimum gb energy = 0.4325091764495718 eV minimum distance = 2.58506110350814 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.5343904086896231 Energy: 0.44346731404172907 Energy: 0.4434660668625924 Energy: 0.42182793451689493 Energy: 0.5407395140983342 Energy: 0.5407418584475272 Energy: 0.4328387314458137 Energy: 0.5244659644468678 Energy: 0.5244659651206867 Energy: 0.4309118780887213 Energy: 0.5813694142025029 Energy: 0.5813697135420702 Energy: 0.4309120849820767 Energy: 0.4942529180841613 Energy: 0.4942551331438401 Energy: 0.42440289543376125 Energy: 0.5923903675431731 Energy: 0.5923902539174598 Energy: 0.5156490146108695 Energy: 0.4228086667086948 Energy: 0.4228086667134299 Energy: 0.5343889714241759 Energy: 0.5813719647914644 Energy: 0.581369609644908 Energy: 0.42182793703229404 Energy: 0.48602144066715863 Energy: 0.4860229380581659 Energy: 0.424402867444691 Energy: 0.642441758345153 Energy: 0.6424418301703563 minimum gb energy = 0.42182793451689493 eV minimum distance = 2.49139119589315 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5603759397474806 Energy: 0.43869922633896413 Energy: 0.43869945250127246 Energy: 0.42819404769221137 Energy: 0.493068914148127 Energy: 0.4930689184719677 Energy: 0.4282870410343585 Energy: 0.46868115016764306 Energy: 0.46868072623032236 Energy: 0.4616787522024499 Energy: 0.4236700670562152 Energy: 0.42367044993820047 Energy: 0.42685697617794033 Energy: 0.5277383080400447 Energy: 0.5277383079140905 Energy: 0.5845678446039423 Energy: 0.4570788880543761 Energy: 0.4570777124190495 Energy: 0.4255308121174192 Energy: 0.4614926402663132 Energy: 0.4614925584205824 Energy: 0.625022061066559 Energy: 0.45707816335055224 Energy: 0.4570783498026734 Energy: 0.4255299856563347 Energy: 0.5520014927572148 Energy: 0.5520002007894331 Energy: 0.4863656786676917 Energy: 0.45639549791411615 Energy: 0.45639647602102595 minimum gb energy = 0.4236700670562152 eV minimum distance = 2.49750041452782 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.42918449850334844 Energy: 0.40839073779688956 Energy: 0.4083907454923462 Energy: 0.4059465847219197 Energy: 0.5848217314658353 Energy: 0.5848218210407831 Energy: 0.5205794503409448 Energy: 0.4083907716334504 Energy: 0.408390561459614 Energy: 0.4083907591310075 Energy: 0.6016896834600881 Energy: 0.6016878048164507 Energy: 0.40839046523121614 Energy: 0.4501125825637734 Energy: 0.45011258243736824 Energy: 0.40151790765652734 Energy: 0.5903974401074596 Energy: 0.5903976685790411 Energy: 0.40594594567063774 Energy: 0.4083907074671324 Energy: 0.4083907241137705 Energy: 0.42918511065195925 Energy: 0.5476753932238221 Energy: 0.5476752653708151 Energy: 0.40594655727220125 Energy: 0.5304130363091869 Energy: 0.5304117460459061 Energy: 0.39904277194383053 Energy: 0.49275061588492 Energy: 0.4927507537403482 minimum gb energy = 0.39904277194383053 eV minimum distance = 2.50227163147368 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.48958726041800915 Energy: 0.41016543834814534 Energy: 0.4101652102393421 Energy: 0.38763165685453893 Energy: 0.48937275095251076 Energy: 0.4893732245853889 Energy: 0.3917140548764187 Energy: 0.4788403988744064 Energy: 0.47883968442881525 Energy: 0.561859419819577 Energy: 0.43908514053268216 Energy: 0.439085217050489 Energy: 0.47098937077368896 Energy: 0.5161395956964202 Energy: 0.5161379021364698 Energy: 0.3972399253500508 Energy: 0.41053509287840695 Energy: 0.4105350928525384 Energy: 0.39622728455575107 Energy: 0.45194444924489124 Energy: 0.4519444794677036 Energy: 0.5556448925484818 Energy: 0.4817049340464501 Energy: 0.4817051173576176 Energy: 0.4334071946143298 Energy: 0.3914875791695079 Energy: 0.39148707082375034 Energy: 0.38894699483017187 Energy: 0.5499329820662391 Energy: 0.5499329820790163 minimum gb energy = 0.38763165685453893 eV minimum distance = 2.49568743767859 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5201087061957792 Energy: 0.386599710190144 Energy: 0.38659974004802466 Energy: 0.4469998851752694 Energy: 0.37949290656074613 Energy: 0.3794929065745713 Energy: 0.37542576099022956 Energy: 0.4184539577942952 Energy: 0.4184538511504134 Energy: 0.3716399028746469 Energy: 0.3865325994342352 Energy: 0.3865316871177413 Energy: 0.37542576278355794 Energy: 0.41845257535860336 Energy: 0.41845332180164857 Energy: 0.3754257667910536 Energy: 0.45313825304069694 Energy: 0.45313826601803375 Energy: 0.37405615821406524 Energy: 0.45313853770305557 Energy: 0.4531383547153778 Energy: 0.520108435197302 Energy: 0.4531385245561321 Energy: 0.45313853328411874 Energy: 0.5139604270011603 Energy: 0.4531388473809769 Energy: 0.45313839049031085 Energy: 0.37542576127413085 Energy: 0.404989141545066 Energy: 0.40498773877342686 minimum gb energy = 0.3716399028746469 eV minimum distance = 2.59764756554823 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.5061718261410849 Energy: 0.38134618274186977 Energy: 0.3813462235891703 Energy: 0.42360784646100813 Energy: 0.43921114568248837 Energy: 0.43921080581875077 Energy: 0.3634420890922281 Energy: 0.38200474364200643 Energy: 0.38200493536043145 Energy: 0.3718304000954429 Energy: 0.48923467758380307 Energy: 0.48923670880898745 Energy: 0.5678588444982995 Energy: 0.39903523035632704 Energy: 0.3990350908414683 Energy: 0.36699820685212753 Energy: 0.4044589407916761 Energy: 0.4044593840615048 Energy: 0.36035247197294884 Energy: 0.5070907977134067 Energy: 0.5070907989305556 Energy: 0.5689043980820141 Energy: 0.4395856300227687 Energy: 0.43958655838367616 Energy: 0.3662100545888533 Energy: 0.4083343306448648 Energy: 0.40833454113086926 Energy: 0.36132171799799323 Energy: 0.49946590359477944 Energy: 0.4994654177428187 minimum gb energy = 0.36035247197294884 eV minimum distance = 2.50208131782956 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4786094179629732 Energy: 0.3596517214100817 Energy: 0.35965161312677174 Energy: 0.3563114133897771 Energy: 0.3692713842642936 Energy: 0.36927147803560545 Energy: 0.3498130821912312 Energy: 0.4767691975161913 Energy: 0.47676919151391667 Energy: 0.34912216625104325 Energy: 0.4694700903642361 Energy: 0.4694695904290735 Energy: 0.34981301382335683 Energy: 0.46946948597171506 Energy: 0.4694698394933663 Energy: 0.3498131843402906 Energy: 0.3692714780675469 Energy: 0.3692715186784341 Energy: 0.35631173475325406 Energy: 0.36230862725061164 Energy: 0.36230857859460314 Energy: 0.478608811911822 Energy: 0.3692715131630241 Energy: 0.3692714143636989 Energy: 0.4310634145590397 Energy: 0.47353006984025064 Energy: 0.473530072964314 Energy: 0.38323682633197187 Energy: 0.34897198488963804 Energy: 0.3489717009123696 minimum gb energy = 0.3489717009123696 eV minimum distance = 2.58415794183186 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5442885412492423 Energy: 0.3601279195306983 Energy: 0.3601278013060559 Energy: 0.34246193162075744 Energy: 0.44018073066199065 Energy: 0.4401807324538589 Energy: 0.3421250080586281 Energy: 0.3538839148257838 Energy: 0.35388414735024004 Energy: 0.41466861159850515 Energy: 0.36223189632707437 Energy: 0.3622319566504589 Energy: 0.4146686091170798 Energy: 0.38168106251248 Energy: 0.38168110479098627 Energy: 0.34060776821650923 Energy: 0.40817858606998336 Energy: 0.4081787791063062 Energy: 0.3529372025171836 Energy: 0.3817173825906543 Energy: 0.38171701086792564 Energy: 0.5836679987760649 Energy: 0.4303466889411068 Energy: 0.43034677313481823 Energy: 0.4118277449159753 Energy: 0.45827782784059207 Energy: 0.4582778758160589 Energy: 0.3393080565384768 Energy: 0.39673319298762616 Energy: 0.39673321161573705 minimum gb energy = 0.3393080565384768 eV minimum distance = 2.50547332966161 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.44982199011645807 Energy: 0.3428734432895736 Energy: 0.34287344178457485 Energy: 0.341795649024806 Energy: 0.3417955222436589 Energy: 0.34179565660323286 Energy: 0.3163512100480907 Energy: 0.4071688419602565 Energy: 0.40716904844354607 Energy: 0.31738980839125114 Energy: 0.4314425305523029 Energy: 0.4314423314725555 Energy: 0.40327769365549065 Energy: 0.43144236631001076 Energy: 0.43144253477742683 Energy: 0.3163512087069374 Energy: 0.3864955604876688 Energy: 0.38649612895001884 Energy: 0.42001788812252566 Energy: 0.3527082358243325 Energy: 0.3527084273353491 Energy: 0.4498222612742323 Energy: 0.34179601947669624 Energy: 0.3417955167198594 Energy: 0.34179551872648944 Energy: 0.32552506471678117 Energy: 0.3255250647158578 Energy: 0.32657348942183617 Energy: 0.3417957658608852 Energy: 0.3417957332257428 minimum gb energy = 0.3163512087069374 eV minimum distance = 2.60440830010121 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4655929869417831 Energy: 0.32161163060061887 Energy: 0.32161183400222254 Energy: 0.48543952433483584 Energy: 0.35527425928234196 Energy: 0.35527405878232915 Energy: 0.3045083554067156 Energy: 0.3309763672449994 Energy: 0.33097578724505 Energy: 0.304508355430319 Energy: 0.33097577564272546 Energy: 0.33097651385398447 Energy: 0.2983473030572716 Energy: 0.4084703646892562 Energy: 0.4084703647165279 Energy: 0.3104175295871945 Energy: 0.3149902629486193 Energy: 0.3149903543058039 Energy: 0.4487642289311199 Energy: 0.40167513698907764 Energy: 0.40167520219640973 Energy: 0.5044118595425204 Energy: 0.3309757725919921 Energy: 0.33097598694569597 Energy: 0.3957422193040102 Energy: 0.330975749897429 Energy: 0.33097613243142476 Energy: 0.3609896138485291 Energy: 0.400938311493323 Energy: 0.4009382849161262 minimum gb energy = 0.2983473030572716 eV minimum distance = 2.50977015312991 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4776648905648047 Energy: 0.3779229436695064 Energy: 0.3779229026996261 Energy: 0.4211295605700595 Energy: 0.3056834297478994 Energy: 0.30568313110890794 Energy: 0.28613652309420495 Energy: 0.34108204599841735 Energy: 0.3410820703156754 Energy: 0.29467020675871763 Energy: 0.3056832948750379 Energy: 0.3056834296574585 Energy: 0.28666054582912526 Energy: 0.3206176462738555 Energy: 0.3206176419023739 Energy: 0.3390482393167486 Energy: 0.3811137390326353 Energy: 0.3811136255569178 Energy: 0.305683402825562 Energy: 0.3056834420841271 Energy: 0.30568300669065657 Energy: 0.4758369955441175 Energy: 0.31286823181065837 Energy: 0.3128684264881151 Energy: 0.48865298045235556 Energy: 0.3307333407387121 Energy: 0.33073334087876793 Energy: 0.2946701992614657 Energy: 0.32061762027188073 Energy: 0.32061762970510765 minimum gb energy = 0.28613652309420495 eV minimum distance = 2.60685306204585 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4758674663604328 Energy: 0.30027342402410534 Energy: 0.30027342403896223 Energy: 0.3738389064819077 Energy: 0.3466098981474983 Energy: 0.3466096269773679 Energy: 0.2797404625420273 Energy: 0.3335211858125163 Energy: 0.33352118557690663 Energy: 0.2777421430211237 Energy: 0.2912890469709945 Energy: 0.2912887888268974 Energy: 0.2777422089898799 Energy: 0.29708819421347116 Energy: 0.29708819407354603 Energy: 0.27974065226078476 Energy: 0.30371429575657427 Energy: 0.30371405510879107 Energy: 0.3742031900904794 Energy: 0.2970881939623443 Energy: 0.2970881940250435 Energy: 0.49559831763571294 Energy: 0.2970881942068681 Energy: 0.2970881942900368 Energy: 0.3742031695666863 Energy: 0.29708819421446164 Energy: 0.2970881940537368 Energy: 0.2897024354290009 Energy: 0.2970881936881066 Energy: 0.29708819373528855 minimum gb energy = 0.2777421430211237 eV minimum distance = 2.60240448489825 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.4296759068179687 Energy: 0.28346844088179357 Energy: 0.2834682373255067 Energy: 0.3374945739404262 Energy: 0.2836335573310496 Energy: 0.28363359470543753 Energy: 0.36051526860612754 Energy: 0.27000434543941637 Energy: 0.2700043484503738 Energy: 0.2593325649749648 Energy: 0.28904780919138345 Energy: 0.28904781857024237 Energy: 0.27030873232320685 Energy: 0.36498395900368447 Energy: 0.36498139772493554 Energy: 0.2637776361710396 Energy: 0.27854814242198545 Energy: 0.27854811704532506 Energy: 0.46000893987640473 Energy: 0.26656007990987846 Energy: 0.2665599768370195 Energy: 0.4776939096292387 Energy: 0.28904779344462306 Energy: 0.28904780521965073 Energy: 0.33749466394355576 Energy: 0.27410474972275267 Energy: 0.2741056453451932 Energy: 0.2634765538471533 Energy: 0.2890477804394149 Energy: 0.28904777437106877 minimum gb energy = 0.2593325649749648 eV minimum distance = 2.60276219924341 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.45874841230870367 Energy: 0.42009296184118405 Energy: 0.4200939217963692 Energy: 0.47446759319887594 Energy: 0.3155547576777111 Energy: 0.31555476127289184 Energy: 0.2571092512990382 Energy: 0.26752400625308526 Energy: 0.26752404967444154 Energy: 0.24664926660790784 Energy: 0.27176890317439 Energy: 0.27176890407812837 Energy: 0.2571092771113428 Energy: 0.2675241422152403 Energy: 0.2675241535495224 Energy: 0.25179962722011456 Energy: 0.27176890501480416 Energy: 0.2717689070141557 Energy: 0.31848973526727353 Energy: 0.27651420355479234 Energy: 0.2765143129908627 Energy: 0.455441994566217 Energy: 0.27176891298825095 Energy: 0.2717689071630554 Energy: 0.38676153070297525 Energy: 0.27651419043139386 Energy: 0.2765142030207308 Energy: 0.2541918425939975 Energy: 0.2717689058084314 Energy: 0.27176891267905207 minimum gb energy = 0.24664926660790784 eV minimum distance = 2.59967082952524 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4384945366643505 Energy: 0.26250565640704115 Energy: 0.2625055242875606 Energy: 0.3082481265705948 Energy: 0.26148360160470435 Energy: 0.26148399466593836 Energy: 0.2809765427274209 Energy: 0.2576984358922574 Energy: 0.25769564986148036 Energy: 0.2378683609880889 Energy: 0.2576985070273577 Energy: 0.25769584126278805 Energy: 0.24201427850803564 Energy: 0.26548010803386035 Energy: 0.2654796191833884 Energy: 0.2460281655598341 Energy: 0.37694519635105844 Energy: 0.37694487223710904 Energy: 0.30824802456710776 Energy: 0.25769584087500763 Energy: 0.257695862686512 Energy: 0.478303129099948 Energy: 0.257695980346295 Energy: 0.2576959008399112 Energy: 0.45128970491962317 Energy: 0.30021795595301465 Energy: 0.30021783832919785 Energy: 0.29500688488667504 Energy: 0.2576984489113475 Energy: 0.2576956391739772 minimum gb energy = 0.2378683609880889 eV minimum distance = 2.59731963014947 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.42064924592517383 Energy: 0.2539459777400473 Energy: 0.25394598650545147 Energy: 0.29920441201875564 Energy: 0.2523273050105289 Energy: 0.2523272198648837 Energy: 0.23643924869547156 Energy: 0.2558940063407536 Energy: 0.2558926572609823 Energy: 0.23336721326660997 Energy: 0.25962516912321437 Energy: 0.2596251701680642 Energy: 0.231221317260526 Energy: 0.25232744902243814 Energy: 0.25232725404892037 Energy: 0.33834145394857135 Energy: 0.28897399571456023 Energy: 0.28897455849938125 Energy: 0.39656209672484705 Energy: 0.26978162899474356 Energy: 0.26978123728785114 Energy: 0.4580495311158751 Energy: 0.2558943061258735 Energy: 0.2558937150436465 Energy: 0.35290850431687487 Energy: 0.25962516135486247 Energy: 0.2596251889851894 Energy: 0.24086868355122895 Energy: 0.2876013040689031 Energy: 0.2876013430922852 minimum gb energy = 0.231221317260526 eV minimum distance = 2.59701592262956 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.013639118614962076 Energy: 0.013639118615652241 Energy: 0.013639118620858055 Energy: 0.013639118615652241 Energy: 0.20567726287722363 Energy: 0.2056772628775786 Energy: 0.013639118614607135 Energy: 0.2056772628824295 Energy: 0.20567726289179597 Energy: 0.013639118612516923 Energy: 0.2056772628959567 Energy: 0.20567726289248614 Energy: 0.013639118594493769 Energy: 0.2056772629386286 Energy: 0.20567726288416474 Energy: 0.013639118611491533 Energy: 0.2056772628775786 Energy: 0.20567726293827363 Energy: 0.013639118612516923 Energy: 0.2056772628779138 Energy: 0.2056772628869451 Energy: 0.01363911860246024 Energy: 0.0136391186121817 Energy: 0.013639118616342405 Energy: 0.013639118614252195 Energy: 0.20567726288416474 Energy: 0.20567726287653348 Energy: 0.013639118615652241 Energy: 0.20567726289317628 Energy: 0.2056772628938862 minimum gb energy = 0.013639118594493769 eV minimum distance = 2.84337109086561 Angstroms sigma value = 1