model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_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=4.049994595348835 cohesive_energy=3.360264143322612 mass=26.981538 Isolated atom energy: -5.87828410947289e-10 eV ======================================== theta = 0.0 ======================================== Energy: 0.01032624159743919 Energy: 0.010326241600381975 Energy: 0.010326241599410299 Energy: 0.01032624159743919 Energy: 0.010326241600381975 Energy: 0.010326241599882257 Energy: 0.010326241596967234 Energy: 0.01032624159743919 Energy: 0.010326241598910582 Energy: 0.010326241598910582 Energy: 0.01032624160085393 Energy: 0.010326241601353649 Energy: 0.010326241599882257 Energy: 0.010326241599410299 Energy: 0.010326241598910582 Energy: 0.3387395474795467 Energy: 0.010326241598410862 Energy: 0.01032624159743919 Energy: 0.010326241599882257 Energy: 0.010326241596967234 Energy: 0.01032624159743919 Energy: 0.010326241596467516 Energy: 0.010326241596967234 Energy: 0.010326241600381975 Energy: 0.010326241598910582 Energy: 0.01032624159743919 Energy: 0.01032624160085393 Energy: 0.010326241598910582 Energy: 0.010326241599882257 Energy: 0.010326241603796716 minimum gb energy = 0.010326241596467516 eV minimum distance = 2.86367824425397 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43128698344141686 Energy: 0.39820737265647715 Energy: 0.39820737266200246 Energy: 0.38980724203370415 Energy: 0.3982156658960168 Energy: 0.39821580632580333 Energy: 0.3903530192178693 Energy: 0.45011969730409135 Energy: 0.450119697299541 Energy: 0.4024775907745399 Energy: 0.38458600076813065 Energy: 0.38458600076845567 Energy: 0.40563477907760176 Energy: 0.3985660831218925 Energy: 0.3985660722284682 Energy: 0.3696857384101746 Energy: 0.40673167586858894 Energy: 0.40673151215136255 Energy: 0.3902685474590226 Energy: 0.3985660965386301 Energy: 0.3985660718015682 Energy: 0.40359079329548136 Energy: 0.43849377743950857 Energy: 0.4384937777501102 Energy: 0.3982074260476621 Energy: 0.4385071250821618 Energy: 0.4385071993917991 Energy: 0.3963625820349848 Energy: 0.4132711084758085 Energy: 0.4132710740262407 minimum gb energy = 0.3696857384101746 eV minimum distance = 2.58513658060104 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.444438140000681 Energy: 0.4150026290951702 Energy: 0.41500260643444864 Energy: 0.38227463892988073 Energy: 0.4170998561918923 Energy: 0.4170998273947511 Energy: 0.3968301616183984 Energy: 0.41544148450331564 Energy: 0.4154413768336599 Energy: 0.3967286100984359 Energy: 0.4175286370129631 Energy: 0.41752869830718714 Energy: 0.38319721466111156 Energy: 0.4150105455909645 Energy: 0.41501056589698504 Energy: 0.4141629591339626 Energy: 0.4175284655482343 Energy: 0.4175284969297425 Energy: 0.3868563091341042 Energy: 0.4154413679838148 Energy: 0.4154414569352052 Energy: 0.3931100599992018 Energy: 0.4175287623698083 Energy: 0.4175283544817253 Energy: 0.3973456973835815 Energy: 0.41544127814369913 Energy: 0.415441389192802 Energy: 0.3844682030283583 Energy: 0.4268494224113291 Energy: 0.4268489553004463 minimum gb energy = 0.38227463892988073 eV minimum distance = 2.62559674380547 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.46475886973693664 Energy: 0.42851545999252305 Energy: 0.42851543894922606 Energy: 0.4098366168086101 Energy: 0.4272311457790565 Energy: 0.4272311469979457 Energy: 0.44632860454446355 Energy: 0.4115770757771559 Energy: 0.41157680346360687 Energy: 0.4113592189967382 Energy: 0.48776342094427994 Energy: 0.48776342476614354 Energy: 0.4235921080405134 Energy: 0.426219816961693 Energy: 0.4262201442625122 Energy: 0.3955947750236456 Energy: 0.4383172121782327 Energy: 0.43831714358272555 Energy: 0.41350418515655546 Energy: 0.4154281676421368 Energy: 0.41542816707916114 Energy: 0.420389897609934 Energy: 0.506738568622981 Energy: 0.5067385596153707 Energy: 0.46622956799668275 Energy: 0.4154281019474276 Energy: 0.41542606109272895 Energy: 0.4086357575634362 Energy: 0.43831709065265856 Energy: 0.43831777664098115 minimum gb energy = 0.3955947750236456 eV minimum distance = 2.62721855742992 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.47309246600224447 Energy: 0.44413285707027034 Energy: 0.4441327481143061 Energy: 0.42707986116779756 Energy: 0.4918392504539739 Energy: 0.4918397284203853 Energy: 0.45968634012936294 Energy: 0.44081494919333586 Energy: 0.44081522900983805 Energy: 0.4272338338281875 Energy: 0.4441181820199626 Energy: 0.4441188460662851 Energy: 0.4382747649669054 Energy: 0.5004718490957023 Energy: 0.5004719591646049 Energy: 0.438540430922482 Energy: 0.4479519271848675 Energy: 0.4479519683438507 Energy: 0.43827476487077444 Energy: 0.5397301838276304 Energy: 0.5397301774943156 Energy: 0.41697061490637255 Energy: 0.4448226313368769 Energy: 0.44482245446144403 Energy: 0.43629904427305083 Energy: 0.43695762267626376 Energy: 0.43695751863566495 Energy: 0.4323509768121484 Energy: 0.46025431095417496 Energy: 0.4602538529229734 minimum gb energy = 0.41697061490637255 eV minimum distance = 2.5883838793423 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4886510320218043 Energy: 0.4671010069052741 Energy: 0.467100573135046 Energy: 0.45876911674566984 Energy: 0.5085921231873498 Energy: 0.5085912540302938 Energy: 0.44389587679955594 Energy: 0.4568252055331393 Energy: 0.4568251974701071 Energy: 0.43933223288300216 Energy: 0.4824865046136909 Energy: 0.48248724763548334 Energy: 0.5031908112818912 Energy: 0.46931088585761 Energy: 0.4693108940479844 Energy: 0.4233254769265912 Energy: 0.4671090829174807 Energy: 0.46710907554822495 Energy: 0.4562991850296181 Energy: 0.4532654067207334 Energy: 0.4532654061476837 Energy: 0.4562991850680842 Energy: 0.4963812603389501 Energy: 0.49638138664796455 Energy: 0.43351395786707597 Energy: 0.4559483448226626 Energy: 0.45594862677356224 Energy: 0.45629918592103325 Energy: 0.45024464437987904 Energy: 0.4502444227926969 minimum gb energy = 0.4233254769265912 eV minimum distance = 2.57620094424522 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.4838445831127332 Energy: 0.4784551438719434 Energy: 0.4784552095258529 Energy: 0.45210910098365636 Energy: 0.47960977973079283 Energy: 0.4796098355846027 Energy: 0.4643222302878778 Energy: 0.5422776780525963 Energy: 0.5422758032929899 Energy: 0.4515909387878321 Energy: 0.5315688722465506 Energy: 0.5315688714199198 Energy: 0.46468298582364176 Energy: 0.4852556703267581 Energy: 0.4852555633428343 Energy: 0.46468300276660035 Energy: 0.4976961072406972 Energy: 0.4976961245048718 Energy: 0.45932794972779395 Energy: 0.49769610701181294 Energy: 0.497696306484594 Energy: 0.4645718355925132 Energy: 0.48525558796074103 Energy: 0.48525557884923887 Energy: 0.4643221656477153 Energy: 0.5397079193074519 Energy: 0.5397080070182042 Energy: 0.4795513825500283 Energy: 0.47845509253767465 Energy: 0.4784551723445727 minimum gb energy = 0.4515909387878321 eV minimum distance = 2.59900771906856 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5023144066418275 Energy: 0.5038924128719193 Energy: 0.5038924262217452 Energy: 0.49098357430507833 Energy: 0.5046791671686249 Energy: 0.5046791107187633 Energy: 0.4578886461033861 Energy: 0.5046791539444727 Energy: 0.5046791930609135 Energy: 0.45843063527570566 Energy: 0.5046791366644214 Energy: 0.5046791558596494 Energy: 0.4746502878475417 Energy: 0.5038869453655808 Energy: 0.5038869485401446 Energy: 0.46341287936079006 Energy: 0.5038869944464048 Energy: 0.5038869586690518 Energy: 0.5073280533339632 Energy: 0.5046791784166276 Energy: 0.5046791689873144 Energy: 0.4631261844240328 Energy: 0.5046791775660975 Energy: 0.5046791852652126 Energy: 0.48485366982121775 Energy: 0.5046791544552128 Energy: 0.5046790266259603 Energy: 0.4853572009855216 Energy: 0.5038924031076231 Energy: 0.5038924006250504 minimum gb energy = 0.4578886461033861 eV minimum distance = 2.60129903549244 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5356424629855266 Energy: 0.527189213662059 Energy: 0.5271892136263295 Energy: 0.500830024160556 Energy: 0.48523423330480103 Energy: 0.4852342319545212 Energy: 0.5003825598837496 Energy: 0.49390729944785267 Energy: 0.4939073000935992 Energy: 0.5587096072490445 Energy: 0.49028287751247807 Energy: 0.49028266254861863 Energy: 0.5003388393706792 Energy: 0.5069965340200074 Energy: 0.5069965341084633 Energy: 0.5195938431367859 Energy: 0.5069960972124341 Energy: 0.5069960970888551 Energy: 0.5587095915441624 Energy: 0.49560313048692206 Energy: 0.4956031305917411 Energy: 0.5256765630955159 Energy: 0.4939072076514114 Energy: 0.49390744183670404 Energy: 0.48762391037176694 Energy: 0.48523423615500005 Energy: 0.4852342400404706 Energy: 0.5231036887195082 Energy: 0.5109032788308865 Energy: 0.510903279237381 minimum gb energy = 0.4852342319545212 eV minimum distance = 2.49781856451812 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5129409946583516 Energy: 0.5442617111334725 Energy: 0.5442617193110867 Energy: 0.5171599030545897 Energy: 0.5032567562613736 Energy: 0.5032571794473133 Energy: 0.5059600017723734 Energy: 0.5087848668791637 Energy: 0.5215316500878814 Energy: 0.5127156500582405 Energy: 0.54255895811373 Energy: 0.5425593595672363 Energy: 0.5145120634552773 Energy: 0.5896401266327294 Energy: 0.5896401267298589 Energy: 0.518166287789024 Energy: 0.5103337007387626 Energy: 0.5103336825287081 Energy: 0.5233913700868705 Energy: 0.5267014833802687 Energy: 0.5267014834222437 Energy: 0.5135022979033246 Energy: 0.5768748405962711 Energy: 0.5768749969299662 Energy: 0.48485331324508324 Energy: 0.5495812643249628 Energy: 0.5495797697624655 Energy: 0.5129409947032033 Energy: 0.539213671449333 Energy: 0.5392107898979148 minimum gb energy = 0.48485331324508324 eV minimum distance = 2.56968454883811 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5577658303346785 Energy: 0.5506181509250923 Energy: 0.5506183466954756 Energy: 0.5555985244174678 Energy: 0.5161235889073217 Energy: 0.5161232571373254 Energy: 0.5626585836602126 Energy: 0.5330387692665239 Energy: 0.5330393392730295 Energy: 0.5010255524706787 Energy: 0.5237665480091873 Energy: 0.5091931294359245 Energy: 0.5084522280854779 Energy: 0.5454811327799461 Energy: 0.545481128621267 Energy: 0.4955878356879727 Energy: 0.5512916622987396 Energy: 0.5512914594010314 Energy: 0.5049626348174783 Energy: 0.594969262770757 Energy: 0.5950618775945986 Energy: 0.4859975396648658 Energy: 0.5521857163054888 Energy: 0.5521855511660994 Energy: 0.5181765547128043 Energy: 0.5037886374637519 Energy: 0.5037886484264918 Energy: 0.5138949322727876 Energy: 0.5112604915203889 Energy: 0.508594124735004 minimum gb energy = 0.4859975396648658 eV minimum distance = 2.60237709451005 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5338068529200944 Energy: 0.532974075665889 Energy: 0.5329877284261894 Energy: 0.5008324250289943 Energy: 0.5339164120869327 Energy: 0.5339167012489887 Energy: 0.5149734680886635 Energy: 0.5814737764386362 Energy: 0.5814733939636335 Energy: 0.5083778111152403 Energy: 0.5328649435657917 Energy: 0.5328649596001662 Energy: 0.5247436974053079 Energy: 0.5370623835339378 Energy: 0.537062329744008 Energy: 0.5395415636610029 Energy: 0.53930810044705 Energy: 0.5393081024625631 Energy: 0.5420960823640626 Energy: 0.5189237002681495 Energy: 0.5189236791440478 Energy: 0.5189241136500287 Energy: 0.5212610673971908 Energy: 0.5212608757076082 Energy: 0.5222517445188256 Energy: 0.5297102108603801 Energy: 0.5297102609014439 Energy: 0.5308009665999985 Energy: 0.5675481537768624 Energy: 0.5675481938089838 minimum gb energy = 0.5008324250289943 eV minimum distance = 2.53702364993525 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5457595387634047 Energy: 0.5836178685034831 Energy: 0.5836181503945699 Energy: 0.5452998872273574 Energy: 0.5236804172760617 Energy: 0.5236804472682807 Energy: 0.5794795420779987 Energy: 0.5525805497553467 Energy: 0.5525207483665583 Energy: 0.5718146353015017 Energy: 0.586069433360704 Energy: 0.5860695591355077 Energy: 0.5236812587854169 Energy: 0.5233863115026557 Energy: 0.5233862810078054 Energy: 0.5199741379292968 Energy: 0.5213806013488475 Energy: 0.521380655904769 Energy: 0.5345471563541477 Energy: 0.5639284096879407 Energy: 0.563928409686334 Energy: 0.5186405337666073 Energy: 0.586785300888365 Energy: 0.5867853066131804 Energy: 0.5595102836440193 Energy: 0.5199741151360313 Energy: 0.5199741123234176 Energy: 0.5437883622720628 Energy: 0.5357312992060947 Energy: 0.5357312994341153 minimum gb energy = 0.5186405337666073 eV minimum distance = 2.51704408165841 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5945758149568776 Energy: 0.5524700911288166 Energy: 0.5524694497445318 Energy: 0.5420346196539317 Energy: 0.6903993587120272 Energy: 0.6903994062169623 Energy: 0.55785689936532 Energy: 0.5449224899517642 Energy: 0.5449234461599543 Energy: 0.5774356622904495 Energy: 0.5847013291401232 Energy: 0.5847013226815295 Energy: 0.5446129301409767 Energy: 0.5414715894221832 Energy: 0.541471589733209 Energy: 0.5648505483261931 Energy: 0.5759893276006199 Energy: 0.5759893515575177 Energy: 0.5378833200670542 Energy: 0.549304217358851 Energy: 0.5493042671632742 Energy: 0.5857694345474995 Energy: 0.5332712653419504 Energy: 0.5332712653428047 Energy: 0.54461884407509 Energy: 0.5453855873262388 Energy: 0.5453861091872385 Energy: 0.5922020209970207 Energy: 0.5423898033636575 Energy: 0.542390043950536 minimum gb energy = 0.5332712653419504 eV minimum distance = 2.5130466602439 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5972979262530832 Energy: 0.5402475575070571 Energy: 0.5402475571986314 Energy: 0.5413321049868159 Energy: 0.57605277633463 Energy: 0.5760527968071737 Energy: 0.5805510327914759 Energy: 0.6447439653328289 Energy: 0.6447439706200141 Energy: 0.5561601277910955 Energy: 0.5313542542500701 Energy: 0.5313543985730966 Energy: 0.5561601330619905 Energy: 0.580232800471606 Energy: 0.5802328015625732 Energy: 0.5368425159920416 Energy: 0.5760529122355146 Energy: 0.5760527862720696 Energy: 0.516480370754076 Energy: 0.5430162056523148 Energy: 0.5430162056475235 Energy: 0.516480327772687 Energy: 0.5413187965545225 Energy: 0.5413187964759897 Energy: 0.5672344604188295 Energy: 0.5817733414299494 Energy: 0.5817732236348412 Energy: 0.5714412985204481 Energy: 0.571255441714971 Energy: 0.5712554416843288 minimum gb energy = 0.516480327772687 eV minimum distance = 2.55473365722772 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5929233984898815 Energy: 0.5794031919606304 Energy: 0.5794033096694537 Energy: 0.5830963315788931 Energy: 0.5565325963524992 Energy: 0.556532612184124 Energy: 0.6010278734769192 Energy: 0.5454433123439272 Energy: 0.5454412642825025 Energy: 0.5566009868320576 Energy: 0.5794032012296255 Energy: 0.5794031987258769 Energy: 0.5568224999240917 Energy: 0.5567015704513052 Energy: 0.5567012855221101 Energy: 0.6089560318519184 Energy: 0.5558494942291509 Energy: 0.5558498431292416 Energy: 0.5350527661174584 Energy: 0.5794033233977857 Energy: 0.5794032439615948 Energy: 0.5781800220199468 Energy: 0.5446904821733398 Energy: 0.5447486994222192 Energy: 0.5665075870547331 Energy: 0.5454548698886489 Energy: 0.545249749800709 Energy: 0.5198617897391667 Energy: 0.579403280046022 Energy: 0.5794032799119679 minimum gb energy = 0.5198617897391667 eV minimum distance = 2.49598960208957 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6160596493782756 Energy: 0.5808986439793661 Energy: 0.5809020729947684 Energy: 0.545929841108704 Energy: 0.5892366307471268 Energy: 0.5892365649989406 Energy: 0.5919969325379749 Energy: 0.5494121748523088 Energy: 0.5494120946141579 Energy: 0.5460956260756197 Energy: 0.5476376867243775 Energy: 0.5476373918274908 Energy: 0.5820573193313225 Energy: 0.525876688790921 Energy: 0.5258766996792201 Energy: 0.6278181361445262 Energy: 0.5644528887434791 Energy: 0.5644528883128017 Energy: 0.5707730979621046 Energy: 0.546535889469265 Energy: 0.5465356898424664 Energy: 0.5326864901995016 Energy: 0.5465364198785572 Energy: 0.5465356882543223 Energy: 0.6048124181966575 Energy: 0.5562061615635315 Energy: 0.5562071526518861 Energy: 0.5762704003240634 Energy: 0.5350917874637169 Energy: 0.535091743591186 minimum gb energy = 0.525876688790921 eV minimum distance = 2.50738239604423 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.6059449468351853 Energy: 0.5629463965957652 Energy: 0.5629466924937544 Energy: 0.532235828385859 Energy: 0.5629464522400273 Energy: 0.5629466004538736 Energy: 0.5830683954349567 Energy: 0.5622625018498971 Energy: 0.562262465425346 Energy: 0.5726386681616676 Energy: 0.5831858242110008 Energy: 0.5831859850007586 Energy: 0.5835360990879884 Energy: 0.5983887035129247 Energy: 0.5983886955139369 Energy: 0.5698688429449165 Energy: 0.5669476933993187 Energy: 0.5669476386739307 Energy: 0.6073710357863209 Energy: 0.5709227436757596 Energy: 0.5709227428759108 Energy: 0.5974238542378548 Energy: 0.597594799474837 Energy: 0.5975931309314445 Energy: 0.5866146002939516 Energy: 0.5588432434204914 Energy: 0.5588432546496378 Energy: 0.5158748954682514 Energy: 0.5541712176568759 Energy: 0.5541702669867324 minimum gb energy = 0.5158748954682514 eV minimum distance = 2.50176579502465 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5323368460497194 Energy: 0.6001181841042094 Energy: 0.6001182624469967 Energy: 0.5947502587259373 Energy: 0.5016755889459457 Energy: 0.5016755868291837 Energy: 0.6869337247022708 Energy: 0.6001182671874844 Energy: 0.6001182055644307 Energy: 0.5016755792825247 Energy: 0.5619916068029209 Energy: 0.5619873863289765 Energy: 0.5919779050730053 Energy: 0.5987425287308302 Energy: 0.5987420392903536 Energy: 0.501675644891559 Energy: 0.5756349705489594 Energy: 0.5756361452145928 Energy: 0.5982473165425571 Energy: 0.6001181706739364 Energy: 0.6001182237979727 Energy: 0.5669203907349546 Energy: 0.5756345946544862 Energy: 0.575636032950287 Energy: 0.5016755803213656 Energy: 0.6001182913674216 Energy: 0.6001181779031605 Energy: 0.5146068290191146 Energy: 0.5016755783301394 Energy: 0.5016755964665601 minimum gb energy = 0.5016755783301394 eV minimum distance = 2.60940631236548 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.6222015195773983 Energy: 0.5674415330018966 Energy: 0.5674414670766974 Energy: 0.5746677167557219 Energy: 0.5522468413307198 Energy: 0.5522473615506682 Energy: 0.6225637192899811 Energy: 0.5791712425807376 Energy: 0.5791671819916399 Energy: 0.5882719706628812 Energy: 0.5770649830721689 Energy: 0.5770651652953749 Energy: 0.603667574264704 Energy: 0.5527381071742119 Energy: 0.5527380876612312 Energy: 0.6154017221663232 Energy: 0.5915574872066169 Energy: 0.5915574894424975 Energy: 0.5813442347753001 Energy: 0.5723006696901679 Energy: 0.5722999080646783 Energy: 0.5674652350872084 Energy: 0.5816241770411201 Energy: 0.5816249049933193 Energy: 0.6340788482651667 Energy: 0.5856288367333984 Energy: 0.5856288160825057 Energy: 0.5556068601774592 Energy: 0.5770652650269724 Energy: 0.5770653784494827 minimum gb energy = 0.5522468413307198 eV minimum distance = 2.49888806835448 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5990476536261373 Energy: 0.593968255644942 Energy: 0.5939677600301679 Energy: 0.5510324902997722 Energy: 0.554962270236033 Energy: 0.5549617690034406 Energy: 0.6331464585057056 Energy: 0.5976159163101844 Energy: 0.5976159319137764 Energy: 0.5510339196095558 Energy: 0.5939691496951223 Energy: 0.5939690785612838 Energy: 0.5803551120036926 Energy: 0.5939676526718902 Energy: 0.5939689302538499 Energy: 0.6469906168651218 Energy: 0.6479296326601911 Energy: 0.6479295855898746 Energy: 0.5637474730539211 Energy: 0.5728174139364999 Energy: 0.5728159789103526 Energy: 0.5510343409935143 Energy: 0.593967651998514 Energy: 0.5939682272499105 Energy: 0.5367410396978152 Energy: 0.5767851728315191 Energy: 0.5767849879496633 Energy: 0.6295080657379565 Energy: 0.6063997795522422 Energy: 0.6063997797938232 minimum gb energy = 0.5367410396978152 eV minimum distance = 2.49610493384786 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5786220496591906 Energy: 0.5752135022944456 Energy: 0.5752134619681356 Energy: 0.5154488062017586 Energy: 0.5429631186339606 Energy: 0.5429631105131754 Energy: 0.5526947253811554 Energy: 0.5488329828287845 Energy: 0.5488332273090847 Energy: 0.5668883771032622 Energy: 0.5339831283316875 Energy: 0.5339835939502199 Energy: 0.6946281612211488 Energy: 0.5786220490144786 Energy: 0.5786220495330732 Energy: 0.6588413448238608 Energy: 0.5828191085178318 Energy: 0.5828187692391051 Energy: 0.5154488759957709 Energy: 0.5488333152626961 Energy: 0.5488332667880831 Energy: 0.5555912463148567 Energy: 0.5744782551847905 Energy: 0.5744790535049062 Energy: 0.5786220492620457 Energy: 0.5752134973589035 Energy: 0.575213491384189 Energy: 0.5154487852989678 Energy: 0.6227566402814448 Energy: 0.6227538717941035 minimum gb energy = 0.5154487852989678 eV minimum distance = 2.61550929511014 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.592467865881055 Energy: 0.5511211268163921 Energy: 0.5511211256015107 Energy: 0.668088168820782 Energy: 0.6036209450643749 Energy: 0.6036209241444134 Energy: 0.5512653134032162 Energy: 0.5764490701983754 Energy: 0.5764489871561248 Energy: 0.5439805176060245 Energy: 0.6212847112158673 Energy: 0.6212847108650325 Energy: 0.7076901873684659 Energy: 0.6227928130499271 Energy: 0.6227943128397885 Energy: 0.5439804664030965 Energy: 0.6387323604396287 Energy: 0.6387324890829167 Energy: 0.551265407837302 Energy: 0.5651673770683162 Energy: 0.5651673651146603 Energy: 0.6065993488071136 Energy: 0.5731958343888105 Energy: 0.5730324735947648 Energy: 0.5924675295042042 Energy: 0.5511211237513741 Energy: 0.5511211241143771 Energy: 0.6646300742179998 Energy: 0.5624967078355699 Energy: 0.5624967043921046 minimum gb energy = 0.5439804664030965 eV minimum distance = 2.56251401519603 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.6048890632845835 Energy: 0.6004848444884872 Energy: 0.6004834265373413 Energy: 0.5533647731052219 Energy: 0.5664048957156943 Energy: 0.5664046360426033 Energy: 0.547623401055736 Energy: 0.5774905302578309 Energy: 0.5774906379041949 Energy: 0.544757826839041 Energy: 0.5972798631079904 Energy: 0.5972747547327003 Energy: 0.6801485178402518 Energy: 0.6048860585827546 Energy: 0.604885793606823 Energy: 0.5447578188100918 Energy: 0.5972751512475625 Energy: 0.5972760272917443 Energy: 0.5476236563628076 Energy: 0.5774905562150879 Energy: 0.5774920696768995 Energy: 0.553364959429841 Energy: 0.5664057789988662 Energy: 0.5664044084174137 Energy: 0.604888071298666 Energy: 0.6004840641463455 Energy: 0.6004848543555472 Energy: 0.5533659146273182 Energy: 0.5664054454745695 Energy: 0.5664051451957025 minimum gb energy = 0.5447578188100918 eV minimum distance = 2.50564190863414 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.4812218475345433 Energy: 0.4812222420568229 Energy: 0.48122184661406664 Energy: 0.593817180775194 Energy: 0.48701090100013245 Energy: 0.48701089967191685 Energy: 0.4925576465862969 Energy: 0.5326170173254415 Energy: 0.5326170248159904 Energy: 0.5913315228592395 Energy: 0.4870108997985825 Energy: 0.4870109010233094 Energy: 0.48122184676850954 Energy: 0.481221848947706 Energy: 0.4812218789593807 Energy: 0.5931399266509304 Energy: 0.48701090054607465 Energy: 0.4870109010078581 Energy: 0.4925576475253503 Energy: 0.532617060108115 Energy: 0.5326170215958322 Energy: 0.591331003856262 Energy: 0.5115790756686042 Energy: 0.5115790753797701 Energy: 0.4812218639102972 Energy: 0.4812218474696829 Energy: 0.48122184662797285 Energy: 0.5931403647821423 Energy: 0.5115790763651422 Energy: 0.5115790754430852 minimum gb energy = 0.48122184661406664 eV minimum distance = 2.59052431653411 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5773473789983713 Energy: 0.5755159536997907 Energy: 0.5755141660091339 Energy: 0.6910435344892247 Energy: 0.5781636197862503 Energy: 0.5781633995588221 Energy: 0.5640610559906146 Energy: 0.5830872337310088 Energy: 0.5830880374011481 Energy: 0.5640610688292711 Energy: 0.5709789747393511 Energy: 0.5709793354762016 Energy: 0.5650016470722155 Energy: 0.6222797944576381 Energy: 0.6222797385387066 Energy: 0.5658932543514803 Energy: 0.580185021154597 Energy: 0.5801986849120819 Energy: 0.7147671522263732 Energy: 0.593398663757066 Energy: 0.5933989637646495 Energy: 0.5709801833639876 Energy: 0.6219057390052242 Energy: 0.6219057453291165 Energy: 0.6921754335532975 Energy: 0.5766564917212837 Energy: 0.5766565292171895 Energy: 0.5658926928868535 Energy: 0.5739240111783157 Energy: 0.5739198224011607 minimum gb energy = 0.5640610559906146 eV minimum distance = 2.49748871759577 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5884603037270346 Energy: 0.5914189427665855 Energy: 0.5914192981400622 Energy: 0.5278703310771623 Energy: 0.5890188593082448 Energy: 0.5890200236383104 Energy: 0.5190617338160742 Energy: 0.5671420190771347 Energy: 0.5671420071579547 Energy: 0.532400251734613 Energy: 0.6231798644393982 Energy: 0.6231798642103318 Energy: 0.5800316957202251 Energy: 0.5884646944782763 Energy: 0.5884607239460217 Energy: 0.6438178888959132 Energy: 0.5818421263640039 Energy: 0.5818427204215092 Energy: 0.7238312078074453 Energy: 0.5190617345608818 Energy: 0.5190617345650563 Energy: 0.6458820612415318 Energy: 0.5147523382307666 Energy: 0.5147523481278733 Energy: 0.6773106036513387 Energy: 0.5899094539411094 Energy: 0.5899073445909576 Energy: 0.6426476250751317 Energy: 0.584854505915632 Energy: 0.5848495080364715 minimum gb energy = 0.5147523382307666 eV minimum distance = 2.56869037601376 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5374663403585033 Energy: 0.6243938552164149 Energy: 0.6243936755856269 Energy: 0.696179382391335 Energy: 0.5495507626776877 Energy: 0.5495605060305725 Energy: 0.6179917988352798 Energy: 0.625293771807191 Energy: 0.6252919533037914 Energy: 0.5457355812658734 Energy: 0.6281024426271395 Energy: 0.6281008398148794 Energy: 0.6173519797509447 Energy: 0.6198336091561397 Energy: 0.6198337334141837 Energy: 0.5457355812830297 Energy: 0.5629836917061745 Energy: 0.5629828672495805 Energy: 0.7151237278749247 Energy: 0.6421258442898019 Energy: 0.6421258214316579 Energy: 0.5457355812635858 Energy: 0.5859178154154229 Energy: 0.5859180526025176 Energy: 0.663210858020619 Energy: 0.5563197526926337 Energy: 0.5563199696081915 Energy: 0.5457355812836017 Energy: 0.556319533755797 Energy: 0.5563196053335013 minimum gb energy = 0.5374663403585033 eV minimum distance = 2.56339425423033 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.589977113893866 Energy: 0.5948158422072644 Energy: 0.5948155218095128 Energy: 0.5691405032574104 Energy: 0.5825729638881921 Energy: 0.5825744590088145 Energy: 0.5743475156935315 Energy: 0.6121893784428097 Energy: 0.6121900209897811 Energy: 0.5303925166278888 Energy: 0.5948140931739159 Energy: 0.59481380457539 Energy: 0.6060612395447991 Energy: 0.5717317558073696 Energy: 0.5717347366066634 Energy: 0.5395095245482429 Energy: 0.5802608100446462 Energy: 0.5802607280971415 Energy: 0.53670654565955 Energy: 0.6128324811719803 Energy: 0.6128312344463215 Energy: 0.5710255719755207 Energy: 0.5768554833529779 Energy: 0.5768544383022823 Energy: 0.5609260524940055 Energy: 0.5681095773169635 Energy: 0.5681076765486808 Energy: 0.5367056578117694 Energy: 0.6139348076510465 Energy: 0.6139263153124722 minimum gb energy = 0.5303925166278888 eV minimum distance = 2.5628649048075 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5720989263393517 Energy: 0.5823564185728382 Energy: 0.5823564185728382 Energy: 0.5554294615796734 Energy: 0.581697861095161 Energy: 0.5816966331908975 Energy: 0.5798990522195911 Energy: 0.588460349388008 Energy: 0.5884603449930149 Energy: 0.5455756715559492 Energy: 0.6001523212206719 Energy: 0.6001523212197646 Energy: 0.6970569077237879 Energy: 0.5262135554587518 Energy: 0.526213486899438 Energy: 0.6336475508032634 Energy: 0.5867986781845642 Energy: 0.5867989688581198 Energy: 0.6013524612244382 Energy: 0.5332710460512988 Energy: 0.5332712850715918 Energy: 0.5932927758954979 Energy: 0.5806900180095237 Energy: 0.5806900180068016 Energy: 0.5996988442732929 Energy: 0.59659727621104 Energy: 0.5965971420090934 Energy: 0.5508149589105877 Energy: 0.6017269052785641 Energy: 0.6017269073762747 minimum gb energy = 0.526213486899438 eV minimum distance = 2.49667227156348 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.547725828387984 Energy: 0.5528707098455699 Energy: 0.5528707099372445 Energy: 0.5404005833693644 Energy: 0.611304801532529 Energy: 0.6113048079699578 Energy: 0.6596904938976377 Energy: 0.5919943824941882 Energy: 0.5919947136062692 Energy: 0.5672006525448582 Energy: 0.6125350219365938 Energy: 0.6125363494700498 Energy: 0.5550912138980975 Energy: 0.651994149065132 Energy: 0.6519943057847718 Energy: 0.5550917022963364 Energy: 0.6022375325923035 Energy: 0.6022362795614755 Energy: 0.5747830300597869 Energy: 0.5409503068475585 Energy: 0.540950336206555 Energy: 0.7030302180368461 Energy: 0.5458245124134702 Energy: 0.5458269339002987 Energy: 0.5747829582452496 Energy: 0.5851051103348166 Energy: 0.5851062087190575 Energy: 0.5551973844607513 Energy: 0.6030389994487464 Energy: 0.6030363734275374 minimum gb energy = 0.5404005833693644 eV minimum distance = 2.48963207326325 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5450487192588053 Energy: 0.5554943010170534 Energy: 0.5554942229456945 Energy: 0.5856624613270607 Energy: 0.5418052682995622 Energy: 0.5418052677191941 Energy: 0.607356472248822 Energy: 0.5875913471727209 Energy: 0.5875871702326724 Energy: 0.5522958849610571 Energy: 0.5926929604395863 Energy: 0.5926927634694149 Energy: 0.545048806323055 Energy: 0.5875867885122252 Energy: 0.5875900909748464 Energy: 0.6204876618359306 Energy: 0.5543816050628403 Energy: 0.5543807796727516 Energy: 0.5461566475830717 Energy: 0.5914439821111718 Energy: 0.5914439775938896 Energy: 0.5461566477459456 Energy: 0.583339380190201 Energy: 0.5833394946788173 Energy: 0.6902447150768387 Energy: 0.5708350073482505 Energy: 0.5708350069807997 Energy: 0.552296608372274 Energy: 0.6086733291539289 Energy: 0.608671343290913 minimum gb energy = 0.5418052677191941 eV minimum distance = 2.49774328486331 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5542607989383439 Energy: 0.5630375465631847 Energy: 0.5630375365625211 Energy: 0.5630480227029103 Energy: 0.5989811225100257 Energy: 0.5989817908833048 Energy: 0.6488220834125081 Energy: 0.5507687915886289 Energy: 0.5507675885010852 Energy: 0.5555937515456714 Energy: 0.6093749339218565 Energy: 0.6093766803893368 Energy: 0.5650168993460072 Energy: 0.6419795565035689 Energy: 0.6419795246182483 Energy: 0.6011618426963573 Energy: 0.6004652098430603 Energy: 0.6004652807946917 Energy: 0.5525025355348849 Energy: 0.6142930323525051 Energy: 0.6142944617107938 Energy: 0.5650175347108144 Energy: 0.6649941816987286 Energy: 0.6649941819635169 Energy: 0.5829593700448735 Energy: 0.596011655850952 Energy: 0.5960106073550868 Energy: 0.6628780894191892 Energy: 0.6098134492350297 Energy: 0.6098134089448565 minimum gb energy = 0.5507675885010852 eV minimum distance = 2.49617098838596 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5591200558644737 Energy: 0.5616616547257595 Energy: 0.5616616407299366 Energy: 0.5783957271297001 Energy: 0.5868688517926957 Energy: 0.5868675404205174 Energy: 0.5897890052296513 Energy: 0.569389721808981 Energy: 0.5693896841141266 Energy: 0.5629987780029346 Energy: 0.582854795725394 Energy: 0.5828596500519275 Energy: 0.6878923401567627 Energy: 0.5492865454607843 Energy: 0.5492868832941283 Energy: 0.5968536605150202 Energy: 0.5620513251832481 Energy: 0.5620513091078314 Energy: 0.5673143852321418 Energy: 0.5625599136228459 Energy: 0.5625599870259129 Energy: 0.5693173942849616 Energy: 0.5449684546840216 Energy: 0.544972483767735 Energy: 0.5706134317670998 Energy: 0.6249876118988371 Energy: 0.6250077514091845 Energy: 0.5427392248535533 Energy: 0.5631968818998953 Energy: 0.5631982987859958 minimum gb energy = 0.5427392248535533 eV minimum distance = 2.55073497765419 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5573973113225414 Energy: 0.5624132708792248 Energy: 0.5624133842368293 Energy: 0.6266024298971876 Energy: 0.5575238419446173 Energy: 0.5575229894749165 Energy: 0.553849556646222 Energy: 0.5852349488172713 Energy: 0.5852351017399615 Energy: 0.6896565509697963 Energy: 0.5555241092420646 Energy: 0.5555234558292849 Energy: 0.5804052670782611 Energy: 0.5859590356876125 Energy: 0.5859585569754266 Energy: 0.6244664542906482 Energy: 0.5457472593369437 Energy: 0.5457465886847697 Energy: 0.5650158583250956 Energy: 0.5995142428147068 Energy: 0.5995140892387784 Energy: 0.568446831198967 Energy: 0.5503169434253954 Energy: 0.5503141983511121 Energy: 0.5696372294441285 Energy: 0.563227163007273 Energy: 0.563227035098212 Energy: 0.6019302886463169 Energy: 0.5600920083337956 Energy: 0.5600918316404158 minimum gb energy = 0.5457465886847697 eV minimum distance = 2.55595878487975 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5541675911507222 Energy: 0.5621507923584957 Energy: 0.5621506988414828 Energy: 0.5587975554109751 Energy: 0.5812076998823965 Energy: 0.5812078348240025 Energy: 0.5639787171081023 Energy: 0.5842918703575698 Energy: 0.584291870273765 Energy: 0.5696779884165548 Energy: 0.5832617159076982 Energy: 0.5832608999862481 Energy: 0.5695671038990846 Energy: 0.5879173454167151 Energy: 0.5879173687950828 Energy: 0.5865146089006564 Energy: 0.5825740738025618 Energy: 0.5825740748971774 Energy: 0.6232338514505593 Energy: 0.5530578217383618 Energy: 0.553057282235482 Energy: 0.6307777039947713 Energy: 0.5493156360479261 Energy: 0.5493185619755132 Energy: 0.5726983484942593 Energy: 0.5493137042611947 Energy: 0.549317349232571 Energy: 0.6101540125930311 Energy: 0.558066028010669 Energy: 0.5580666627153 minimum gb energy = 0.5493137042611947 eV minimum distance = 2.55035045346764 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5229939334628841 Energy: 0.5550574833207997 Energy: 0.5550574840280418 Energy: 0.5080412708573834 Energy: 0.5229939335168423 Energy: 0.5229939334628841 Energy: 0.5846690229911036 Energy: 0.523287841999986 Energy: 0.5232878420074105 Energy: 0.5229939334628841 Energy: 0.5080465883175604 Energy: 0.5080465883208383 Energy: 0.5229939335836632 Energy: 0.5229939385179443 Energy: 0.5229939372596234 Energy: 0.5229939334609226 Energy: 0.523287842184755 Energy: 0.5232878420530503 Energy: 0.5080518235330729 Energy: 0.5414896010170831 Energy: 0.5414896008740057 Energy: 0.5229939334700853 Energy: 0.5229939338944751 Energy: 0.5229939334596065 Energy: 0.522993933459383 Energy: 0.522993933466162 Energy: 0.5229939334617916 Energy: 0.5432377071736088 Energy: 0.5414896008344744 Energy: 0.5414896008436618 minimum gb energy = 0.5080412708573834 eV minimum distance = 2.60922476443863 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5316802477887823 Energy: 0.5553054920853492 Energy: 0.5553054918796613 Energy: 0.5246817549539442 Energy: 0.5860923702857918 Energy: 0.5860923702987257 Energy: 0.5221944794582862 Energy: 0.5519291616018628 Energy: 0.5519281092927283 Energy: 0.5226245055872878 Energy: 0.5639942044333288 Energy: 0.5639969484417876 Energy: 0.5764814255505545 Energy: 0.5501751073683109 Energy: 0.5501758618887009 Energy: 0.6225627333969385 Energy: 0.5220084044866299 Energy: 0.522007413911904 Energy: 0.5220678687871915 Energy: 0.532436964225091 Energy: 0.5324382568306917 Energy: 0.5325018236649164 Energy: 0.5271845643618412 Energy: 0.5271816749603816 Energy: 0.5318521367498273 Energy: 0.5611225900955678 Energy: 0.5611145567220157 Energy: 0.5332426494155755 Energy: 0.6098419870614518 Energy: 0.6098376380937909 minimum gb energy = 0.522007413911904 eV minimum distance = 2.58265046241552 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.533486247178906 Energy: 0.5499045010243295 Energy: 0.549904505576251 Energy: 0.5252777409112139 Energy: 0.5185153494088078 Energy: 0.5185153494474966 Energy: 0.5623420352232544 Energy: 0.5192326905043356 Energy: 0.5192298782092764 Energy: 0.5215805305451212 Energy: 0.582167654273239 Energy: 0.5821676579988566 Energy: 0.5206657732108618 Energy: 0.5801735066113961 Energy: 0.580173532835607 Energy: 0.5620520680420146 Energy: 0.5433306715804902 Energy: 0.5433306715970369 Energy: 0.5185957894733699 Energy: 0.5629997971559001 Energy: 0.5629996685961292 Energy: 0.5262586608058964 Energy: 0.6150252764919736 Energy: 0.6150331266130743 Energy: 0.5597582858457556 Energy: 0.5283861749965464 Energy: 0.5283846186344805 Energy: 0.5558690910928091 Energy: 0.522211074877526 Energy: 0.5222106241033053 minimum gb energy = 0.5185153494088078 eV minimum distance = 2.57743961638177 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.524140662864513 Energy: 0.5536082644868401 Energy: 0.5536081106298603 Energy: 0.5285778114757856 Energy: 0.5433193483297913 Energy: 0.5433188516125199 Energy: 0.5285654929612241 Energy: 0.5498213308162334 Energy: 0.5498231758017573 Energy: 0.5176442197229222 Energy: 0.5561796270867219 Energy: 0.5561796270871118 Energy: 0.5238435909457868 Energy: 0.5552738399204235 Energy: 0.5552713283553706 Energy: 0.5842598483045965 Energy: 0.5149542015712365 Energy: 0.5149562237983651 Energy: 0.5145254024510196 Energy: 0.5613977458490329 Energy: 0.5613998380179719 Energy: 0.5150590554563013 Energy: 0.5877851450602561 Energy: 0.5877884242190049 Energy: 0.5268373035564492 Energy: 0.5176442092962115 Energy: 0.5176442092973812 Energy: 0.511645034340306 Energy: 0.5291748335965785 Energy: 0.529173344332268 minimum gb energy = 0.511645034340306 eV minimum distance = 2.55216595522794 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5187332867890934 Energy: 0.5520940027167626 Energy: 0.5520945611101117 Energy: 0.5130718389327745 Energy: 0.5804536114005341 Energy: 0.5804540627830325 Energy: 0.5028356493683982 Energy: 0.5121521083174448 Energy: 0.512152898118225 Energy: 0.5130718383464486 Energy: 0.521840620634746 Energy: 0.5218406206300001 Energy: 0.5766089041784949 Energy: 0.5626868725717137 Energy: 0.5626868739758544 Energy: 0.641858499227547 Energy: 0.5042255333047333 Energy: 0.5042255379374418 Energy: 0.5766379149999349 Energy: 0.5055422941484552 Energy: 0.5055394585485099 Energy: 0.502943928741411 Energy: 0.562686879463395 Energy: 0.5626868823324014 Energy: 0.5271539721969332 Energy: 0.5094831328193362 Energy: 0.5094828032922194 Energy: 0.5076110281374662 Energy: 0.5771624561409907 Energy: 0.5771615344646738 minimum gb energy = 0.5028356493683982 eV minimum distance = 2.58271434139258 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5128587193606169 Energy: 0.527927148742349 Energy: 0.5279286605545883 Energy: 0.5652343464878231 Energy: 0.5040840146526275 Energy: 0.5040829059071632 Energy: 0.507079671439391 Energy: 0.6675595833945093 Energy: 0.6675595829650125 Energy: 0.6347677685223869 Energy: 0.5054522843565804 Energy: 0.5054521250022075 Energy: 0.512162865877416 Energy: 0.6061734112353788 Energy: 0.6061734102812629 Energy: 0.6811572682160815 Energy: 0.5200299171047503 Energy: 0.5200292591495117 Energy: 0.5121637951844444 Energy: 0.6061734279712899 Energy: 0.6061734165820087 Energy: 0.5983161941702563 Energy: 0.5383013792849065 Energy: 0.5383020608474534 Energy: 0.505452091705451 Energy: 0.6045072114435179 Energy: 0.6045120077901667 Energy: 0.6164286978514979 Energy: 0.5025375362967558 Energy: 0.5025377016865072 minimum gb energy = 0.5025375362967558 eV minimum distance = 2.58144643275657 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5241274035892163 Energy: 0.5219697485683428 Energy: 0.5219694502257615 Energy: 0.5273764968275515 Energy: 0.5117752887529533 Energy: 0.5117766453620083 Energy: 0.5044685640153809 Energy: 0.5077766434995628 Energy: 0.5077767804585334 Energy: 0.5062799597562548 Energy: 0.5892011484737298 Energy: 0.5892011557924315 Energy: 0.5641848853881998 Energy: 0.5334956994715074 Energy: 0.5334969161773185 Energy: 0.5038668121808557 Energy: 0.5978474467392744 Energy: 0.5978540982415206 Energy: 0.5859932619998941 Energy: 0.5460323314136879 Energy: 0.5460322748596861 Energy: 0.4959181207716036 Energy: 0.5917662727324389 Energy: 0.5917662780114054 Energy: 0.49683445591771525 Energy: 0.5616463906613275 Energy: 0.5616473421119169 Energy: 0.5147474544789534 Energy: 0.5211344113190304 Energy: 0.5211344033243073 minimum gb energy = 0.4959181207716036 eV minimum distance = 2.55606345951033 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5021647405741125 Energy: 0.5021648235896182 Energy: 0.5021648381578855 Energy: 0.4757416686478366 Energy: 0.5223239112642953 Energy: 0.5223239127166789 Energy: 0.4789444268288997 Energy: 0.6380598949211718 Energy: 0.638059934998309 Energy: 0.4757418357090881 Energy: 0.5924439486975484 Energy: 0.5924439634592902 Energy: 0.502164766588923 Energy: 0.5017803981968402 Energy: 0.5017805897015466 Energy: 0.5494134030074219 Energy: 0.47782687723113304 Energy: 0.4778268736688491 Energy: 0.5265620512614059 Energy: 0.4778270570053594 Energy: 0.4778268798586672 Energy: 0.5021647582933942 Energy: 0.4778268800630354 Energy: 0.47782687611126917 Energy: 0.4757420440267983 Energy: 0.5474783063788085 Energy: 0.5474783531868418 Energy: 0.4789443932724243 Energy: 0.638059892793693 Energy: 0.6380605682243814 minimum gb energy = 0.4757416686478366 eV minimum distance = 2.49820571077321 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5350314782389868 Energy: 0.512580948149765 Energy: 0.5125815379166092 Energy: 0.48702473120482637 Energy: 0.5266012735861909 Energy: 0.5266006322416127 Energy: 0.48885276292033214 Energy: 0.5626565751168018 Energy: 0.5626564838910113 Energy: 0.5443948461613698 Energy: 0.6102494246532268 Energy: 0.6102494359161046 Energy: 0.5722887971761731 Energy: 0.4856206224409984 Energy: 0.48562009141671364 Energy: 0.5238071011567587 Energy: 0.5296344724960992 Energy: 0.5296331446834385 Energy: 0.5294895458862171 Energy: 0.49180498839753356 Energy: 0.4918038474246923 Energy: 0.48459152167578606 Energy: 0.5924321964133138 Energy: 0.5924314978981349 Energy: 0.48940476205015204 Energy: 0.5901553849292065 Energy: 0.5901551965110553 Energy: 0.4849905687319258 Energy: 0.6139652750492178 Energy: 0.6139499736386141 minimum gb energy = 0.48459152167578606 eV minimum distance = 2.55876102864406 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.5033089585226981 Energy: 0.4930435860941201 Energy: 0.493043773292045 Energy: 0.48351387568844706 Energy: 0.5527305343418086 Energy: 0.5527315567167738 Energy: 0.5153067191814662 Energy: 0.4905316917498286 Energy: 0.49053184980595704 Energy: 0.512313240985422 Energy: 0.48313618798950403 Energy: 0.4831361878357733 Energy: 0.4879615508812087 Energy: 0.5500233746016859 Energy: 0.5500231060478882 Energy: 0.4869311513143839 Energy: 0.506974097951031 Energy: 0.5069751199217291 Energy: 0.4839336468610536 Energy: 0.4985780236676452 Energy: 0.49857638504486496 Energy: 0.5701918663988074 Energy: 0.5014233868740432 Energy: 0.5014234939746157 Energy: 0.49185633528364375 Energy: 0.4918914527689115 Energy: 0.4918916386286019 Energy: 0.48351422684632683 Energy: 0.5585255300564204 Energy: 0.5585256351793515 minimum gb energy = 0.4831361878357733 eV minimum distance = 2.48019078891442 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5242743089342946 Energy: 0.4966972791360932 Energy: 0.4966972790525582 Energy: 0.5907343414261076 Energy: 0.516392091460735 Energy: 0.5163935587349666 Energy: 0.4805754892848726 Energy: 0.5681549315242077 Energy: 0.5681544079003767 Energy: 0.5337374198857311 Energy: 0.4754684000281698 Energy: 0.4754658752527946 Energy: 0.4727941393730032 Energy: 0.6381095632599975 Energy: 0.6381101619142922 Energy: 0.5999071282581465 Energy: 0.5198782821034675 Energy: 0.5198779422503867 Energy: 0.4805353411531366 Energy: 0.5739397470869495 Energy: 0.573939793911669 Energy: 0.6221332430812785 Energy: 0.533784776130306 Energy: 0.5337827762186368 Energy: 0.47866859898163555 Energy: 0.5739398030548706 Energy: 0.5739397862136032 Energy: 0.6115114325353194 Energy: 0.5340574493676415 Energy: 0.5340573762086077 minimum gb energy = 0.4727941393730032 eV minimum distance = 2.48151609167754 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.49389689605173576 Energy: 0.48696943425671085 Energy: 0.48696943436997914 Energy: 0.47586460912500445 Energy: 0.5816007932595775 Energy: 0.5816007637808818 Energy: 0.4779615909461831 Energy: 0.4786608370156799 Energy: 0.47866085547535775 Energy: 0.5063695230300872 Energy: 0.4866369180607831 Energy: 0.4866369180490666 Energy: 0.472658015852843 Energy: 0.47536402280854284 Energy: 0.475362054093665 Energy: 0.4773637489936584 Energy: 0.6162642119587229 Energy: 0.6162638454236874 Energy: 0.47496292653862027 Energy: 0.5086571449067061 Energy: 0.5086569856552143 Energy: 0.47228147760026296 Energy: 0.6113345504743318 Energy: 0.6113349223442633 Energy: 0.5000109931898953 Energy: 0.4882671769598005 Energy: 0.48826691926613264 Energy: 0.5705186156614918 Energy: 0.5466387772742454 Energy: 0.5466387152816715 minimum gb energy = 0.47228147760026296 eV minimum distance = 2.50184427802403 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.44005212034282915 Energy: 0.4400521188893792 Energy: 0.4400521219547724 Energy: 0.4485288086547383 Energy: 0.5927512601314401 Energy: 0.5927512763618736 Energy: 0.4619241596544892 Energy: 0.4531699908815663 Energy: 0.45317001968781834 Energy: 0.4485287953867362 Energy: 0.4531700124178269 Energy: 0.45316999105900113 Energy: 0.44852879615071295 Energy: 0.4531700581372098 Energy: 0.4531699983018891 Energy: 0.647470803746201 Energy: 0.4485287944073798 Energy: 0.4485287942272347 Energy: 0.4485287945130523 Energy: 0.4743234877289665 Energy: 0.47432348744992486 Energy: 0.44005211888395845 Energy: 0.5131902608643971 Energy: 0.5131903042498394 Energy: 0.6114869977889408 Energy: 0.4531700029778705 Energy: 0.45316999412303927 Energy: 0.4485287984439984 Energy: 0.4531701443053211 Energy: 0.4531699903966312 minimum gb energy = 0.44005211888395845 eV minimum distance = 2.59912307467379 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5410380815637771 Energy: 0.4605237179458078 Energy: 0.46052371772620254 Energy: 0.4477813081368375 Energy: 0.5951040051909604 Energy: 0.593870009216194 Energy: 0.45424474597468034 Energy: 0.5206930496929827 Energy: 0.5206955678680956 Energy: 0.44991604159275644 Energy: 0.5712520107117475 Energy: 0.5712528512854674 Energy: 0.4457536695990536 Energy: 0.45207148466477876 Energy: 0.4520701632716864 Energy: 0.44395616834712315 Energy: 0.6025812032115659 Energy: 0.6025809329794345 Energy: 0.44357380577035244 Energy: 0.4929266305122974 Energy: 0.49292469281775364 Energy: 0.5987189122976619 Energy: 0.49376259439338066 Energy: 0.4937620923076131 Energy: 0.5385954872605312 Energy: 0.5364746264370366 Energy: 0.5364737274233752 Energy: 0.5453618180195189 Energy: 0.4911672880048521 Energy: 0.49116743950437636 minimum gb energy = 0.44357380577035244 eV minimum distance = 2.50811521329439 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.49283607113338956 Energy: 0.45885495371900453 Energy: 0.45885448669471657 Energy: 0.46140456863979173 Energy: 0.48013240206640667 Energy: 0.4801323842515156 Energy: 0.47201700020254983 Energy: 0.49699083230895486 Energy: 0.4969908321965104 Energy: 0.43671286791761466 Energy: 0.5571097810519299 Energy: 0.5571085909722662 Energy: 0.5702342000502432 Energy: 0.44168498108642096 Energy: 0.44168498108481985 Energy: 0.47176433323705236 Energy: 0.6068611384984617 Energy: 0.6068611317850197 Energy: 0.43987853099199997 Energy: 0.5226487941229556 Energy: 0.522648909781912 Energy: 0.6261926722932009 Energy: 0.4433985268796104 Energy: 0.4433995991817226 Energy: 0.44379268616551226 Energy: 0.4466731991510151 Energy: 0.4466731131498044 Energy: 0.4368007442577067 Energy: 0.5411701101387351 Energy: 0.5411701929902826 minimum gb energy = 0.43671286791761466 eV minimum distance = 2.5070909194432 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.4515050959534266 Energy: 0.434171300968151 Energy: 0.4341712950022255 Energy: 0.431016464519137 Energy: 0.5060970212016375 Energy: 0.5060965424777247 Energy: 0.4340227682395746 Energy: 0.44076280204552576 Energy: 0.4407636884093931 Energy: 0.43417129622913436 Energy: 0.4418624513699492 Energy: 0.44186330821085845 Energy: 0.5156629737116231 Energy: 0.5225072523176536 Energy: 0.5225072520070858 Energy: 0.43101646454864734 Energy: 0.4407634662576346 Energy: 0.44076256935746994 Energy: 0.43715154832539127 Energy: 0.4628206196873075 Energy: 0.46282166075093156 Energy: 0.5945002627729843 Energy: 0.5225073342455845 Energy: 0.5225072759479326 Energy: 0.4362549787322945 Energy: 0.4341343319578005 Energy: 0.43413431920614276 Energy: 0.43715156316406695 Energy: 0.5913176851111717 Energy: 0.5913181320121591 minimum gb energy = 0.431016464519137 eV minimum distance = 2.51420811785019 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5323358547549525 Energy: 0.42944126516902686 Energy: 0.42944104655199755 Energy: 0.42395182673014753 Energy: 0.43233569297017577 Energy: 0.43233491556060516 Energy: 0.4221991187589686 Energy: 0.6064843952914494 Energy: 0.6064846291222061 Energy: 0.4235985153880714 Energy: 0.430399714113203 Energy: 0.43039836422493166 Energy: 0.4325735728733504 Energy: 0.47653734082577826 Energy: 0.4765373561324497 Energy: 0.5272731015045401 Energy: 0.48075151242598807 Energy: 0.48075296090004743 Energy: 0.42611798450955746 Energy: 0.5823074848535306 Energy: 0.5823072679187363 Energy: 0.6166000546247583 Energy: 0.42612671398180346 Energy: 0.42612607106457023 Energy: 0.428387023672307 Energy: 0.5157458917509433 Energy: 0.5157456072936957 Energy: 0.42220148604568253 Energy: 0.5044754168715182 Energy: 0.5044746457289438 minimum gb energy = 0.4221991187589686 eV minimum distance = 2.56872564490005 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5098413087979304 Energy: 0.43769646608722723 Energy: 0.43769746017288297 Energy: 0.4285779328140606 Energy: 0.5046777006129076 Energy: 0.5046792876352585 Energy: 0.5039781447751919 Energy: 0.4684999428162686 Energy: 0.4684999238980452 Energy: 0.4291468183615102 Energy: 0.5210680242923333 Energy: 0.521067960208171 Energy: 0.4861664019639115 Energy: 0.46012199188313163 Energy: 0.4601234530086245 Energy: 0.4254621410736728 Energy: 0.6282636273028323 Energy: 0.6282635960771847 Energy: 0.4256544139044339 Energy: 0.5696010098624759 Energy: 0.5696022256334026 Energy: 0.6134112683352964 Energy: 0.4656840274970316 Energy: 0.4656839228985178 Energy: 0.4278159816097443 Energy: 0.5510403865316682 Energy: 0.5510386801421623 Energy: 0.5039779459686922 Energy: 0.5325785862732334 Energy: 0.5325764346713202 minimum gb energy = 0.4254621410736728 eV minimum distance = 2.48830315959174 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4851446712681232 Energy: 0.42706910435182316 Energy: 0.42706910331936104 Energy: 0.46405469216228024 Energy: 0.569845843706698 Energy: 0.5698458424749706 Energy: 0.4050860494311554 Energy: 0.6591275584347395 Energy: 0.6591274938159862 Energy: 0.39958160405269405 Energy: 0.6439150120119295 Energy: 0.6439810696051834 Energy: 0.4055642492956753 Energy: 0.5489688955806619 Energy: 0.5489688945208374 Energy: 0.4050860466600072 Energy: 0.4138326964144945 Energy: 0.41383271182242626 Energy: 0.4640546942213411 Energy: 0.5503760444940683 Energy: 0.5503760444911368 Energy: 0.4851446712622821 Energy: 0.5235074733206747 Energy: 0.5235074092352652 Energy: 0.4640546921603258 Energy: 0.5868711244093487 Energy: 0.5868703969048817 Energy: 0.40508604665805287 Energy: 0.4748202886584069 Energy: 0.4748197313375739 minimum gb energy = 0.39958160405269405 eV minimum distance = 2.52077804947623 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4907608874372355 Energy: 0.40772476486104875 Energy: 0.4077250606047309 Energy: 0.3987742315209804 Energy: 0.5234702978426629 Energy: 0.5234715970009945 Energy: 0.548954435178797 Energy: 0.44383550025472873 Energy: 0.44383510954495464 Energy: 0.3945528418019651 Energy: 0.5122510168872352 Energy: 0.5122498543071281 Energy: 0.4033237021818602 Energy: 0.506165268979591 Energy: 0.5061662505010903 Energy: 0.4119955885331394 Energy: 0.4282942295059345 Energy: 0.42829437387828895 Energy: 0.3968339883125266 Energy: 0.4834833765950938 Energy: 0.48348333780828456 Energy: 0.6112018615209748 Energy: 0.4394954290089409 Energy: 0.4394944274744731 Energy: 0.39818989722084447 Energy: 0.5566519843550464 Energy: 0.5566485454051748 Energy: 0.39909591704713027 Energy: 0.4142716497552503 Energy: 0.4142703424752472 minimum gb energy = 0.3945528418019651 eV minimum distance = 2.57606518517059 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.54053292174623 Energy: 0.540405374541287 Energy: 0.5404069098253519 Energy: 0.3882334018071099 Energy: 0.48634591677638334 Energy: 0.4863461999941255 Energy: 0.5483407671847477 Energy: 0.529913189797987 Energy: 0.5299130476601 Energy: 0.42412359464094757 Energy: 0.5324307531999241 Energy: 0.5324295649297842 Energy: 0.42412440438033705 Energy: 0.6318189322270819 Energy: 0.6318179138969917 Energy: 0.38833845880647583 Energy: 0.5394481363498763 Energy: 0.5394510353300752 Energy: 0.5467715608266451 Energy: 0.4148971913270157 Energy: 0.4148971908789554 Energy: 0.542102190171445 Energy: 0.5598096183555076 Energy: 0.5598096183452225 Energy: 0.3882335316530038 Energy: 0.4107735247858181 Energy: 0.41077260493685147 Energy: 0.38833845970045383 Energy: 0.5643008856789306 Energy: 0.5643003965091392 minimum gb energy = 0.3882334018071099 eV minimum distance = 2.51183443723014 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5371139101753091 Energy: 0.6351214532334949 Energy: 0.6351214544138543 Energy: 0.38891268456755124 Energy: 0.46330806640727873 Energy: 0.4633071447089809 Energy: 0.39186955498106923 Energy: 0.6368204754088188 Energy: 0.6368207552685661 Energy: 0.5508544475266727 Energy: 0.3870347123129774 Energy: 0.38703418675529827 Energy: 0.39008819760610947 Energy: 0.5251516892295742 Energy: 0.5251526697828804 Energy: 0.5638588236437464 Energy: 0.42380384574444935 Energy: 0.4238038457625619 Energy: 0.3888175135427465 Energy: 0.4463705089158754 Energy: 0.44637078486725373 Energy: 0.6012624538045664 Energy: 0.42380383823467693 Energy: 0.4238040878955649 Energy: 0.38881750201947274 Energy: 0.5121164841505432 Energy: 0.5121144999452909 Energy: 0.45629791634352945 Energy: 0.42315801427805305 Energy: 0.4231580084695629 minimum gb energy = 0.38703418675529827 eV minimum distance = 2.51333585865152 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4478547798753495 Energy: 0.5065574767180543 Energy: 0.5065578174074072 Energy: 0.42296364502542655 Energy: 0.5289351174411757 Energy: 0.5289351174457195 Energy: 0.42458992476974716 Energy: 0.38068164755377537 Energy: 0.3806805809459615 Energy: 0.3741941973009408 Energy: 0.5752721760517451 Energy: 0.5752708352829277 Energy: 0.37419418460961046 Energy: 0.5039903258947491 Energy: 0.5039903644035256 Energy: 0.3682165690268423 Energy: 0.561966377168896 Energy: 0.5619663771734744 Energy: 0.42296330054221937 Energy: 0.37419419819108035 Energy: 0.3741942550599778 Energy: 0.44785327125638297 Energy: 0.6079677621742989 Energy: 0.6084058434548774 Energy: 0.42296352391493974 Energy: 0.5395093081886824 Energy: 0.5395132089949538 Energy: 0.41332945155901196 Energy: 0.5150575526179265 Energy: 0.5150575526179265 minimum gb energy = 0.3682165690268423 eV minimum distance = 2.51234391610987 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.46420634898363766 Energy: 0.5891946811130779 Energy: 0.5891946934519725 Energy: 0.3534185155110812 Energy: 0.5372812954455055 Energy: 0.5372859946054964 Energy: 0.3562702028346187 Energy: 0.45336796523941425 Energy: 0.4533674091869438 Energy: 0.5399201008498921 Energy: 0.40978327432864253 Energy: 0.40978315981865476 Energy: 0.4453042082260472 Energy: 0.49388358319720166 Energy: 0.4938835683395038 Energy: 0.3638183674215023 Energy: 0.5251475053296135 Energy: 0.5251474786158232 Energy: 0.3624584808283341 Energy: 0.44040804351603174 Energy: 0.44040866304088616 Energy: 0.537850771796576 Energy: 0.455709560120981 Energy: 0.45570956041926325 Energy: 0.39740018791613724 Energy: 0.3579323621010996 Energy: 0.3579323531951068 Energy: 0.3536133357884334 Energy: 0.5319102200600306 Energy: 0.5319102999694704 minimum gb energy = 0.3534185155110812 eV minimum distance = 2.51110864010246 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5016218444353701 Energy: 0.5635280730343182 Energy: 0.5635280859510755 Energy: 0.4280304289334328 Energy: 0.34718825155727845 Energy: 0.34718827396713997 Energy: 0.34268446813381565 Energy: 0.4666427537775596 Energy: 0.4666427537781852 Energy: 0.34097080377385103 Energy: 0.3544725581373095 Energy: 0.35447260096098215 Energy: 0.3426843202463719 Energy: 0.46664275314348025 Energy: 0.46664275323476173 Energy: 0.34268431606292143 Energy: 0.4278258826918969 Energy: 0.42782588176893016 Energy: 0.34136136873724604 Energy: 0.42782591837309164 Energy: 0.42782692431364133 Energy: 0.5016213821051213 Energy: 0.5406641969016426 Energy: 0.5406628695040022 Energy: 0.49479442783459493 Energy: 0.42782592749538256 Energy: 0.42782591771523926 Energy: 0.3426842866506323 Energy: 0.5800308320629121 Energy: 0.5800309206855504 minimum gb energy = 0.34097080377385103 eV minimum distance = 2.61893784883978 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.4870237208191339 Energy: 0.5484455007686787 Energy: 0.5484867139379596 Energy: 0.39980915020904007 Energy: 0.41390524648643867 Energy: 0.4139048324992592 Energy: 0.33125246014278936 Energy: 0.48380995893939377 Energy: 0.4838105537613508 Energy: 0.34031822141518603 Energy: 0.45325290142177277 Energy: 0.4532536029448288 Energy: 0.5474766998449624 Energy: 0.37040656638052494 Energy: 0.37040679352972866 Energy: 0.33522750450301325 Energy: 0.545780927668713 Energy: 0.545782050560528 Energy: 0.3276493508643586 Energy: 0.47977841388956977 Energy: 0.4797779164489896 Energy: 0.5481749998674551 Energy: 0.4138519096303989 Energy: 0.4138519042245755 Energy: 0.33446131312381316 Energy: 0.5087321629375482 Energy: 0.5087317725579996 Energy: 0.3273096179699042 Energy: 0.4802988317011366 Energy: 0.48029856326305187 minimum gb energy = 0.3273096179699042 eV minimum distance = 2.51593581052731 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4590919868708386 Energy: 0.5221333788460782 Energy: 0.5221331059413936 Energy: 0.3254884867634777 Energy: 0.43784015800116904 Energy: 0.43783911741811044 Energy: 0.3183643006757146 Energy: 0.44948417044036093 Energy: 0.4494841319165841 Energy: 0.3783262827687977 Energy: 0.4497779854252522 Energy: 0.44977804943270977 Energy: 0.31836428986744175 Energy: 0.4497780520210139 Energy: 0.44977823521370514 Energy: 0.31836424200751967 Energy: 0.4378409914282593 Energy: 0.43783965138994635 Energy: 0.3254884812340503 Energy: 0.5239359439484725 Energy: 0.5239340103929228 Energy: 0.45909196707548156 Energy: 0.4417264592662706 Energy: 0.44172690286542615 Energy: 0.39634264331314806 Energy: 0.4539694627510736 Energy: 0.4539696740178213 Energy: 0.35010308794036543 Energy: 0.3175493821943849 Energy: 0.31754950611283 minimum gb energy = 0.3175493821943849 eV minimum distance = 2.58775084029725 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5049915481650583 Energy: 0.5130753081498112 Energy: 0.5130753081719654 Energy: 0.31105048438873356 Energy: 0.5477923917067143 Energy: 0.5477923926958292 Energy: 0.3115393991518903 Energy: 0.5099550067989562 Energy: 0.5099550057950718 Energy: 0.37521772390629626 Energy: 0.5164836650850922 Energy: 0.5164836582202768 Energy: 0.3752174675019728 Energy: 0.4114655846671259 Energy: 0.4114609061884411 Energy: 0.3098637745560577 Energy: 0.43948774527918777 Energy: 0.4394879028917867 Energy: 0.3083617795819985 Energy: 0.43039211854167225 Energy: 0.430392023489921 Energy: 0.5486718958275636 Energy: 0.40757178977008407 Energy: 0.40757175758423964 Energy: 0.3832621165216003 Energy: 0.43300799461660594 Energy: 0.4330080077261382 Energy: 0.3078809406791257 Energy: 0.48146826555222844 Energy: 0.4814698867226004 minimum gb energy = 0.3078809406791257 eV minimum distance = 2.52113094270549 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4673682818629437 Energy: 0.4988311717683368 Energy: 0.49883115724805444 Energy: 0.3457827112659942 Energy: 0.4921488286248915 Energy: 0.49214885669008157 Energy: 0.31718147510484085 Energy: 0.47465488180497906 Energy: 0.474654881797165 Energy: 0.2898342161781579 Energy: 0.44317153588261504 Energy: 0.44317227106939827 Energy: 0.368082565372177 Energy: 0.4479780502291296 Energy: 0.44797804944992053 Energy: 0.3171816355424496 Energy: 0.3653765539442708 Energy: 0.3653765001593737 Energy: 0.4346215309250256 Energy: 0.4969900693463729 Energy: 0.4969899380389185 Energy: 0.4673682367859036 Energy: 0.4157068696983982 Energy: 0.4160962744190854 Energy: 0.3457827088304828 Energy: 0.47685742146815074 Energy: 0.4768574906164096 Energy: 0.3042340344968801 Energy: 0.49214882982405234 Energy: 0.4921488308049636 minimum gb energy = 0.2898342161781579 eV minimum distance = 2.59641866499973 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4496271942294454 Energy: 0.4666712376673257 Energy: 0.466669593274049 Energy: 0.46566012736030754 Energy: 0.33427797397159387 Energy: 0.3342777018142824 Energy: 0.27905387370364076 Energy: 0.3961591465718464 Energy: 0.39615951798540006 Energy: 0.2790538649424676 Energy: 0.46683099935871414 Energy: 0.4668311673557797 Energy: 0.27182113104328537 Energy: 0.39171349645045783 Energy: 0.391713378365046 Energy: 0.2853325944791292 Energy: 0.4586614076177311 Energy: 0.4586614076169196 Energy: 0.4277119474666654 Energy: 0.3846872890741341 Energy: 0.3846877385161356 Energy: 0.4901451414027853 Energy: 0.4739264991441288 Energy: 0.47368017515710603 Energy: 0.37850198851768146 Energy: 0.4736664582427745 Energy: 0.4736664114375579 Energy: 0.3320140824416521 Energy: 0.3780196385009719 Energy: 0.3780196442551035 minimum gb energy = 0.27182113104328537 eV minimum distance = 2.52318015878916 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4818714422949113 Energy: 0.44716473703353393 Energy: 0.44716559253587923 Energy: 0.4006995164236485 Energy: 0.4290889999911579 Energy: 0.42908762265385686 Energy: 0.28359298748552064 Energy: 0.34021029346516174 Energy: 0.3402103600096719 Energy: 0.27052823325563924 Energy: 0.43917841655572876 Energy: 0.439185209638018 Energy: 0.26194548888544616 Energy: 0.4435231363199132 Energy: 0.44352311233432373 Energy: 0.3333331899899977 Energy: 0.359065489437602 Energy: 0.3590659414346676 Energy: 0.3045758068647223 Energy: 0.44453537249299396 Energy: 0.4445354066530344 Energy: 0.4819160708741979 Energy: 0.4434823837690469 Energy: 0.4434822820342769 Energy: 0.48890705943590773 Energy: 0.3099609721890051 Energy: 0.3099608221562902 Energy: 0.2733137984969421 Energy: 0.45330362569282195 Energy: 0.4533039611442012 minimum gb energy = 0.26194548888544616 eV minimum distance = 2.61632698920737 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.43691690422044827 Energy: 0.42081756892902855 Energy: 0.4208175653457335 Energy: 0.33402473926819737 Energy: 0.4766071632731082 Energy: 0.4766071659713361 Energy: 0.25418062334741004 Energy: 0.4575860666925555 Energy: 0.4575860819199458 Energy: 0.2541808282038757 Energy: 0.42157033131346716 Energy: 0.42157034062467375 Energy: 0.25418064152371916 Energy: 0.4202612865667155 Energy: 0.4202678470872927 Energy: 0.2541806234998564 Energy: 0.4296316057903305 Energy: 0.4296315867683956 Energy: 0.3340245928307588 Energy: 0.42029909245934843 Energy: 0.42026465740724245 Energy: 0.46145494230240763 Energy: 0.34822046434494747 Energy: 0.34822072886394456 Energy: 0.334024757579503 Energy: 0.4214048549555611 Energy: 0.42029584435304007 Energy: 0.24742354672739522 Energy: 0.414672266924294 Energy: 0.41467226693579773 minimum gb energy = 0.24742354672739522 eV minimum distance = 2.56656533868913 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.41465804026012093 Energy: 0.40234686424066846 Energy: 0.40238428388925773 Energy: 0.3204603167187135 Energy: 0.3930834565438882 Energy: 0.39308345675121187 Energy: 0.3410014345045205 Energy: 0.24722794337241022 Energy: 0.2472279435098256 Energy: 0.23590084363878402 Energy: 0.4027661543883603 Energy: 0.4027661562236035 Energy: 0.2475255998730607 Energy: 0.39786844065321425 Energy: 0.3978684425310518 Energy: 0.24075682438697094 Energy: 0.3928258762626956 Energy: 0.3928065462035784 Energy: 0.5483124653668993 Energy: 0.24368028936845415 Energy: 0.24368041621279327 Energy: 0.46118536443595565 Energy: 0.40265925758762433 Energy: 0.4026592575921266 Energy: 0.320460587612612 Energy: 0.4388627379302168 Energy: 0.4388657072427187 Energy: 0.24046089682609925 Energy: 0.40265925752552 Energy: 0.40265925759512816 minimum gb energy = 0.23590084363878402 eV minimum distance = 2.61942235768947 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.4418497720668269 Energy: 0.38463552188196504 Energy: 0.3846356796694954 Energy: 0.4529007863139722 Energy: 0.29847474460803736 Energy: 0.2984746973543463 Energy: 0.23478473443973058 Energy: 0.38125692489128954 Energy: 0.3812569017885342 Energy: 0.22344129652109793 Energy: 0.3577145461276242 Energy: 0.3577143142160424 Energy: 0.23478487701232295 Energy: 0.38610324421336134 Energy: 0.3861032113779527 Energy: 0.22927752037632693 Energy: 0.36522331533928665 Energy: 0.3652234263725606 Energy: 0.30145291497706034 Energy: 0.3910073001079801 Energy: 0.39100717930805745 Energy: 0.43885181425347375 Energy: 0.377243919003216 Energy: 0.3772442123603537 Energy: 0.36827576586429267 Energy: 0.3860675717227351 Energy: 0.38606825063090355 Energy: 0.23178687533135278 Energy: 0.38530349773846073 Energy: 0.38529939987684575 minimum gb energy = 0.22344129652109793 eV minimum distance = 2.6176991193191 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4215489127282901 Energy: 0.37044114944346745 Energy: 0.3704411495219136 Energy: 0.2912450929700831 Energy: 0.3708695687606307 Energy: 0.3702976028763499 Energy: 0.2572489811161142 Energy: 0.3555865365537106 Energy: 0.35558653801777396 Energy: 0.21431750287411583 Energy: 0.35086924901636724 Energy: 0.3508687993672072 Energy: 0.21993719961588049 Energy: 0.37121975394477913 Energy: 0.3711570341591308 Energy: 0.22412726386954762 Energy: 0.40968376472908313 Energy: 0.40968382465528475 Energy: 0.2912451182227921 Energy: 0.36565590301736856 Energy: 0.3656559152497024 Energy: 0.46211975170078395 Energy: 0.35558654972344483 Energy: 0.35558655072301626 Energy: 0.43042475538627484 Energy: 0.2831747167561507 Energy: 0.28317471788862003 Energy: 0.27767592474859715 Energy: 0.3439147355204476 Energy: 0.3439147320388739 minimum gb energy = 0.21431750287411583 eV minimum distance = 2.56858079873772 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.40360600729025625 Energy: 0.3558085008763553 Energy: 0.35580849450194285 Energy: 0.2821788860139568 Energy: 0.3553459331425008 Energy: 0.3553465367932591 Energy: 0.2149265168171688 Energy: 0.3563019396115102 Energy: 0.35630176735884456 Energy: 0.21169441249855792 Energy: 0.3500475645415054 Energy: 0.3500482280829649 Energy: 0.2092708284385906 Energy: 0.338516446344761 Energy: 0.3385171037498138 Energy: 0.38729180217891523 Energy: 0.2720164066822724 Energy: 0.27201640662273846 Energy: 0.37901742155805235 Energy: 0.29845118673949633 Energy: 0.2984510710474876 Energy: 0.44169941019853304 Energy: 0.350940059123803 Energy: 0.3509362631907889 Energy: 0.33708929953911243 Energy: 0.3629029299265424 Energy: 0.36264328874184343 Energy: 0.21941164934165283 Energy: 0.3895729217734104 Energy: 0.38957694960697975 minimum gb energy = 0.2092708284385906 eV minimum distance = 2.62332819091344 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011682622657749313 Energy: 0.011682622661204333 Energy: 0.0116826226591431 Energy: 0.011682622659830177 Energy: 0.19907968019449 Energy: 0.19907968019655123 Energy: 0.011682622660870608 Energy: 0.1990796801962175 Energy: 0.19907968019207542 Energy: 0.011682622659476822 Energy: 0.19907968019413666 Energy: 0.19907968019449 Energy: 0.011682622658789745 Energy: 0.19907968019380293 Energy: 0.19907968019344957 Energy: 0.01168262265845602 Energy: 0.19907968019240913 Energy: 0.19907968019517708 Energy: 0.01168262266018353 Energy: 0.19907968019723832 Energy: 0.19907968019449 Energy: 0.011682622661204333 Energy: 0.01168262265845602 Energy: 0.011682622661557686 Energy: 0.011682622658789745 Energy: 0.19907968019240913 Energy: 0.19907968019344957 Energy: 0.011682622659830177 Energy: 0.19907968019413666 Energy: 0.19907968019413666 minimum gb energy = 0.011682622657749313 eV minimum distance = 2.83997959967418 Angstroms sigma value = 1