model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005 a1=[1, 0, 0] a2=[0, 1, 0] a3=[0, 0, 1] species=Al theta_min=0.0 theta_max=90.0 max_denominator=15 short_name=fcc cutoff_distance=0.5 x_repeat=1 z_repeat=1 min_cell_height=10.0 offset_top=[0.0, 0.0, 0.0] offset_bottom=[0.0, 0.0, 0.0] a=4.050000071525574 cohesive_energy=3.360264240729233 mass=26.981538 Isolated atom energy: -4.3766955338e-11 eV ======================================== theta = 0.0 ======================================== Energy: 0.010326214976704391 Energy: 0.0103262149830619 Energy: 0.010326214982090227 Energy: 0.010326214985033005 Energy: 0.0103262149830619 Energy: 0.010326214982090227 Energy: 0.010326214982589944 Energy: 0.010326214982090227 Energy: 0.010326214978175778 Energy: 0.010326214982090227 Energy: 0.010326214981118555 Energy: 0.0103262149830619 Energy: 0.01032621497720411 Energy: 0.0103262149830619 Energy: 0.010326214977703826 Energy: 0.01032621497476105 Energy: 0.010326214977703826 Energy: 0.010326214982589944 Energy: 0.010326214984533288 Energy: 0.010326214982589944 Energy: 0.010326214977703826 Energy: 0.01032621497914745 Energy: 0.01032621497914745 Energy: 0.0103262149830619 Energy: 0.010326214982589944 Energy: 0.010326214978175778 Energy: 0.010326214981590512 Energy: 0.010326214981590512 Energy: 0.010326214984033572 Energy: 0.010326214983561616 minimum gb energy = 0.01032621497476105 eV minimum distance = 2.86368193677318 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43129379749026747 Energy: 0.39821306841675813 Energy: 0.39821306851127986 Energy: 0.3898114165375187 Energy: 0.39822149723365957 Energy: 0.3982214972625568 Energy: 0.3903569362760683 Energy: 0.4501243592461667 Energy: 0.45012428295561613 Energy: 0.40248475226232683 Energy: 0.38458990489909395 Energy: 0.38458980756344885 Energy: 0.40564047447826784 Energy: 0.3985718984834924 Energy: 0.3985718985309158 Energy: 0.36968753118474396 Energy: 0.40673933313988997 Energy: 0.4067393381303039 Energy: 0.39027122807635317 Energy: 0.3985719707205432 Energy: 0.3985718985208402 Energy: 0.4035973787875568 Energy: 0.4384970815741465 Energy: 0.43849708434632945 Energy: 0.39821678948228884 Energy: 0.43851213730164434 Energy: 0.43851224749584294 Energy: 0.3963680080218628 Energy: 0.41327319621789566 Energy: 0.41327286042295636 minimum gb energy = 0.36968753118474396 eV minimum distance = 2.5854056339415 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4444482991066502 Energy: 0.4150091534655514 Energy: 0.4150091560384234 Energy: 0.38227594781524576 Energy: 0.4171064309016477 Energy: 0.41710639754482404 Energy: 0.3968276813097787 Energy: 0.4154480638790852 Energy: 0.4154480479856877 Energy: 0.39673510975449944 Energy: 0.41753481660704 Energy: 0.41753480265913595 Energy: 0.3831986883446427 Energy: 0.41501684968899066 Energy: 0.4150169724663587 Energy: 0.4141694942781093 Energy: 0.41753478826721857 Energy: 0.41753479193964843 Energy: 0.386857888837097 Energy: 0.41544804431984045 Energy: 0.4154480489464084 Energy: 0.3931131269162909 Energy: 0.4175347939867618 Energy: 0.4175347906852397 Energy: 0.39734946811951943 Energy: 0.4154479776270805 Energy: 0.41544797758777446 Energy: 0.3844701207832825 Energy: 0.42685816747687283 Energy: 0.42685823071329143 minimum gb energy = 0.38227594781524576 eV minimum distance = 2.62546668297164 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.4584527876322953 Energy: 0.4246378717036944 Energy: 0.4246380820782478 Energy: 0.40984033651834045 Energy: 0.4246513213215364 Energy: 0.42465132483248486 Energy: 0.43230464204078306 Energy: 0.41158079538155645 Energy: 0.4115808550858049 Energy: 0.4113619570189266 Energy: 0.5140612396463901 Energy: 0.5140610355606579 Energy: 0.4203884533632668 Energy: 0.4292789564709999 Energy: 0.4292772875172085 Energy: 0.3961288999327183 Energy: 0.43454678601506935 Energy: 0.4345468867420239 Energy: 0.4109273347955473 Energy: 0.4154311532937041 Energy: 0.4154309867766912 Energy: 0.4203954382848487 Energy: 0.5284954035373469 Energy: 0.5284949724861033 Energy: 0.46623619977729436 Energy: 0.4154309741772453 Energy: 0.41543097858159367 Energy: 0.4068452109479591 Energy: 0.4345471623065613 Energy: 0.43454691739592205 minimum gb energy = 0.3961288999327183 eV minimum distance = 2.62620840634884 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.47309865437534654 Energy: 0.4441384962574639 Energy: 0.444138496399004 Energy: 0.42708397304713525 Energy: 0.4918420014073602 Energy: 0.4918420346377599 Energy: 0.45968866905571854 Energy: 0.44081976513607013 Energy: 0.440819557610658 Energy: 0.42723712995854707 Energy: 0.4441227995035429 Energy: 0.4441227155184341 Energy: 0.43828617686571525 Energy: 0.5004785715958904 Energy: 0.500476516173619 Energy: 0.4385461355143167 Energy: 0.4479571666315538 Energy: 0.447957137757189 Energy: 0.43828615437494506 Energy: 0.5397335421257722 Energy: 0.5397335158776072 Energy: 0.4169719224666126 Energy: 0.4448279588378446 Energy: 0.44482824998658466 Energy: 0.43630386142751165 Energy: 0.43696013099806985 Energy: 0.4369601298243059 Energy: 0.43235161864643534 Energy: 0.46026009538735685 Energy: 0.46026009535329054 minimum gb energy = 0.4169719224666126 eV minimum distance = 2.58825087809603 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4886572622802558 Energy: 0.46710838753835937 Energy: 0.46710833927350315 Energy: 0.4587760792769146 Energy: 0.5085950497229822 Energy: 0.508594977731169 Energy: 0.443904984753346 Energy: 0.4568291113163434 Energy: 0.45682926870574647 Energy: 0.43933472686217195 Energy: 0.482502226023693 Energy: 0.4824926926217178 Energy: 0.5031958475765133 Energy: 0.46931591630467745 Energy: 0.46931614636549257 Energy: 0.4233264990336832 Energy: 0.4671167589063156 Energy: 0.46711669232227615 Energy: 0.45630520299659666 Energy: 0.4532665321449801 Energy: 0.4532666054416398 Energy: 0.4563047023843747 Energy: 0.4963778361117308 Energy: 0.49637783607016833 Energy: 0.4335172756504576 Energy: 0.45595229550747907 Energy: 0.4559522366013079 Energy: 0.45630469568192894 Energy: 0.450249108725376 Energy: 0.45024869878142354 minimum gb energy = 0.4233264990336832 eV minimum distance = 2.57623977005286 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4838516404403944 Energy: 0.4784595323354603 Energy: 0.4784593874120398 Energy: 0.4521136711687188 Energy: 0.479614176067919 Energy: 0.47961444654785107 Energy: 0.46432684721803114 Energy: 0.5422807193074667 Energy: 0.5422801504149611 Energy: 0.45159349722617326 Energy: 0.5315707750345277 Energy: 0.5315706578420696 Energy: 0.46468819468692135 Energy: 0.4852613712493217 Energy: 0.485261013835934 Energy: 0.46468811993338044 Energy: 0.4977035073701211 Energy: 0.497704069534836 Energy: 0.45933054604898793 Energy: 0.49770346757102285 Energy: 0.49770353793091315 Energy: 0.46457663981015473 Energy: 0.48526138139883074 Energy: 0.48526138967830956 Energy: 0.46432685934932716 Energy: 0.5397119616367575 Energy: 0.5397124010757631 Energy: 0.4795570890195878 Energy: 0.4784593802439626 Energy: 0.4784594092399174 minimum gb energy = 0.45159349722617326 eV minimum distance = 2.59901555335182 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.502314957984544 Energy: 0.5038957300118614 Energy: 0.5038957330883108 Energy: 0.4909862353868421 Energy: 0.5046823051910142 Energy: 0.5046823056219438 Energy: 0.4578906048193472 Energy: 0.5046823051300906 Energy: 0.5046823051085073 Energy: 0.45843126710709764 Energy: 0.504682305100953 Energy: 0.5046823053042773 Energy: 0.4746507373230581 Energy: 0.5038903474499716 Energy: 0.5038902890273559 Energy: 0.46341361271285836 Energy: 0.5038902893466902 Energy: 0.5038902902020742 Energy: 0.5073293412916319 Energy: 0.5046823051236156 Energy: 0.504682305162956 Energy: 0.46312760203086273 Energy: 0.5046823051074281 Energy: 0.5046823074713354 Energy: 0.48485818205968706 Energy: 0.504682305232562 Energy: 0.5046823051122843 Energy: 0.48536147494244086 Energy: 0.5038957303953568 Energy: 0.5038957321136792 minimum gb energy = 0.4578906048193472 eV minimum distance = 2.60129826302349 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5356489892809322 Energy: 0.5271919386604857 Energy: 0.5271919709254922 Energy: 0.500830325731024 Energy: 0.48523661827299047 Energy: 0.4852366104378569 Energy: 0.5003841139600103 Energy: 0.49390967701215255 Energy: 0.49390967700124366 Energy: 0.5587120216251091 Energy: 0.4902851385007232 Energy: 0.49028502203598434 Energy: 0.5087063044869401 Energy: 0.5069981266418172 Energy: 0.5069982336600494 Energy: 0.5195969435376162 Energy: 0.5069981470384092 Energy: 0.5069981628565248 Energy: 0.5587121077130409 Energy: 0.495604941358199 Energy: 0.4956049658195587 Energy: 0.5256816687802891 Energy: 0.49390969529699597 Energy: 0.49390969879174745 Energy: 0.48762609753751 Energy: 0.485236604356435 Energy: 0.4852366189114902 Energy: 0.5116121219458083 Energy: 0.5109044691105489 Energy: 0.5109056452823367 minimum gb energy = 0.485236604356435 eV minimum distance = 2.49792258885573 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5129470526211212 Energy: 0.5442650675030788 Energy: 0.5442650820548095 Energy: 0.5171628452659567 Energy: 0.5032592905289499 Energy: 0.5032583299066334 Energy: 0.5059636685319039 Energy: 0.5255302159500836 Energy: 0.5256883842984401 Energy: 0.5127168391156391 Energy: 0.5425611425958851 Energy: 0.542561340347733 Energy: 0.5145160825755906 Energy: 0.5896418111023689 Energy: 0.5896419565524876 Energy: 0.5181675424976033 Energy: 0.5103367062648766 Energy: 0.510336706319444 Energy: 0.5233899799612588 Energy: 0.5266997230542292 Energy: 0.5267010713492802 Energy: 0.5135035423610098 Energy: 0.576875304386537 Energy: 0.5768753839427185 Energy: 0.4848545356089986 Energy: 0.5495871172059318 Energy: 0.5495888374245568 Energy: 0.5129474252211957 Energy: 0.5392196029878553 Energy: 0.5392195300933551 minimum gb energy = 0.4848545356089986 eV minimum distance = 2.5702743428751 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5577705369071598 Energy: 0.5506197426604813 Energy: 0.5506196958969738 Energy: 0.5556047601198493 Energy: 0.5161263325291627 Energy: 0.5161263342158349 Energy: 0.5626606868696928 Energy: 0.5330401355223098 Energy: 0.5330400573390814 Energy: 0.5010270404155261 Energy: 0.5237650959097199 Energy: 0.5098790879609351 Energy: 0.5084545640413226 Energy: 0.5454829682454699 Energy: 0.545482977906239 Energy: 0.49558892261308357 Energy: 0.5512945842116669 Energy: 0.5512941803734166 Energy: 0.5049643013657827 Energy: 0.5967588172765026 Energy: 0.5949778995122201 Energy: 0.48599814700337834 Energy: 0.5521870104788414 Energy: 0.552186971757086 Energy: 0.5181789712393146 Energy: 0.5037908648815522 Energy: 0.5037908628937288 Energy: 0.5138993151414956 Energy: 0.5237507133233292 Energy: 0.5062493853500408 minimum gb energy = 0.48599814700337834 eV minimum distance = 2.60675921338879 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5879775859373872 Energy: 0.5370627711064115 Energy: 0.5370627699649738 Energy: 0.4995224939503281 Energy: 0.5449034235922638 Energy: 0.5449141082804743 Energy: 0.5209780814165204 Energy: 0.5783879515050625 Energy: 0.5783883090675299 Energy: 0.5047563866763105 Energy: 0.5328662929788665 Energy: 0.5328671069090675 Energy: 0.5353544657397652 Energy: 0.5370627521423487 Energy: 0.5370627695869713 Energy: 0.5395432758445009 Energy: 0.5349620232520662 Energy: 0.534959751050322 Energy: 0.5495684942811591 Energy: 0.5289590276710047 Energy: 0.5289552494025161 Energy: 0.5289550928187658 Energy: 0.5294796479394731 Energy: 0.5294796479027298 Energy: 0.5222550741001255 Energy: 0.5297089470737908 Energy: 0.5297088202179433 Energy: 0.5250862029100981 Energy: 0.5635629137757914 Energy: 0.5634662838895517 minimum gb energy = 0.4995224939503281 eV minimum distance = 2.53381840941592 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5457688073361024 Energy: 0.5836204200187635 Energy: 0.583620416673003 Energy: 0.5453033232698397 Energy: 0.5236820937061439 Energy: 0.52368222106636 Energy: 0.5794813389049139 Energy: 0.5327256158456479 Energy: 0.5316731550037339 Energy: 0.5718149050226884 Energy: 0.5860721975227571 Energy: 0.5860716933369605 Energy: 0.5236831343092178 Energy: 0.5233882778599334 Energy: 0.5233882164183558 Energy: 0.5199767717000392 Energy: 0.5213825539380206 Energy: 0.5213825540311636 Energy: 0.53454729698695 Energy: 0.5639299516598294 Energy: 0.5639300778694661 Energy: 0.518642066843733 Energy: 0.5867860480464585 Energy: 0.5867860463362534 Energy: 0.5595096532518744 Energy: 0.5199767554779017 Energy: 0.5199767568436667 Energy: 0.5437904423475032 Energy: 0.5357325764526363 Energy: 0.5357325841622329 minimum gb energy = 0.518642066843733 eV minimum distance = 2.51705647812597 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.612621855559888 Energy: 0.5545816202047724 Energy: 0.5545796470247039 Energy: 0.542037659604443 Energy: 0.6599339992231514 Energy: 0.6599339633101704 Energy: 0.5712389464514909 Energy: 0.5438666716123669 Energy: 0.5438668050598499 Energy: 0.5774358592499788 Energy: 0.5589784245294921 Energy: 0.5589783647042151 Energy: 0.5540974756999031 Energy: 0.5400842342896972 Energy: 0.5400842093923406 Energy: 0.5648526673966915 Energy: 0.559178940476315 Energy: 0.5591791743907767 Energy: 0.5387028524066659 Energy: 0.5503184779324175 Energy: 0.5503185654018307 Energy: 0.5792961384185373 Energy: 0.5454664189836185 Energy: 0.5454663977622419 Energy: 0.5446166331830584 Energy: 0.5453887179953522 Energy: 0.5453883583334803 Energy: 0.5922023097290521 Energy: 0.5554090270330577 Energy: 0.5554090366071458 minimum gb energy = 0.5387028524066659 eV minimum distance = 2.49830326727666 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5564463528061204 Energy: 0.5430168448889311 Energy: 0.5430168448956388 Energy: 0.5413326258518634 Energy: 0.5392869760600977 Energy: 0.5392869743149558 Energy: 0.6110658865959292 Energy: 0.6447447485393414 Energy: 0.6447447821540773 Energy: 0.5561620756266317 Energy: 0.5313568752417241 Energy: 0.5313567909285175 Energy: 0.556162464809625 Energy: 0.5659095383418834 Energy: 0.5659095820559102 Energy: 0.5249564751367046 Energy: 0.5392869743322043 Energy: 0.5392869743168723 Energy: 0.5014860014148923 Energy: 0.5430168448946806 Energy: 0.543016846360145 Energy: 0.5014860014014768 Energy: 0.5249564701675192 Energy: 0.5249565315121569 Energy: 0.5529158473522321 Energy: 0.5645744195963358 Energy: 0.5645744196040018 Energy: 0.5529170414404919 Energy: 0.5645744196173955 Energy: 0.5645744208022243 minimum gb energy = 0.5014860014014768 eV minimum distance = 2.58112286069414 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5929256246371051 Energy: 0.5794031958338581 Energy: 0.5794036094012973 Energy: 0.5830979996182106 Energy: 0.5565369516452909 Energy: 0.556536874609034 Energy: 0.6010289511490298 Energy: 0.545445289669468 Energy: 0.5454474534100241 Energy: 0.5566065160374558 Energy: 0.5794034117628871 Energy: 0.5794035256042177 Energy: 0.5568227315807235 Energy: 0.5567042918910429 Energy: 0.556704081594068 Energy: 0.6089581691499858 Energy: 0.5558553354654951 Energy: 0.5558522173291214 Energy: 0.53505566538043 Energy: 0.5794033214980662 Energy: 0.5794036662503289 Energy: 0.5781785136228906 Energy: 0.5447004863475137 Energy: 0.5451587162129089 Energy: 0.5665100867567401 Energy: 0.5452832735540819 Energy: 0.5451740715490915 Energy: 0.5198638856334398 Energy: 0.5794031995110119 Energy: 0.5794036176708058 minimum gb energy = 0.5198638856334398 eV minimum distance = 2.49606037163599 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5950269702867588 Energy: 0.5892377378000043 Energy: 0.5892377502959745 Energy: 0.5604313139972025 Energy: 0.5892378686560534 Energy: 0.58923782765904 Energy: 0.5710349842312572 Energy: 0.5494139759499 Energy: 0.549414128709634 Energy: 0.5448061639258103 Energy: 0.5459225680647163 Energy: 0.5459225638352821 Energy: 0.5820583063677702 Energy: 0.5258781916839398 Energy: 0.5258781916490095 Energy: 0.6278183115499337 Energy: 0.5859577043264951 Energy: 0.5859578206645782 Energy: 0.5524201635227557 Energy: 0.5465375651657867 Energy: 0.5465373430060408 Energy: 0.525878191598662 Energy: 0.5465377828179582 Energy: 0.546537257105719 Energy: 0.5808795004490643 Energy: 0.5430528174994456 Energy: 0.5430530310540984 Energy: 0.5762724806616694 Energy: 0.5771129330643203 Energy: 0.5771129353596381 minimum gb energy = 0.525878191598662 eV minimum distance = 2.49218021092021 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.6059478401291526 Energy: 0.5629474364853979 Energy: 0.5629474365128317 Energy: 0.5322378117530528 Energy: 0.562947436477707 Energy: 0.5629474364355905 Energy: 0.5830700644874256 Energy: 0.5622646033402978 Energy: 0.5622649682064165 Energy: 0.5726403870159954 Energy: 0.5831888943215194 Energy: 0.583188627402991 Energy: 0.5835392763539512 Energy: 0.5983911904287598 Energy: 0.5983913619987666 Energy: 0.5698715364043715 Energy: 0.5669496098995561 Energy: 0.5669496142982136 Energy: 0.6073741508812139 Energy: 0.5709238993170531 Energy: 0.570923969511955 Energy: 0.5974242345790367 Energy: 0.5975964399199413 Energy: 0.5975974993894004 Energy: 0.586614528062673 Energy: 0.5588450515115226 Energy: 0.558844827197381 Energy: 0.5158760877675401 Energy: 0.5541719234427087 Energy: 0.5541720767452218 minimum gb energy = 0.5158760877675401 eV minimum distance = 2.50167258870422 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5323434224461738 Energy: 0.6001197138259585 Energy: 0.6001197208573393 Energy: 0.5909436894836151 Energy: 0.5016766170517786 Energy: 0.5016766213160756 Energy: 0.6869334846910871 Energy: 0.6001197144051827 Energy: 0.6001197140936739 Energy: 0.5016766169747767 Energy: 0.5619902815426399 Energy: 0.561989329964275 Energy: 0.5919783225645309 Energy: 0.5987437513811786 Energy: 0.5987436713162827 Energy: 0.5016766169688515 Energy: 0.5756418286123294 Energy: 0.5756405105871715 Energy: 0.5982476745847138 Energy: 0.6001197154037559 Energy: 0.6001197136956561 Energy: 0.5669211637296545 Energy: 0.5756382533264599 Energy: 0.5756393531489957 Energy: 0.5016766170837482 Energy: 0.60011973863243 Energy: 0.6001197234360797 Energy: 0.5146101394073125 Energy: 0.501676617614412 Energy: 0.5016766169712216 minimum gb energy = 0.5016766169688515 eV minimum distance = 2.60942601705409 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.6222054357878208 Energy: 0.5674429047712245 Energy: 0.5674429943764231 Energy: 0.5746690107197344 Energy: 0.5522504500976727 Energy: 0.5522511024038298 Energy: 0.6225645117453945 Energy: 0.5791701538313178 Energy: 0.5791733584142575 Energy: 0.5882747452113618 Energy: 0.5770717599305282 Energy: 0.5770679673796344 Energy: 0.6011980348789908 Energy: 0.552741291682826 Energy: 0.5527411618716869 Energy: 0.6154112675089486 Energy: 0.5915639541311234 Energy: 0.5915614988794542 Energy: 0.5813467284540166 Energy: 0.5723015316587314 Energy: 0.5723015244785361 Energy: 0.5674665261921705 Energy: 0.5816290454947011 Energy: 0.5816271669787366 Energy: 0.6340801057645773 Energy: 0.5856351350592145 Energy: 0.585631594072987 Energy: 0.5556106290382924 Energy: 0.5770680457468899 Energy: 0.5770677466457268 minimum gb energy = 0.5522504500976727 eV minimum distance = 2.49888429046896 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.618817425271932 Energy: 0.5875406593685961 Energy: 0.587542008179701 Energy: 0.5615646610774635 Energy: 0.5647514962612085 Energy: 0.5648452330181305 Energy: 0.6275826803325805 Energy: 0.5976185956401229 Energy: 0.5976181447315267 Energy: 0.5630427265566866 Energy: 0.5939720316885037 Energy: 0.5939698658937841 Energy: 0.580364303814146 Energy: 0.5939697155863607 Energy: 0.5939702966407704 Energy: 0.6418618523627309 Energy: 0.5978346323903677 Energy: 0.597834636006066 Energy: 0.557436033797827 Energy: 0.5728178353430203 Energy: 0.5728177760669882 Energy: 0.5630427868894815 Energy: 0.5939697684581193 Energy: 0.5939697878722756 Energy: 0.5488767290407118 Energy: 0.5728255430358415 Energy: 0.5728255600409349 Energy: 0.6199474210383851 Energy: 0.6064012874180164 Energy: 0.6064015080833487 minimum gb energy = 0.5488767290407118 eV minimum distance = 2.49605544820225 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5786247840121009 Energy: 0.5752153412527249 Energy: 0.5752157876980946 Energy: 0.5154501126107394 Energy: 0.5429655889600008 Energy: 0.5429657542087858 Energy: 0.5526961955010533 Energy: 0.5488350126957341 Energy: 0.5488350129076986 Energy: 0.5668887794860146 Energy: 0.5339846814919171 Energy: 0.5339847330638032 Energy: 0.6946279793161473 Energy: 0.5786256038633778 Energy: 0.5786251362516603 Energy: 0.6588439938568902 Energy: 0.5828207969930556 Energy: 0.5828215211317674 Energy: 0.5154500908741497 Energy: 0.5488350127265769 Energy: 0.5488350127306039 Energy: 0.555591774547835 Energy: 0.5744798887102215 Energy: 0.5744797859730197 Energy: 0.5786247184742261 Energy: 0.5752150847103242 Energy: 0.5752155933982943 Energy: 0.5154500923560713 Energy: 0.6227584433794827 Energy: 0.6227633486452882 minimum gb energy = 0.5154500908741497 eV minimum distance = 2.61536906007176 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5713913134969141 Energy: 0.5575749019075416 Energy: 0.5575739794153238 Energy: 0.6680916059986368 Energy: 0.5730366633399507 Energy: 0.5730366569255113 Energy: 0.5644815944896241 Energy: 0.576444222542002 Energy: 0.5764442230046466 Energy: 0.5439819748438193 Energy: 0.6479776294007954 Energy: 0.6479776301370954 Energy: 0.7016285927419046 Energy: 0.6227945480685961 Energy: 0.6227972022539923 Energy: 0.5439819512743018 Energy: 0.6387361943141687 Energy: 0.6387363375140337 Energy: 0.5644815641744684 Energy: 0.5706683355604718 Energy: 0.5706686353050564 Energy: 0.6351081970938711 Energy: 0.573110472671118 Energy: 0.5730547222157684 Energy: 0.5713960908304315 Energy: 0.5575741727448633 Energy: 0.5575737082199618 Energy: 0.6391279556937131 Energy: 0.5806385848591201 Energy: 0.5806359209014097 minimum gb energy = 0.5439819512743018 eV minimum distance = 2.51115856128101 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.604891971548855 Energy: 0.6004864857839655 Energy: 0.6004902612253507 Energy: 0.5533701151081596 Energy: 0.566406731923811 Energy: 0.5664066911834971 Energy: 0.5476259807892053 Energy: 0.5774934374903744 Energy: 0.5774926428340249 Energy: 0.5447590099219475 Energy: 0.5972797937483065 Energy: 0.5972771656117316 Energy: 0.6801469446227072 Energy: 0.6048889819363131 Energy: 0.6048899417133762 Energy: 0.5447589766619116 Energy: 0.5972799859440144 Energy: 0.5972773749108959 Energy: 0.5476253604264958 Energy: 0.5774927072488834 Energy: 0.5774927084600594 Energy: 0.5533748910906313 Energy: 0.5664070184618584 Energy: 0.566406678232728 Energy: 0.6048933399107438 Energy: 0.6004889481078758 Energy: 0.6004891347651974 Energy: 0.553374892078788 Energy: 0.566407462256515 Energy: 0.5664067114389438 minimum gb energy = 0.5447589766619116 eV minimum distance = 2.50544258211326 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.4812238174841102 Energy: 0.48122380872095905 Energy: 0.4812238086730953 Energy: 0.593816977629187 Energy: 0.487012373306433 Energy: 0.4870123735134097 Energy: 0.4925597199134121 Energy: 0.532634065113276 Energy: 0.5326319341557066 Energy: 0.5913341559623255 Energy: 0.48701237896837435 Energy: 0.4870123736863585 Energy: 0.48122380933409337 Energy: 0.4812238102808347 Energy: 0.4812239249030767 Energy: 0.5931404044208046 Energy: 0.48701238762494686 Energy: 0.48701237330334274 Energy: 0.4925594457288468 Energy: 0.5326306735090668 Energy: 0.5326326214750997 Energy: 0.5913341816479154 Energy: 0.511580202879377 Energy: 0.5115802028608706 Energy: 0.4812238086591891 Energy: 0.4812238233406322 Energy: 0.4812238086360122 Energy: 0.5931406124183561 Energy: 0.5115802030322742 Energy: 0.511580202581308 minimum gb energy = 0.4812238086360122 eV minimum distance = 2.59052277574903 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5773516899266311 Energy: 0.5755169061581065 Energy: 0.575516718981377 Energy: 0.6910394926188259 Energy: 0.5781663036487683 Energy: 0.5781676097821153 Energy: 0.5640614058639958 Energy: 0.5830908908109391 Energy: 0.5830908868761497 Energy: 0.5640614057237109 Energy: 0.570981995151575 Energy: 0.5709819953352451 Energy: 0.5650031198248417 Energy: 0.6222856622369829 Energy: 0.6222810565008219 Energy: 0.5658941555215214 Energy: 0.5801952988399895 Energy: 0.5801854844138177 Energy: 0.7147686284911325 Energy: 0.5934010935624551 Energy: 0.5934010976323003 Energy: 0.5709819954022651 Energy: 0.6219085826041978 Energy: 0.6219101596007072 Energy: 0.6921773351915179 Energy: 0.5766566641334148 Energy: 0.5766566457334161 Energy: 0.5658942047744242 Energy: 0.5739215678865361 Energy: 0.5739221640598602 minimum gb energy = 0.5640614057237109 eV minimum distance = 2.49733025760089 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5884633011440229 Energy: 0.5914213024508843 Energy: 0.5914216501344758 Energy: 0.5278757247129808 Energy: 0.5890223920244015 Energy: 0.5890224157420919 Energy: 0.5190643299585375 Energy: 0.5671449708441382 Energy: 0.5671449841865794 Energy: 0.5324025990704048 Energy: 0.6231822294987143 Energy: 0.6231822297857866 Energy: 0.5800327281415039 Energy: 0.5884633035357801 Energy: 0.588463298571586 Energy: 0.6438172171874043 Energy: 0.5818446203039276 Energy: 0.5818445914826719 Energy: 0.7238329697086074 Energy: 0.5190643295471221 Energy: 0.5190643293489096 Energy: 0.6458833714973723 Energy: 0.5147545689708329 Energy: 0.5147545689524652 Energy: 0.6773123741992586 Energy: 0.5899122188479069 Energy: 0.5899102880791217 Energy: 0.6426536405056765 Energy: 0.5848514532129335 Energy: 0.5848594187443458 minimum gb energy = 0.5147545689524652 eV minimum distance = 2.56823208092109 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5374679891156169 Energy: 0.6243977035318369 Energy: 0.624397692259984 Energy: 0.696179207078188 Energy: 0.5495543157909117 Energy: 0.5495652089831438 Energy: 0.6179914768482158 Energy: 0.6252947067180501 Energy: 0.6252972542704172 Energy: 0.5457378337175744 Energy: 0.6281027275175459 Energy: 0.6281020435813037 Energy: 0.6173526114736245 Energy: 0.6198389453883504 Energy: 0.619839284805029 Energy: 0.5457396507441229 Energy: 0.5629863858216541 Energy: 0.5629874141820345 Energy: 0.7147225710840778 Energy: 0.642128020948751 Energy: 0.6421280995314959 Energy: 0.5457380592886328 Energy: 0.585921135653383 Energy: 0.5859211476934747 Energy: 0.6632142996278458 Energy: 0.5563240218515161 Energy: 0.5563252941263535 Energy: 0.5457380832596657 Energy: 0.5563266579906294 Energy: 0.5563274318706302 minimum gb energy = 0.5374679891156169 eV minimum distance = 2.56323131300385 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5899796012764379 Energy: 0.5948168183498217 Energy: 0.5948166533362897 Energy: 0.5691390743607082 Energy: 0.5825708629031874 Energy: 0.5825708677428012 Energy: 0.5743502932983325 Energy: 0.6121919558209108 Energy: 0.6121919504679446 Energy: 0.5303948043100647 Energy: 0.59481921748925 Energy: 0.5948166292969751 Energy: 0.6060688882210793 Energy: 0.5717346679141737 Energy: 0.5717347246899098 Energy: 0.5395086682104165 Energy: 0.5802664120297335 Energy: 0.5802631874492631 Energy: 0.5367081772843898 Energy: 0.6128333398333474 Energy: 0.6128333804245977 Energy: 0.5710267192318687 Energy: 0.5768570435481825 Energy: 0.5768542331272746 Energy: 0.5609278876892053 Energy: 0.5681102292829185 Energy: 0.56811187106224 Energy: 0.5367076268983768 Energy: 0.6139319312166884 Energy: 0.6139308066627098 minimum gb energy = 0.5303948043100647 eV minimum distance = 2.56224877925572 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5721018108566805 Energy: 0.5823589590007245 Energy: 0.5823589589898365 Energy: 0.555431916101997 Energy: 0.5816990091990427 Energy: 0.5816990092044659 Energy: 0.579902083084531 Energy: 0.5884626399465684 Energy: 0.5884626399338659 Energy: 0.5455769124769579 Energy: 0.6001559962080047 Energy: 0.6001559742921168 Energy: 0.6970567369011736 Energy: 0.5262162892921137 Energy: 0.5262175590794562 Energy: 0.6336498340275852 Energy: 0.5868004095505928 Energy: 0.5868005860830025 Energy: 0.6013540434170788 Energy: 0.5332732602024842 Energy: 0.5332735786353758 Energy: 0.5932944239281259 Energy: 0.5806927669627799 Energy: 0.5806929180703896 Energy: 0.599699198629196 Energy: 0.5966016604306758 Energy: 0.5966014227759416 Energy: 0.550815617951057 Energy: 0.6017296871852896 Energy: 0.6017296100647634 minimum gb energy = 0.5262162892921137 eV minimum distance = 2.4966822642192 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5477293512315035 Energy: 0.5528740151772432 Energy: 0.5528735364580538 Energy: 0.5404013149656599 Energy: 0.6113078943261147 Energy: 0.6113078804030994 Energy: 0.6596895986252872 Energy: 0.5919960113466747 Energy: 0.5919960612696636 Energy: 0.5672025792906499 Energy: 0.5806099751504404 Energy: 0.5806086267698614 Energy: 0.5550946636990055 Energy: 0.6520017441722772 Energy: 0.6520016656962052 Energy: 0.5550937084850756 Energy: 0.6022392954348982 Energy: 0.6022388872557314 Energy: 0.5747835354925531 Energy: 0.5409543304005519 Energy: 0.5409523423464293 Energy: 0.7030302839312227 Energy: 0.5458277167342884 Energy: 0.5458278068998723 Energy: 0.5747835310053185 Energy: 0.5851083314456055 Energy: 0.585107649697582 Energy: 0.5552008995141868 Energy: 0.6030381654967019 Energy: 0.6030383010127893 minimum gb energy = 0.5404013149656599 eV minimum distance = 2.48933438973241 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5450526742454148 Energy: 0.5554975521324151 Energy: 0.5554976869228171 Energy: 0.5856615296028875 Energy: 0.5418091415314357 Energy: 0.5418089395571603 Energy: 0.6073510199077596 Energy: 0.5875956839576537 Energy: 0.5875945799435467 Energy: 0.5522971790080294 Energy: 0.5926977343504176 Energy: 0.5926960388098452 Energy: 0.5450519949745116 Energy: 0.5875912692665638 Energy: 0.5875948714431665 Energy: 0.6204896218638748 Energy: 0.5543837974044911 Energy: 0.5543835943040696 Energy: 0.5461586508536528 Energy: 0.5914472165896041 Energy: 0.5914473664632355 Energy: 0.5461585840692788 Energy: 0.5833429390155621 Energy: 0.5833429457671307 Energy: 0.6902461487924372 Energy: 0.5708369129038576 Energy: 0.5708366142737294 Energy: 0.5522971844205644 Energy: 0.6086746957796425 Energy: 0.6086746746887842 minimum gb energy = 0.5418089395571603 eV minimum distance = 2.49775772160264 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5542674651699028 Energy: 0.563041326838041 Energy: 0.5630413126188885 Energy: 0.5630503834164182 Energy: 0.5989894533734222 Energy: 0.5989879384293743 Energy: 0.6488230447705128 Energy: 0.5507700459366723 Energy: 0.5507700261571157 Energy: 0.555593766223144 Energy: 0.6093807797642242 Energy: 0.6093801007856436 Energy: 0.5650179525161717 Energy: 0.6419837924266035 Energy: 0.6419847968488929 Energy: 0.6011633577221384 Energy: 0.6004671050463055 Energy: 0.6004664000979747 Energy: 0.5525042744725297 Energy: 0.61429095015374 Energy: 0.6142900747783983 Energy: 0.5650179960270292 Energy: 0.6649985203822324 Energy: 0.664998466155167 Energy: 0.5829613266023097 Energy: 0.5960147771231032 Energy: 0.5960143828146401 Energy: 0.6628824548990235 Energy: 0.6098149849221252 Energy: 0.6098142370941695 minimum gb energy = 0.5507700261571157 eV minimum distance = 2.49636664003944 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5591240476732589 Energy: 0.5616649187784758 Energy: 0.5616662322117707 Energy: 0.5784001184559827 Energy: 0.5868702529250307 Energy: 0.5868699858180444 Energy: 0.5897906183345445 Energy: 0.5693946535849777 Energy: 0.5693963142321659 Energy: 0.5630003837961951 Energy: 0.5828599465070636 Energy: 0.5828614720936964 Energy: 0.6878820650326196 Energy: 0.5492908923310529 Energy: 0.5492883251989458 Energy: 0.5968497607263666 Energy: 0.5620553170526965 Energy: 0.5620578668373856 Energy: 0.5673188293485927 Energy: 0.5625635665059858 Energy: 0.5625649913990591 Energy: 0.569319867724149 Energy: 0.5449708954052693 Energy: 0.5449717010110927 Energy: 0.5706167259296259 Energy: 0.6247427442663911 Energy: 0.6246961882140004 Energy: 0.5427404844583175 Energy: 0.5631995878805552 Energy: 0.5632013538259201 minimum gb energy = 0.5427404844583175 eV minimum distance = 2.55058995994371 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5557338233492968 Energy: 0.5620437876415884 Energy: 0.5620441385679525 Energy: 0.6245639563173748 Energy: 0.5557297400364093 Energy: 0.5557295915656084 Energy: 0.5560681060861121 Energy: 0.585238054627931 Energy: 0.5852379655382282 Energy: 0.6862705564645494 Energy: 0.5555276450155027 Energy: 0.5555289983881283 Energy: 0.5835728738415883 Energy: 0.5859637487129127 Energy: 0.5859637214998284 Energy: 0.616223851314843 Energy: 0.5445742653161554 Energy: 0.5445756639335907 Energy: 0.5648341728280263 Energy: 0.5995177792758218 Energy: 0.5995150267366093 Energy: 0.5684486317873569 Energy: 0.5489011216049525 Energy: 0.5489030881311309 Energy: 0.5696435491288151 Energy: 0.5468400925574087 Energy: 0.5468400380579309 Energy: 0.6064571960095934 Energy: 0.5752920528926029 Energy: 0.5752885672747776 minimum gb energy = 0.5445742653161554 eV minimum distance = 2.55640162901864 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5555938282340107 Energy: 0.5622621427800948 Energy: 0.5622587821711935 Energy: 0.5573199883925866 Energy: 0.5829082573111665 Energy: 0.5829083257905421 Energy: 0.5647184822262707 Energy: 0.5850905625392185 Energy: 0.5850887967364062 Energy: 0.5698879965517547 Energy: 0.5901498570380027 Energy: 0.5901498431355273 Energy: 0.5708891472557728 Energy: 0.5866662894829493 Energy: 0.5866663142441512 Energy: 0.5824801868798651 Energy: 0.5688737422939641 Energy: 0.568873627110495 Energy: 0.6134063368877172 Energy: 0.5521522236469392 Energy: 0.552152227222658 Energy: 0.6342768863085726 Energy: 0.5505887852208124 Energy: 0.5505887860032842 Energy: 0.5866418792884731 Energy: 0.5505887787232012 Energy: 0.5505888073557595 Energy: 0.6101558097817235 Energy: 0.5525824910907361 Energy: 0.5523616909637163 minimum gb energy = 0.5505887787232012 eV minimum distance = 2.55729723663822 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.522998274489315 Energy: 0.5550552889158215 Energy: 0.5550552889169139 Energy: 0.5080439240769253 Energy: 0.5229982744932382 Energy: 0.5229982744875769 Energy: 0.5846675105756584 Energy: 0.5232921823015046 Energy: 0.5232921825146798 Energy: 0.5229982752151288 Energy: 0.5080492560596838 Energy: 0.5080492560570765 Energy: 0.5229982744939087 Energy: 0.5229982812067309 Energy: 0.5229982744862607 Energy: 0.5229982744890915 Energy: 0.5232921823019268 Energy: 0.5232921823017281 Energy: 0.5080545061048628 Energy: 0.5414932146928899 Energy: 0.5414932146845963 Energy: 0.5229982745006628 Energy: 0.522998274490184 Energy: 0.5229982744943309 Energy: 0.5229982745006628 Energy: 0.5229982744919471 Energy: 0.5229982744930396 Energy: 0.5432394303544739 Energy: 0.5414932146898357 Energy: 0.5414932146955219 minimum gb energy = 0.5080439240769253 eV minimum distance = 2.60922346056234 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5359878759635778 Energy: 0.5513392444218631 Energy: 0.5513357337874328 Energy: 0.5264143893427218 Energy: 0.5860897925960011 Energy: 0.586089792536244 Energy: 0.5227947305216464 Energy: 0.5519311936555944 Energy: 0.5519306371604693 Energy: 0.5230798131796824 Energy: 0.554743640242289 Energy: 0.5547415360646542 Energy: 0.5768712759385561 Energy: 0.550179738011951 Energy: 0.5501796153862837 Energy: 0.6514700566039673 Energy: 0.5220120959229889 Energy: 0.5220134155773182 Energy: 0.5229992184304756 Energy: 0.532445463680444 Energy: 0.5324454677662854 Energy: 0.5257767861029827 Energy: 0.5271129263476801 Energy: 0.5271110249703272 Energy: 0.5327454929755032 Energy: 0.5666713252925447 Energy: 0.5666713238425951 Energy: 0.5382463669325536 Energy: 0.6092071646436816 Energy: 0.6092071651984523 minimum gb energy = 0.5220120959229889 eV minimum distance = 2.57682771967394 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.5283146920662751 Energy: 0.554575044558473 Energy: 0.5545751052518383 Energy: 0.5208431445093029 Energy: 0.5185193981997653 Energy: 0.5185192661102236 Energy: 0.5652181300566308 Energy: 0.5177859633245054 Energy: 0.5177862748700206 Energy: 0.5215855137758835 Energy: 0.5807231835042822 Energy: 0.5807231834890895 Energy: 0.5215839026350971 Energy: 0.5826718257558433 Energy: 0.5826703380920005 Energy: 0.5602050645079754 Energy: 0.5409672241630343 Energy: 0.5409672674572247 Energy: 0.518150588869433 Energy: 0.5630059126506541 Energy: 0.5630053625898414 Energy: 0.5333357310971 Energy: 0.6262468638267258 Energy: 0.6262479215208062 Energy: 0.5597614286569478 Energy: 0.5237439236111151 Energy: 0.523744812780254 Energy: 0.5926490200535339 Energy: 0.5204195441783095 Energy: 0.5204192481395324 minimum gb energy = 0.5177859633245054 eV minimum distance = 2.57666229591846 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5306210239086515 Energy: 0.5479790080785131 Energy: 0.5479783436262531 Energy: 0.5250918184633272 Energy: 0.5433232162201529 Energy: 0.5433247577719933 Energy: 0.5249670164769423 Energy: 0.5322144073814667 Energy: 0.5322147050861914 Energy: 0.5232525218950989 Energy: 0.5769060222480296 Energy: 0.5768970053649067 Energy: 0.5213408440981997 Energy: 0.5552753365691728 Energy: 0.5552766180321805 Energy: 0.554680142609133 Energy: 0.519699013474175 Energy: 0.5196987564194033 Energy: 0.5168652165187091 Energy: 0.5657638940766014 Energy: 0.5657620919868773 Energy: 0.5141249637374824 Energy: 0.5877915120043755 Energy: 0.5877934424795951 Energy: 0.5664051629848332 Energy: 0.5232563513426132 Energy: 0.523254516027534 Energy: 0.513082454670427 Energy: 0.5641917365234054 Energy: 0.5641920417645385 minimum gb energy = 0.513082454670427 eV minimum distance = 2.54439636885641 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5187376601766415 Energy: 0.552096707959657 Energy: 0.5520979551806832 Energy: 0.5130774224174964 Energy: 0.5804579561283456 Energy: 0.5804559421986812 Energy: 0.5028393153943826 Energy: 0.5121584808452477 Energy: 0.5121561259693423 Energy: 0.513075908674789 Energy: 0.5218447003813517 Energy: 0.5218447003984151 Energy: 0.5766126547105559 Energy: 0.562690951542767 Energy: 0.5626930818024655 Energy: 0.6418555719916709 Energy: 0.5042288902967939 Energy: 0.5042304517052565 Energy: 0.576640978927717 Energy: 0.5055432433556977 Energy: 0.5055436333391063 Energy: 0.5029476283857843 Energy: 0.562690204403384 Energy: 0.562690098799807 Energy: 0.5271576121880104 Energy: 0.5094927048747357 Energy: 0.5094869760384034 Energy: 0.507618332758645 Energy: 0.5771647816141917 Energy: 0.5771656704169634 minimum gb energy = 0.5028393153943826 eV minimum distance = 2.58273122041299 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5128606194262749 Energy: 0.5279311968351224 Energy: 0.5279320583474582 Energy: 0.5652369281688614 Energy: 0.5040865327685189 Energy: 0.504086937857497 Energy: 0.5070824897032624 Energy: 0.6675624737206685 Energy: 0.6675631194294949 Energy: 0.634770338583114 Energy: 0.5054572009107103 Energy: 0.5054566034497684 Energy: 0.5121672449652391 Energy: 0.6061759439412361 Energy: 0.6061759073509436 Energy: 0.6811609845725364 Energy: 0.5200345760764594 Energy: 0.5200350965416031 Energy: 0.512167271624379 Energy: 0.6061760103679882 Energy: 0.6061760104098056 Energy: 0.5983176422805984 Energy: 0.5383048737685265 Energy: 0.5383044142453957 Energy: 0.5054568724037372 Energy: 0.6045112431092011 Energy: 0.6045116974832058 Energy: 0.6164318951951986 Energy: 0.5025421164753717 Energy: 0.5025435574909071 minimum gb energy = 0.5025421164753717 eV minimum distance = 2.58142916186779 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5241309264686543 Energy: 0.521974716172753 Energy: 0.5219742609519379 Energy: 0.5273810899151394 Energy: 0.5117797642615434 Energy: 0.5117827046147566 Energy: 0.5044730042761724 Energy: 0.5077817026239887 Energy: 0.5077817440971906 Energy: 0.5062841368115467 Energy: 0.5892044884160527 Energy: 0.5892044885458019 Energy: 0.5641879746046073 Energy: 0.5335002579302698 Energy: 0.5334996575076214 Energy: 0.5038704913258868 Energy: 0.5978559760299323 Energy: 0.597851618965399 Energy: 0.5859962758762419 Energy: 0.5460379024445066 Energy: 0.5460377785774702 Energy: 0.4959226740466221 Energy: 0.5917710227264401 Energy: 0.59177048867059 Energy: 0.4968381044680266 Energy: 0.5616500568449241 Energy: 0.5616503204358694 Energy: 0.5147509961307494 Energy: 0.5211385286470706 Energy: 0.5211384914709088 minimum gb energy = 0.4959226740466221 eV minimum distance = 2.55607588228782 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5021687292534407 Energy: 0.5021687295197985 Energy: 0.5021687294762435 Energy: 0.4757445404573727 Energy: 0.5223283035161508 Energy: 0.5223283035437845 Energy: 0.4789472249057028 Energy: 0.6380616807814133 Energy: 0.6380616808928242 Energy: 0.4757445402228384 Energy: 0.592446433645845 Energy: 0.5924464725452318 Energy: 0.5021687291646547 Energy: 0.5017839344462174 Energy: 0.5017852397884391 Energy: 0.5494147032862715 Energy: 0.4778310147941267 Energy: 0.4778308417755651 Energy: 0.5265661742073751 Energy: 0.4778311878009759 Energy: 0.4778308044801531 Energy: 0.5021687294754055 Energy: 0.4778308019497916 Energy: 0.4778308124858575 Energy: 0.4757445408409882 Energy: 0.5474813300079473 Energy: 0.5474806063807705 Energy: 0.4789472092904978 Energy: 0.6380616833787928 Energy: 0.6380616785944643 minimum gb energy = 0.4757445402228384 eV minimum distance = 2.49813841390673 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5101127620828501 Energy: 0.507672367439632 Energy: 0.5076724930126705 Energy: 0.4914247037951681 Energy: 0.5253891993080575 Energy: 0.5253891245258068 Energy: 0.4888561548124379 Energy: 0.5782529176826554 Energy: 0.5782502330519877 Energy: 0.544400121999006 Energy: 0.6174292888380233 Energy: 0.6174300963351513 Energy: 0.5587132016684827 Energy: 0.48562420349057633 Energy: 0.4856244274392693 Energy: 0.5182734849996693 Energy: 0.5048766416451568 Energy: 0.5048767812842196 Energy: 0.5048769313980426 Energy: 0.49377789828307017 Energy: 0.493779493372439 Energy: 0.4832881225274245 Energy: 0.5924342778800035 Energy: 0.5924342253095741 Energy: 0.4894041309738495 Energy: 0.5708492773048347 Energy: 0.5708488888348933 Energy: 0.4819591585617733 Energy: 0.6165335625525228 Energy: 0.6165326718572693 minimum gb energy = 0.4819591585617733 eV minimum distance = 2.55960374804877 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.5033139003699917 Energy: 0.49304628979733583 Energy: 0.4930474145329001 Energy: 0.48351851241990434 Energy: 0.5527354608931816 Energy: 0.5527356618711957 Energy: 0.5153131595110019 Energy: 0.4905359053465169 Energy: 0.49053606127085153 Energy: 0.5123186598744175 Energy: 0.4831375122466522 Energy: 0.48313996193062725 Energy: 0.48796487229452257 Energy: 0.5500287735138844 Energy: 0.5500270359578392 Energy: 0.4869309557461416 Energy: 0.506979647673781 Energy: 0.5069778255636914 Energy: 0.48393760282964376 Energy: 0.4985804193842017 Energy: 0.4985804007015153 Energy: 0.5701944571432191 Energy: 0.5014276496254946 Energy: 0.5014278695419572 Energy: 0.4918620769806999 Energy: 0.49189427055980234 Energy: 0.49189431624662483 Energy: 0.48351858633317213 Energy: 0.5585267196278124 Energy: 0.5585280274870118 minimum gb energy = 0.4831375122466522 eV minimum distance = 2.4802911677511 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.52427901752733 Energy: 0.4967023170341274 Energy: 0.4967022981888882 Energy: 0.5819414373506993 Energy: 0.5163952885948546 Energy: 0.5163947408692096 Energy: 0.4805756664396749 Energy: 0.5681585237447351 Energy: 0.5681571865880956 Energy: 0.5337398401703017 Energy: 0.47547018864030083 Energy: 0.47547006887862064 Energy: 0.4728020948062831 Energy: 0.6381135065740835 Energy: 0.6381116059526437 Energy: 0.5999099088169654 Energy: 0.5198805607956813 Energy: 0.5198805680846715 Energy: 0.48053659623483863 Energy: 0.5739434812843578 Energy: 0.5739425371855164 Energy: 0.6221371071085762 Energy: 0.5337859834995871 Energy: 0.5337859829519437 Energy: 0.4786696473637693 Energy: 0.5739423386923233 Energy: 0.5739426779818515 Energy: 0.6115118345796541 Energy: 0.5340609833026214 Energy: 0.5340630330889341 minimum gb energy = 0.4728020948062831 eV minimum distance = 2.4820402001456 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.5165889538679086 Energy: 0.48919535864745317 Energy: 0.48919049951683835 Energy: 0.47525369233759346 Energy: 0.5596699362873488 Energy: 0.5596092836308604 Energy: 0.47817640828770985 Energy: 0.5019428673710102 Energy: 0.5019431461455852 Energy: 0.5115038479301879 Energy: 0.485801252236418 Energy: 0.4858012541854856 Energy: 0.47555948259755304 Energy: 0.47536599644774064 Energy: 0.4753721468473119 Energy: 0.47948203359622116 Energy: 0.6162662120337983 Energy: 0.6162651287221481 Energy: 0.47826864294217863 Energy: 0.5259750171619935 Energy: 0.5259794050770706 Energy: 0.47292159559890407 Energy: 0.61133971836756 Energy: 0.6113401935572431 Energy: 0.4978715584321402 Energy: 0.5108350537584513 Energy: 0.5108345165696364 Energy: 0.5627516214509558 Energy: 0.5296836606144055 Energy: 0.529683860530357 minimum gb energy = 0.47292159559890407 eV minimum distance = 2.50082316869295 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.44005560146396144 Energy: 0.44005560120795834 Energy: 0.44005560122150994 Energy: 0.45317343897825085 Energy: 0.5927530342131521 Energy: 0.5927530341129006 Energy: 0.46192633396460614 Energy: 0.4531734491930286 Energy: 0.4531734486159744 Energy: 0.4485321187850904 Energy: 0.4531734389254302 Energy: 0.4531734557789188 Energy: 0.44853211878780075 Energy: 0.4531734388793854 Energy: 0.4531735130431126 Energy: 0.6474715232238635 Energy: 0.4485321213533452 Energy: 0.44853211880812816 Energy: 0.4485321187905111 Energy: 0.47432640303897305 Energy: 0.4743263999194122 Energy: 0.4400556014152063 Energy: 0.5131971646395281 Energy: 0.5131963526270946 Energy: 0.6114884402334506 Energy: 0.4531734938381034 Energy: 0.45317347814140274 Energy: 0.44853211981726476 Energy: 0.4531735114786045 Energy: 0.4531734388753199 minimum gb energy = 0.44005560120795834 eV minimum distance = 2.59912311749149 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5410404628710858 Energy: 0.46052731968841554 Energy: 0.4605269133157859 Energy: 0.44778508373095516 Energy: 0.5938639150656881 Energy: 0.5939282529696234 Energy: 0.45424634090591376 Energy: 0.5206960463545612 Energy: 0.5206951365010364 Energy: 0.44991913527848715 Energy: 0.5712553095286192 Energy: 0.5712553038469355 Energy: 0.4457554287411353 Energy: 0.4520727390908 Energy: 0.45207288686287217 Energy: 0.4439603520296656 Energy: 0.6025800892339133 Energy: 0.6025814796071323 Energy: 0.4435790948110427 Energy: 0.49292875825711757 Energy: 0.49292754514772047 Energy: 0.5987150401916217 Energy: 0.49376695145164046 Energy: 0.49376695185753117 Energy: 0.5385973455123452 Energy: 0.5364787295935216 Energy: 0.5364786866284071 Energy: 0.5453650337160112 Energy: 0.4911706636369281 Energy: 0.4911714323125042 minimum gb energy = 0.4435790948110427 eV minimum distance = 2.50822342879762 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4641613074403979 Energy: 0.45507440684315376 Energy: 0.45507463980410856 Energy: 0.4558311288983355 Energy: 0.4517633011433409 Energy: 0.45176599140137014 Energy: 0.4436874109374049 Energy: 0.444417648210702 Energy: 0.4444176865395198 Energy: 0.43448981558544475 Energy: 0.5360552442909804 Energy: 0.5360538671008527 Energy: 0.5749560213810738 Energy: 0.438418338225465 Energy: 0.43841836076880164 Energy: 0.44368815992067684 Energy: 0.5749873163341426 Energy: 0.5749873614380101 Energy: 0.4398818632694226 Energy: 0.49699591104026847 Energy: 0.49699508837494544 Energy: 0.6050457849480579 Energy: 0.4434017823842277 Energy: 0.44340186929867786 Energy: 0.44379660318561814 Energy: 0.4466770254545667 Energy: 0.4466777397080152 Energy: 0.4364029422194289 Energy: 0.5411719033216871 Energy: 0.5411753776213195 minimum gb energy = 0.43448981558544475 eV minimum distance = 2.50660823675309 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.45150406568638984 Energy: 0.43417416192725744 Energy: 0.43417286046217685 Energy: 0.43102034163556757 Energy: 0.5061000016097863 Energy: 0.5060996095107393 Energy: 0.4340266819498779 Energy: 0.4407671289783299 Energy: 0.4407661840644624 Energy: 0.43417245832192475 Energy: 0.4418676602277838 Energy: 0.44186785062934875 Energy: 0.5156655426259006 Energy: 0.5225118108219051 Energy: 0.5225117877861275 Energy: 0.43102051814718584 Energy: 0.44076748108184566 Energy: 0.4407662412423515 Energy: 0.43715377515661646 Energy: 0.46282475899902886 Energy: 0.46282537769868637 Energy: 0.5945025048909377 Energy: 0.5225118071003182 Energy: 0.5225118898154821 Energy: 0.43625840785059805 Energy: 0.43413596634649054 Energy: 0.4341360687415079 Energy: 0.4371544347551315 Energy: 0.5913172325462743 Energy: 0.5913192721889877 minimum gb energy = 0.43102034163556757 eV minimum distance = 2.51355985576543 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5323388668001894 Energy: 0.4294437519551391 Energy: 0.4294438833023399 Energy: 0.4239550780548784 Energy: 0.4323387430372742 Energy: 0.4323389446070149 Energy: 0.422201864802023 Energy: 0.6064874993302714 Energy: 0.6064878304101521 Energy: 0.4236010935544388 Energy: 0.4304011554586243 Energy: 0.43040100651317026 Energy: 0.4325772798936554 Energy: 0.47654087729992384 Energy: 0.47654080489490264 Energy: 0.5266962114384124 Energy: 0.4807571491246572 Energy: 0.4807555324249521 Energy: 0.42612166988108524 Energy: 0.5823121021999506 Energy: 0.5823120840447529 Energy: 0.6166026143811739 Energy: 0.42612854603502887 Energy: 0.42612840216830394 Energy: 0.4283898627242127 Energy: 0.5157529343328652 Energy: 0.515753101570679 Energy: 0.42220186892492656 Energy: 0.5044776408916071 Energy: 0.5044806741906771 minimum gb energy = 0.422201864802023 eV minimum distance = 2.56892625022394 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5098453846486806 Energy: 0.4376999138994442 Energy: 0.43769942849566196 Energy: 0.4285818188467606 Energy: 0.5046821541073712 Energy: 0.5046824325932685 Energy: 0.5039882496687521 Energy: 0.4685042783133078 Energy: 0.4685043326950174 Energy: 0.4291497031492309 Energy: 0.5210734904223584 Energy: 0.5210737506644054 Energy: 0.4861695938838538 Energy: 0.4601238889936511 Energy: 0.4601238649347469 Energy: 0.42546402987497955 Energy: 0.6282664776036 Energy: 0.6282664787874724 Energy: 0.4256573373870568 Energy: 0.5696046057608787 Energy: 0.5696038025499995 Energy: 0.6134140119252771 Energy: 0.46568733114301075 Energy: 0.4656877379158083 Energy: 0.4278180932030715 Energy: 0.5510423694312121 Energy: 0.5510421418278956 Energy: 0.5039868087931556 Energy: 0.532581022368318 Energy: 0.5325804035763055 minimum gb energy = 0.42546402987497955 eV minimum distance = 2.48834008658934 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.41383705781148944 Energy: 0.4141669277518592 Energy: 0.41416692775576813 Energy: 0.40156712029903163 Energy: 0.6857690713879627 Energy: 0.6857689969399549 Energy: 0.39958416107067474 Energy: 0.6610985067496977 Energy: 0.6610985143159207 Energy: 0.4111160107370063 Energy: 0.6851636359248618 Energy: 0.6851601670638945 Energy: 0.39958416885861664 Energy: 0.5408014814172186 Energy: 0.5408014813840152 Energy: 0.41111588586806264 Energy: 0.5503796149296368 Energy: 0.550379613894246 Energy: 0.3947918185893971 Energy: 0.5503797460783549 Energy: 0.5503803315028415 Energy: 0.413837256475944 Energy: 0.5503796229354108 Energy: 0.5503799397455525 Energy: 0.39479181911589867 Energy: 0.6742520130292937 Energy: 0.6742520301836827 Energy: 0.39958417291425147 Energy: 0.538732085665958 Energy: 0.5387320742795 minimum gb energy = 0.3947918185893971 eV minimum distance = 2.52008545351393 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4907632189661847 Energy: 0.4077280661509717 Energy: 0.4077280662694865 Energy: 0.3987776207158403 Energy: 0.5234756326245898 Energy: 0.5234753208555055 Energy: 0.5489575639324136 Energy: 0.44383914250632617 Energy: 0.4438392998852897 Energy: 0.39455609827474364 Energy: 0.5122531109972962 Energy: 0.5122532652069909 Energy: 0.4033261669108405 Energy: 0.5061705584586407 Energy: 0.5061717402450765 Energy: 0.411997926052747 Energy: 0.4282985794684353 Energy: 0.42829787617706283 Energy: 0.3968371397854404 Energy: 0.4834889978988172 Energy: 0.4834873397133725 Energy: 0.6112044495153792 Energy: 0.4394979694548532 Energy: 0.4394981935525316 Energy: 0.39819291302344456 Energy: 0.5566529072149465 Energy: 0.5566519580096388 Energy: 0.39909932152084077 Energy: 0.414274743995246 Energy: 0.41427474448658413 minimum gb energy = 0.39455609827474364 eV minimum distance = 2.57607905146349 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.5092852709968293 Energy: 0.3989986036881059 Energy: 0.39899856199673 Energy: 0.38586439302744674 Energy: 0.4588416044933084 Energy: 0.45884206349815526 Energy: 0.5521897428137507 Energy: 0.4990126701708455 Energy: 0.49901265883498025 Energy: 0.39572786645404007 Energy: 0.5028551201811804 Energy: 0.5028551490747232 Energy: 0.39572829287426164 Energy: 0.631823678911451 Energy: 0.6318255554695754 Energy: 0.38834147211647596 Energy: 0.5139300880535455 Energy: 0.5139301535766542 Energy: 0.5476436593567526 Energy: 0.3868496841810823 Energy: 0.3868496840088867 Energy: 0.5092852723097232 Energy: 0.5577140531516884 Energy: 0.5577140923693502 Energy: 0.3858644239072578 Energy: 0.41077861362704476 Energy: 0.4107795327997405 Energy: 0.3883413858530517 Energy: 0.5643049791465891 Energy: 0.5643045025600664 minimum gb energy = 0.38586439302744674 eV minimum distance = 2.51179641239872 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5371169750419743 Energy: 0.6351240485839736 Energy: 0.6351235978298483 Energy: 0.3889158407344928 Energy: 0.4633106203153748 Energy: 0.46331073633611974 Energy: 0.3918733455651678 Energy: 0.6368239721582257 Energy: 0.6368245372845591 Energy: 0.5508577371968313 Energy: 0.3870375951128707 Energy: 0.3870376239563043 Energy: 0.39009108037153994 Energy: 0.5251557615580825 Energy: 0.5251557615248514 Energy: 0.5638613607532067 Energy: 0.42380696308580196 Energy: 0.42380709629047 Energy: 0.38882033772486935 Energy: 0.4463743154888292 Energy: 0.4463753120251874 Energy: 0.6012654701106003 Energy: 0.423807107862811 Energy: 0.42380696416387004 Energy: 0.38882027102775657 Energy: 0.5121273002549536 Energy: 0.51212727854555 Energy: 0.4563005736258813 Energy: 0.42316153256433114 Energy: 0.42316167744387784 minimum gb energy = 0.3870375951128707 eV minimum distance = 2.51355958687116 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4478608928637444 Energy: 0.5065619038910811 Energy: 0.5065613996236219 Energy: 0.42296702272608144 Energy: 0.5289391074359319 Energy: 0.5289390915266079 Energy: 0.4245927948118072 Energy: 0.3806853962888032 Energy: 0.380685098006702 Energy: 0.3741978266523726 Energy: 0.5752753765537096 Energy: 0.5752752180156474 Energy: 0.37419782584007 Energy: 0.5039938609092363 Energy: 0.5039938351162441 Energy: 0.3682192578882213 Energy: 0.5619694271728093 Energy: 0.5619698130607004 Energy: 0.422967021288293 Energy: 0.3741978270017262 Energy: 0.37419782714587957 Energy: 0.44786275066930664 Energy: 0.6081352798596443 Energy: 0.6082498860440333 Energy: 0.42296737165519266 Energy: 0.5395113699373293 Energy: 0.5395128148705918 Energy: 0.4133323056179975 Energy: 0.5150608356193662 Energy: 0.51506077428856 minimum gb energy = 0.3682192578882213 eV minimum distance = 2.51230283042918 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.48771594750044006 Energy: 0.577362162685445 Energy: 0.5773604925332717 Energy: 0.35453122818541033 Energy: 0.5372916952535705 Energy: 0.5372989930842318 Energy: 0.354507410941247 Energy: 0.47669361968441487 Energy: 0.4766939529216786 Energy: 0.5626657356086735 Energy: 0.4097878925223842 Energy: 0.4097883088712086 Energy: 0.4684489083085723 Energy: 0.47486543582850865 Energy: 0.4748662389740156 Energy: 0.3638230359985453 Energy: 0.5059291988261521 Energy: 0.5059289212417151 Energy: 0.3607063126855194 Energy: 0.4404142870815973 Energy: 0.44041274532500124 Energy: 0.5606803904629005 Energy: 0.45571278432702017 Energy: 0.4557152315205777 Energy: 0.4490405670387852 Energy: 0.35974971916861653 Energy: 0.3597496942383362 Energy: 0.35361592269828185 Energy: 0.5137660824864557 Energy: 0.513766082418761 minimum gb energy = 0.35361592269828185 eV minimum distance = 2.50922683297997 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5016259985227842 Energy: 0.5635298258069689 Energy: 0.5635301305920222 Energy: 0.4280336828241377 Energy: 0.34719270774559474 Energy: 0.34719273085575875 Energy: 0.34268768429130986 Energy: 0.4666481968167967 Energy: 0.466648027042729 Energy: 0.34097356919855193 Energy: 0.35447812004475127 Energy: 0.35447819259004926 Energy: 0.3426876836715927 Energy: 0.4666481809960512 Energy: 0.4666481151605217 Energy: 0.3426876842594041 Energy: 0.42783045392346347 Energy: 0.427830453956592 Energy: 0.3413646585905611 Energy: 0.42783062570731084 Energy: 0.42783056224114097 Energy: 0.5016257673485739 Energy: 0.5406682223754689 Energy: 0.5406662946543193 Energy: 0.4947973707725726 Energy: 0.42783056409898435 Energy: 0.42783045872096104 Energy: 0.34268769072214444 Energy: 0.5800372161159641 Energy: 0.5800375792363853 minimum gb energy = 0.34097356919855193 eV minimum distance = 2.61889835274114 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.48702865808551277 Energy: 0.5484826901830786 Energy: 0.5484326329794718 Energy: 0.39981213150589745 Energy: 0.4139108924884065 Energy: 0.4139106344407582 Energy: 0.3312556326248453 Energy: 0.4838159149829609 Energy: 0.4838158231203646 Energy: 0.340323865679608 Energy: 0.45325925325366423 Energy: 0.45325932150981496 Energy: 0.5474794753382093 Energy: 0.37041091617188565 Energy: 0.3704109147886829 Energy: 0.3352319461287415 Energy: 0.5457857153841873 Energy: 0.5457855957491824 Energy: 0.32765211819291457 Energy: 0.47978282382770104 Energy: 0.47978295553767064 Energy: 0.5481802103877276 Energy: 0.41385791172675734 Energy: 0.41385758428064034 Energy: 0.334465736635423 Energy: 0.508738252366188 Energy: 0.5087403402221221 Energy: 0.32731226287681564 Energy: 0.4803028437220337 Energy: 0.4803028952763802 minimum gb energy = 0.32731226287681564 eV minimum distance = 2.51598916505359 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.459097307488703 Energy: 0.5221370696717637 Energy: 0.5221370725853685 Energy: 0.32549372362058837 Energy: 0.4378465095125929 Energy: 0.43784643147409974 Energy: 0.31836763479751484 Energy: 0.4494875718610815 Energy: 0.44948754660791207 Energy: 0.37832927449754217 Energy: 0.44978179295492704 Energy: 0.449781798634274 Energy: 0.3183675600280464 Energy: 0.44978180625775865 Energy: 0.4497817090135822 Energy: 0.31836763515722266 Energy: 0.4378464265056889 Energy: 0.43784642611052094 Energy: 0.32549379991093785 Energy: 0.5239418315722565 Energy: 0.5239454564080548 Energy: 0.4590973230259536 Energy: 0.44173375303451173 Energy: 0.4417337918272667 Energy: 0.3963475883709445 Energy: 0.4539740352164065 Energy: 0.45397390661120557 Energy: 0.3501055881806297 Energy: 0.31755272655132727 Energy: 0.31755270378633804 minimum gb energy = 0.31755270378633804 eV minimum distance = 2.58782974864356 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5207040443902209 Energy: 0.5151473617762775 Energy: 0.5151473460881516 Energy: 0.3119496253985243 Energy: 0.5533695150554262 Energy: 0.5533696414635242 Energy: 0.3115435019372737 Energy: 0.5102813750203976 Energy: 0.510281366826923 Energy: 0.39081226620180687 Energy: 0.5164912128120877 Energy: 0.5164911957460524 Energy: 0.3908124534309989 Energy: 0.4114700170914089 Energy: 0.4114677297453861 Energy: 0.30986749366544636 Energy: 0.4115698918850408 Energy: 0.41156974950582326 Energy: 0.32335194678411194 Energy: 0.4303977096572113 Energy: 0.43039775141189124 Energy: 0.5613919919018134 Energy: 0.4075767514371322 Energy: 0.4075768160350687 Energy: 0.38057499894602953 Energy: 0.43308798718758823 Energy: 0.4330882104581957 Energy: 0.3071978083515154 Energy: 0.49003725665234316 Energy: 0.4900360318209933 minimum gb energy = 0.3071978083515154 eV minimum distance = 2.52165171849705 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4336124823037351 Energy: 0.4940860821672466 Energy: 0.49408615974608905 Energy: 0.3164966425244279 Energy: 0.49216155286051105 Energy: 0.49216435544280007 Energy: 0.2888123056125412 Energy: 0.4756112187451066 Energy: 0.4756102087051781 Energy: 0.28983767827935186 Energy: 0.4145664527164076 Energy: 0.41456643174787444 Energy: 0.3694252109686067 Energy: 0.41456647054786755 Energy: 0.41456637031155913 Energy: 0.28881230599112356 Energy: 0.36538395647550953 Energy: 0.36538359606696336 Energy: 0.40224932001703345 Energy: 0.49692926451044 Energy: 0.4969435265670127 Energy: 0.4336124698073199 Energy: 0.4154348100652664 Energy: 0.4154348100138068 Energy: 0.31649664115160714 Energy: 0.4768616494395593 Energy: 0.4768616482900227 Energy: 0.3003231144302492 Energy: 0.4921556696412353 Energy: 0.49215619195442273 minimum gb energy = 0.2888123056125412 eV minimum distance = 2.59649474399948 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4496776030044635 Energy: 0.4667148264963608 Energy: 0.4666789014976546 Energy: 0.46566281072470894 Energy: 0.3342838632425563 Energy: 0.3342838722738381 Energy: 0.27905896464365687 Energy: 0.39616819383551555 Energy: 0.3961681015268803 Energy: 0.2790589480550165 Energy: 0.4668408290263855 Energy: 0.4668421421726947 Energy: 0.2718245527066946 Energy: 0.3917208922597218 Energy: 0.39172089228689 Energy: 0.28533866430418464 Energy: 0.45866736248026924 Energy: 0.45866736228435595 Energy: 0.42771571090519434 Energy: 0.38469315950671734 Energy: 0.38469315952942196 Energy: 0.4901522149059674 Energy: 0.47369565380895656 Energy: 0.4736754327852941 Energy: 0.37850730462146803 Energy: 0.4736747922073963 Energy: 0.47367506612340965 Energy: 0.33201764208331713 Energy: 0.37802435753088875 Energy: 0.37802414605261125 minimum gb energy = 0.2718245527066946 eV minimum distance = 2.52321820854756 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.481885343751432 Energy: 0.4471715486964034 Energy: 0.4471715462362057 Energy: 0.4007048144671144 Energy: 0.4290983446326125 Energy: 0.4290952176926814 Energy: 0.2835977620173671 Energy: 0.34021788006449155 Energy: 0.3402179441068911 Energy: 0.2705348557734308 Energy: 0.43918542428758106 Energy: 0.43918552360400737 Energy: 0.26195032956887326 Energy: 0.44353289645942434 Energy: 0.4435339265436232 Energy: 0.3333366371862997 Energy: 0.3590721877108589 Energy: 0.3590722447411304 Energy: 0.30458415745452766 Energy: 0.4445436055403921 Energy: 0.4445436027560375 Energy: 0.48193883453461883 Energy: 0.4435016494111519 Energy: 0.443492641682453 Energy: 0.48891134528788033 Energy: 0.3099665632926333 Energy: 0.3099665496659298 Energy: 0.2733205407839842 Energy: 0.4533180617224227 Energy: 0.4533136833624779 minimum gb energy = 0.26195032956887326 eV minimum distance = 2.61632642381116 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4549227785390468 Energy: 0.4247256787430709 Energy: 0.4247256614650226 Energy: 0.35727180113100226 Energy: 0.47653288999738597 Energy: 0.4765329800520954 Energy: 0.25625610808019234 Energy: 0.45759310458087993 Energy: 0.45759310432233147 Energy: 0.25418729523496686 Energy: 0.42157919961923185 Energy: 0.4215794280402853 Energy: 0.25418734452662356 Energy: 0.42027231939509546 Energy: 0.4202769771671186 Energy: 0.25625605401433776 Energy: 0.4296417606054597 Energy: 0.429641839836391 Energy: 0.3577027092239584 Energy: 0.4202689729813217 Energy: 0.420287397191488 Energy: 0.47990294630806113 Energy: 0.34822945267239375 Energy: 0.3482294527374417 Energy: 0.3577025928441553 Energy: 0.42031505447677314 Energy: 0.4209212076540536 Energy: 0.26731533919967404 Energy: 0.3943082371131928 Energy: 0.39430832378498976 minimum gb energy = 0.25418729523496686 eV minimum distance = 2.56709463997413 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.4146658636654278 Energy: 0.40235521855176587 Energy: 0.40236481052315626 Energy: 0.3204676528968816 Energy: 0.3930977671534691 Energy: 0.39309794182105756 Energy: 0.3410043817460331 Energy: 0.24723534792795762 Energy: 0.24723533224389943 Energy: 0.2359053244283703 Energy: 0.402831391144922 Energy: 0.4028294822117772 Energy: 0.24753307637730101 Energy: 0.39787598111330513 Energy: 0.39787588362493387 Energy: 0.2407627043025707 Energy: 0.3928145995124437 Energy: 0.39280509123040264 Energy: 0.5483151031884842 Energy: 0.24368696327739048 Energy: 0.24368686987586086 Energy: 0.46119456513156837 Energy: 0.40266918586266276 Energy: 0.40266918578345 Energy: 0.3204678200712039 Energy: 0.4388727354561867 Energy: 0.4388956313846643 Energy: 0.24046675529620906 Energy: 0.40266918565714055 Energy: 0.4026691855287301 minimum gb energy = 0.2359053244283703 eV minimum distance = 2.61942173708721 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.4418585004394841 Energy: 0.3846428397051741 Energy: 0.38464271644150183 Energy: 0.45290417258877047 Energy: 0.29848104834133626 Energy: 0.2984809454901644 Energy: 0.23479164869199687 Energy: 0.381264862336675 Energy: 0.3812647481594191 Energy: 0.22344490039737883 Energy: 0.35771444657122403 Energy: 0.35771856564281185 Energy: 0.2347916506031612 Energy: 0.3861124792910445 Energy: 0.38611228870803943 Energy: 0.22928308349168963 Energy: 0.365228627174418 Energy: 0.3652288726654357 Energy: 0.3014600792760154 Energy: 0.39103198268843425 Energy: 0.3910318829997724 Energy: 0.4388622161625844 Energy: 0.37725388354282585 Energy: 0.37725483707368185 Energy: 0.36828175179040934 Energy: 0.38607671565400464 Energy: 0.3860814015902922 Energy: 0.23179310712704682 Energy: 0.3852987598126646 Energy: 0.3852819666976974 minimum gb energy = 0.22344490039737883 eV minimum distance = 2.618109915437 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4364514720285791 Energy: 0.3732964737338612 Energy: 0.37329619884159354 Energy: 0.3091747456630564 Energy: 0.37085357877871106 Energy: 0.37063705787271434 Energy: 0.2538144423664045 Energy: 0.3555948093208439 Energy: 0.35559513194577097 Energy: 0.22938364931391417 Energy: 0.3551781157038273 Energy: 0.3551783335413508 Energy: 0.21994256657954572 Energy: 0.3704731610179197 Energy: 0.3712311276375691 Energy: 0.22540526757506668 Energy: 0.41044671643342195 Energy: 0.41044678152056707 Energy: 0.30917450650611306 Energy: 0.3656640185038118 Energy: 0.3656639711441307 Energy: 0.476666264738776 Energy: 0.3555946662637149 Energy: 0.35559596078927236 Energy: 0.44466845130777305 Energy: 0.2831807333855547 Energy: 0.2831807343945629 Energy: 0.2950124458225265 Energy: 0.34392611255819394 Energy: 0.34391209620298174 minimum gb energy = 0.21994256657954572 eV minimum distance = 2.56857301304629 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.4036155303662484 Energy: 0.3558154031587245 Energy: 0.3558149564660471 Energy: 0.2821871826126356 Energy: 0.3553565090797757 Energy: 0.35535640902895366 Energy: 0.2149326889938324 Energy: 0.35631130619569934 Energy: 0.35631144454536867 Energy: 0.21169960580001917 Energy: 0.3500573158987533 Energy: 0.3500566104183789 Energy: 0.2092752360265071 Energy: 0.3385280376079199 Energy: 0.3385246604284742 Energy: 0.38729547521086516 Energy: 0.2720227543128991 Energy: 0.27202272712521 Energy: 0.37902249601265353 Energy: 0.298459095460274 Energy: 0.2984588767352679 Energy: 0.44170830684554657 Energy: 0.35094602180198053 Energy: 0.3509479726557804 Energy: 0.33709622789079374 Energy: 0.36345162614865767 Energy: 0.36274799234989336 Energy: 0.2194189306512644 Energy: 0.38958245935865454 Energy: 0.38958244349640186 minimum gb energy = 0.2092752360265071 eV minimum distance = 2.6233294812384 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011682592535307618 Energy: 0.011682592529084676 Energy: 0.011682592530458828 Energy: 0.01168259253185261 Energy: 0.19910023590332385 Energy: 0.19910023588985715 Energy: 0.011682592526316742 Energy: 0.19910023589193804 Energy: 0.19910023589331216 Energy: 0.0116825925283976 Energy: 0.19910023589227174 Energy: 0.1991002358960801 Energy: 0.011682592526670095 Energy: 0.1991002358902105 Energy: 0.1991002358860684 Energy: 0.011682592525629667 Energy: 0.19910023589676717 Energy: 0.1991002358860684 Energy: 0.01168259252598302 Energy: 0.19910023589297846 Energy: 0.19910023589125095 Energy: 0.01168259252598302 Energy: 0.011682592523902163 Energy: 0.011682592529084676 Energy: 0.011682592531145902 Energy: 0.19910023589297846 Energy: 0.19910023589470596 Energy: 0.011682592524942591 Energy: 0.1991002358905639 Energy: 0.19910023589193804 minimum gb energy = 0.011682592523902163 eV minimum distance = 2.83997956596928 Angstroms sigma value = 1