model_name=EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_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=4.050010219216347 cohesive_energy=3.3902685453001857 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010417682374193974 Energy: 0.010417682370307307 Energy: 0.010417682370779259 Energy: 0.01041768237225064 Energy: 0.010417682371278972 Energy: 0.010417682371750926 Energy: 0.010417682371278972 Energy: 0.010417682370779259 Energy: 0.010417682371278972 Energy: 0.010417682370307307 Energy: 0.010417682375193402 Energy: 0.010417682370779259 Energy: 0.010417682370779259 Energy: 0.010417682370307307 Energy: 0.010417682373722023 Energy: 0.010417682375193402 Energy: 0.010417682373222307 Energy: 0.010417682371750926 Energy: 0.010417682370307307 Energy: 0.010417682371750926 Energy: 0.010417682371750926 Energy: 0.01041768237225064 Energy: 0.010417682369307877 Energy: 0.010417682374693689 Energy: 0.010417682370779259 Energy: 0.010417682370779259 Energy: 0.010417682371278972 Energy: 0.010417682371278972 Energy: 0.010417682374193974 Energy: 0.010417682370779259 minimum gb energy = 0.010417682369307877 eV minimum distance = 2.86366990089942 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.43743391406185933 Energy: 0.4174744673105552 Energy: 0.41747405235039403 Energy: 0.3957169664610944 Energy: 0.4172303854693276 Energy: 0.41722926220537426 Energy: 0.3979190979304972 Energy: 0.420527960989623 Energy: 0.4205231169832985 Energy: 0.40374064308390806 Energy: 0.3941096123724223 Energy: 0.39410981258344074 Energy: 0.4030408758423325 Energy: 0.4172301668863587 Energy: 0.4172297763323477 Energy: 0.3667778422165621 Energy: 0.42377834377353835 Energy: 0.42377826928450285 Energy: 0.3976992344714547 Energy: 0.4172310663998488 Energy: 0.4172304298425587 Energy: 0.40365732983657904 Energy: 0.39617552454537663 Energy: 0.39617372428545444 Energy: 0.4030506181030642 Energy: 0.4541219846510758 Energy: 0.45411651225705996 Energy: 0.4007375789377511 Energy: 0.4237783340279851 Energy: 0.42378122343617514 minimum gb energy = 0.3667778422165621 eV minimum distance = 2.60268668367613 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.45331961399556986 Energy: 0.43504841991244014 Energy: 0.4352847017689215 Energy: 0.37487257726014506 Energy: 0.43427678205599807 Energy: 0.4342765224648118 Energy: 0.40477865525254686 Energy: 0.4350550672759005 Energy: 0.4350536929628812 Energy: 0.40804464259334344 Energy: 0.4342782574446102 Energy: 0.4342825174263418 Energy: 0.3905042675901133 Energy: 0.4350494892881468 Energy: 0.4350547686698123 Energy: 0.4202543898869629 Energy: 0.43472256817791083 Energy: 0.4347201835632603 Energy: 0.3880185492751663 Energy: 0.4350464551781137 Energy: 0.4350503904730908 Energy: 0.4047267915418122 Energy: 0.4347207089745418 Energy: 0.4347213683211472 Energy: 0.4090637426385826 Energy: 0.43505248729261065 Energy: 0.4350482274009788 Energy: 0.3933352680430621 Energy: 0.4425248407228761 Energy: 0.4425233085275566 minimum gb energy = 0.37487257726014506 eV minimum distance = 2.59913003251616 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.4707305622127513 Energy: 0.4476033903988654 Energy: 0.4476037352035396 Energy: 0.41620685704608423 Energy: 0.4471286336174367 Energy: 0.44712863626161325 Energy: 0.43660569316618997 Energy: 0.4260910027197181 Energy: 0.4260834312172173 Energy: 0.4257410057942724 Energy: 0.5089887378474212 Energy: 0.5089809704058691 Energy: 0.43196142050047975 Energy: 0.45032382475750904 Energy: 0.45033096389914357 Energy: 0.39384104393422814 Energy: 0.45523592524661743 Energy: 0.4552413045517298 Energy: 0.4250489253898783 Energy: 0.4322416036459015 Energy: 0.43223906520811706 Energy: 0.43196386765535555 Energy: 0.5556502631887357 Energy: 0.5556502813813449 Energy: 0.4404261203253807 Energy: 0.4284734698585073 Energy: 0.42845562357353534 Energy: 0.4211303370211658 Energy: 0.4552306463510217 Energy: 0.45523514507472507 minimum gb energy = 0.39384104393422814 eV minimum distance = 2.59967046659807 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.4895502211165234 Energy: 0.46897015977853784 Energy: 0.46896207269216095 Energy: 0.44473172779661574 Energy: 0.5105482568133842 Energy: 0.5105485063684179 Energy: 0.44061280771187633 Energy: 0.4644691703244703 Energy: 0.46446921987921636 Energy: 0.44249509886679544 Energy: 0.46848044432990715 Energy: 0.4684797585958275 Energy: 0.45218694994130787 Energy: 0.5277084348024127 Energy: 0.5277045771371489 Energy: 0.4525818707115932 Energy: 0.46818153355434133 Energy: 0.46818152835267063 Energy: 0.4522318633577155 Energy: 0.52099370799163 Energy: 0.5209907733918622 Energy: 0.43219141684105783 Energy: 0.4684818989963203 Energy: 0.4684803669615636 Energy: 0.4487814837949264 Energy: 0.46149447911564795 Energy: 0.4614945034063113 Energy: 0.4483274667937246 Energy: 0.4796565281523951 Energy: 0.47965898203386803 minimum gb energy = 0.43219141684105783 eV minimum distance = 2.5928538675034 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.5102287181882603 Energy: 0.49291632450189266 Energy: 0.49331265254679735 Energy: 0.47436157220665864 Energy: 0.48801222951756057 Energy: 0.4880086359542943 Energy: 0.4563719987623145 Energy: 0.4828834372476992 Energy: 0.48288508102395467 Energy: 0.455502360731259 Energy: 0.49390168107047416 Energy: 0.4938901287924791 Energy: 0.4714568790219277 Energy: 0.4717615194073865 Energy: 0.47176399248298323 Energy: 0.42681427597733873 Energy: 0.4929170825039948 Energy: 0.4929209159086069 Energy: 0.4714562268960728 Energy: 0.45922816802181643 Energy: 0.4592282128260206 Energy: 0.471446698718361 Energy: 0.46056471408732313 Energy: 0.4605583161513443 Energy: 0.44273318359574426 Energy: 0.48288161299271715 Energy: 0.48288648933943656 Energy: 0.47145239457125665 Energy: 0.4672798049104378 Energy: 0.46727965997111653 minimum gb energy = 0.42681427597733873 eV minimum distance = 2.58878575991807 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.5291838577189797 Energy: 0.50965505582562 Energy: 0.5096601390577933 Energy: 0.48199318842943994 Energy: 0.5086584759605826 Energy: 0.5086578707034541 Energy: 0.48922025234745975 Energy: 0.5151247435215619 Energy: 0.5151246641035643 Energy: 0.48039598996692157 Energy: 0.5042873754426963 Energy: 0.5043060802850033 Energy: 0.49083840903421033 Energy: 0.4843265328681174 Energy: 0.48435937351976543 Energy: 0.4908070684136798 Energy: 0.5215243415154837 Energy: 0.521524660841695 Energy: 0.47835276627704804 Energy: 0.5204973614815936 Energy: 0.5204970556871827 Energy: 0.4810570152347716 Energy: 0.5070962389758452 Energy: 0.5071158677230878 Energy: 0.48922997524473183 Energy: 0.48619868715100356 Energy: 0.4862045561082249 Energy: 0.4908023884491333 Energy: 0.5036381238497171 Energy: 0.5036211426512465 minimum gb energy = 0.47835276627704804 eV minimum distance = 2.56987570602917 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.5395937220667493 Energy: 0.5408197891138105 Energy: 0.5408202227750374 Energy: 0.5186342081315481 Energy: 0.5408156683526469 Energy: 0.5408188343557748 Energy: 0.48277006455869875 Energy: 0.5408185395528873 Energy: 0.5408172389558883 Energy: 0.46632312391768377 Energy: 0.5408181016632253 Energy: 0.5408130252627465 Energy: 0.4864147624346566 Energy: 0.5401743444208954 Energy: 0.5401777782513968 Energy: 0.4755793682882751 Energy: 0.5401736067675059 Energy: 0.5401818116428563 Energy: 0.5031785841407634 Energy: 0.5401744649988882 Energy: 0.5401769805199126 Energy: 0.4827702399594343 Energy: 0.5401788056481893 Energy: 0.5401736773826455 Energy: 0.5103579604041639 Energy: 0.5401765982431332 Energy: 0.5401735771399611 Energy: 0.5194688428653524 Energy: 0.5401739652146145 Energy: 0.5401783782351884 minimum gb energy = 0.46632312391768377 eV minimum distance = 2.58049285073373 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.5585866790377135 Energy: 0.5669710958634414 Energy: 0.5669733520088338 Energy: 0.5333012979243923 Energy: 0.5225791402854633 Energy: 0.5225725358087884 Energy: 0.5382166747362408 Energy: 0.5270744794655803 Energy: 0.527077874843846 Energy: 0.5445529106318117 Energy: 0.5352623607906312 Energy: 0.5352634993335765 Energy: 0.5378860579620808 Energy: 0.5396699183303068 Energy: 0.5396722156739306 Energy: 0.5378834617374344 Energy: 0.5428797242861392 Energy: 0.5428994988785624 Energy: 0.5445549971191933 Energy: 0.5396671804975576 Energy: 0.53966753300372 Energy: 0.5445517451427322 Energy: 0.5270903202068515 Energy: 0.5270705401830209 Energy: 0.5333013602848244 Energy: 0.5225552166258369 Energy: 0.5225541736041791 Energy: 0.5463042153159908 Energy: 0.563416636608399 Energy: 0.5634189506568965 minimum gb energy = 0.5225541736041791 eV minimum distance = 2.55520072560573 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5857080064330238 Energy: 0.5852734773258635 Energy: 0.585278307668456 Energy: 0.553406669219418 Energy: 0.5409592285233363 Energy: 0.54094971654331 Energy: 0.5544458121542192 Energy: 0.5491129657410704 Energy: 0.5490858102233509 Energy: 0.5209951153685155 Energy: 0.5838577814330007 Energy: 0.5838514083861317 Energy: 0.5500545625465441 Energy: 0.5496227927718392 Energy: 0.5496243680579009 Energy: 0.5381458098998778 Energy: 0.5431340478534716 Energy: 0.5431421729304807 Energy: 0.5414900599950937 Energy: 0.5838556122098869 Energy: 0.5838582346129935 Energy: 0.5465145927146113 Energy: 0.5535077894268956 Energy: 0.5535101395206697 Energy: 0.5007474792944884 Energy: 0.5900257016205261 Energy: 0.5900249179061945 Energy: 0.5589630435444216 Energy: 0.5534711625219668 Energy: 0.5534282249258963 minimum gb energy = 0.5007474792944884 eV minimum distance = 2.60226115861833 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.5895216336254661 Energy: 0.5973373757170628 Energy: 0.597337048093794 Energy: 0.5680175897946895 Energy: 0.5496254663772271 Energy: 0.549629752864233 Energy: 0.5569931975258142 Energy: 0.5845223797525597 Energy: 0.5845258916000938 Energy: 0.5359856449280397 Energy: 0.5845223646595568 Energy: 0.5845224105788069 Energy: 0.5519250200628799 Energy: 0.5946488032192848 Energy: 0.5946696293791028 Energy: 0.5239714549864942 Energy: 0.5959760218187294 Energy: 0.5959741185204166 Energy: 0.5420561761224507 Energy: 0.5946425389021444 Energy: 0.5946414259150486 Energy: 0.5084425096016337 Energy: 0.5959739831379723 Energy: 0.5959737049102087 Energy: 0.5569961847863135 Energy: 0.5612696353144792 Energy: 0.5612526050117296 Energy: 0.5680172075018087 Energy: 0.5845222072116233 Energy: 0.5845221862663994 minimum gb energy = 0.5084425096016337 eV minimum distance = 2.5482112864634 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.6138498552160605 Energy: 0.5771381948246309 Energy: 0.5771083292287191 Energy: 0.5247445077746167 Energy: 0.5805220731645075 Energy: 0.5805565596241032 Energy: 0.5486083686961183 Energy: 0.6232931890242968 Energy: 0.6232981722056307 Energy: 0.5389978653784122 Energy: 0.5805415732624268 Energy: 0.5805492361200081 Energy: 0.5773920483383524 Energy: 0.5771607269888697 Energy: 0.5771270193201341 Energy: 0.5699371104138298 Energy: 0.5774131448942902 Energy: 0.5773893287791896 Energy: 0.5572624910451869 Energy: 0.5739951154881606 Energy: 0.573996674941412 Energy: 0.573985862016359 Energy: 0.5690395361131935 Energy: 0.5690366941843404 Energy: 0.5635026598741711 Energy: 0.5833704047193653 Energy: 0.5833726344298378 Energy: 0.5593340878870106 Energy: 0.614905908567466 Energy: 0.6149329071274783 minimum gb energy = 0.5247445077746167 eV minimum distance = 2.56618489501017 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5827877412932736 Energy: 0.6353955285471451 Energy: 0.6353955546570607 Energy: 0.5707183661558289 Energy: 0.5705991236967156 Energy: 0.5705993642597319 Energy: 0.5961497991438687 Energy: 0.5785513944692332 Energy: 0.5785528292369064 Energy: 0.5893712676853097 Energy: 0.634700702257645 Energy: 0.6347009017059341 Energy: 0.5705992085035321 Energy: 0.5706010152541423 Energy: 0.57059969672893 Energy: 0.570599139287658 Energy: 0.5719319103908861 Energy: 0.5719319152910468 Energy: 0.5888503072140412 Energy: 0.6153647689613746 Energy: 0.6153671763812573 Energy: 0.5596305435068474 Energy: 0.57168259911716 Energy: 0.5716823699555083 Energy: 0.5702841208214221 Energy: 0.5706002915770754 Energy: 0.5706026304747982 Energy: 0.5705994465405955 Energy: 0.5716825262054812 Energy: 0.5716819385979854 minimum gb energy = 0.5596305435068474 eV minimum distance = 2.5554683695758 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.6380401636823282 Energy: 0.6138736354163863 Energy: 0.6138819461750515 Energy: 0.5777127993967962 Energy: 0.6493944902551535 Energy: 0.6494074486252985 Energy: 0.6017847773185324 Energy: 0.5963386526245291 Energy: 0.5963258910195003 Energy: 0.6089511199825329 Energy: 0.5925796983089956 Energy: 0.5925584477079472 Energy: 0.5957494419859191 Energy: 0.5963261293889018 Energy: 0.596329248264009 Energy: 0.6011308504238079 Energy: 0.5982079101288581 Energy: 0.5981602880510308 Energy: 0.5927465742335937 Energy: 0.5794257887107855 Energy: 0.5794277075578834 Energy: 0.6012054887357994 Energy: 0.5927609106323335 Energy: 0.5927462683745797 Energy: 0.5957505941489722 Energy: 0.5696405613612381 Energy: 0.5696343872132735 Energy: 0.6091914890838591 Energy: 0.5957504725171264 Energy: 0.5957509817553419 minimum gb energy = 0.5696343872132735 eV minimum distance = 2.54366178858272 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.6088087390962117 Energy: 0.6085342815447449 Energy: 0.6085345651734149 Energy: 0.5600648737619357 Energy: 0.6059738165125695 Energy: 0.6059738164388285 Energy: 0.6375838418041678 Energy: 0.6478936895714952 Energy: 0.6478938508438837 Energy: 0.6088087380320837 Energy: 0.5711944435018612 Energy: 0.5711943952192857 Energy: 0.6088087380282508 Energy: 0.581453345021726 Energy: 0.58145878303459 Energy: 0.581453325150855 Energy: 0.6059738164388285 Energy: 0.6059772961236305 Energy: 0.5540720341824411 Energy: 0.6085345809074891 Energy: 0.6085351094709465 Energy: 0.554063168485613 Energy: 0.581454563572388 Energy: 0.581457613498252 Energy: 0.5967714407765565 Energy: 0.5841974058082529 Energy: 0.5841969653696627 Energy: 0.5967714407727236 Energy: 0.5841973722022878 Energy: 0.5841970007533193 minimum gb energy = 0.554063168485613 eV minimum distance = 2.54635381062077 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.621291208290058 Energy: 0.6262391134000537 Energy: 0.6262374138506634 Energy: 0.6137964124884141 Energy: 0.5930140990401487 Energy: 0.5930173797924244 Energy: 0.6137963283295228 Energy: 0.5929659433918488 Energy: 0.5930125948526584 Energy: 0.6169686736990482 Energy: 0.6262379159847725 Energy: 0.626238017680038 Energy: 0.6138511280697958 Energy: 0.5980345445597088 Energy: 0.5980403203941911 Energy: 0.6138452635833349 Energy: 0.6080674796853164 Energy: 0.6081193012226198 Energy: 0.5941635919988428 Energy: 0.6262372995613638 Energy: 0.6262382853769879 Energy: 0.6168452157576795 Energy: 0.6051887823297488 Energy: 0.6051887823212174 Energy: 0.6138125287146727 Energy: 0.6085506536213859 Energy: 0.6085538154633336 Energy: 0.5754049441589741 Energy: 0.6262372168013579 Energy: 0.626238592516237 minimum gb energy = 0.5754049441589741 eV minimum distance = 2.58697271742311 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.6110239408340294 Energy: 0.6197405632035689 Energy: 0.6197393970127322 Energy: 0.6016889925769784 Energy: 0.6140292734625596 Energy: 0.614029603001356 Energy: 0.5946786450143215 Energy: 0.6387713107763382 Energy: 0.6387814638736421 Energy: 0.6116768941476913 Energy: 0.6030987302443908 Energy: 0.6031335810844349 Energy: 0.5967479931270228 Energy: 0.584390305347342 Energy: 0.5844178653297358 Energy: 0.6548279354150977 Energy: 0.6116669346260701 Energy: 0.6116683574846298 Energy: 0.6256751334360806 Energy: 0.6140303288294301 Energy: 0.6140302456497376 Energy: 0.5923916682380486 Energy: 0.6140293812172688 Energy: 0.6140297406400467 Energy: 0.6396949601120311 Energy: 0.6216742240079737 Energy: 0.6216498381987157 Energy: 0.584382601855372 Energy: 0.6041487711346472 Energy: 0.6041460267904653 minimum gb energy = 0.584382601855372 eV minimum distance = 2.53486391827094 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.6062502810804389 Energy: 0.6175703291607315 Energy: 0.6175594749099607 Energy: 0.6080426059264308 Energy: 0.6217380921342958 Energy: 0.6217435964274516 Energy: 0.6011435112869041 Energy: 0.6263200236579989 Energy: 0.6263415109050622 Energy: 0.6011213286767614 Energy: 0.6008375267391384 Energy: 0.600839111041604 Energy: 0.5966034590336119 Energy: 0.6604344510154534 Energy: 0.6604254575331434 Energy: 0.6208748596225891 Energy: 0.6020435019214416 Energy: 0.6020168317818683 Energy: 0.6269520301220346 Energy: 0.6127807934364297 Energy: 0.612786079782482 Energy: 0.6188584391913371 Energy: 0.6008418162999197 Energy: 0.6008681981521472 Energy: 0.612160677116327 Energy: 0.6185006680813316 Energy: 0.6185519708075796 Energy: 0.5860156510466767 Energy: 0.6207786512903154 Energy: 0.6207657581782451 minimum gb energy = 0.5860156510466767 eV minimum distance = 2.53329806524486 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5904160665242189 Energy: 0.6031788973274949 Energy: 0.6031776798621538 Energy: 0.6347575659383953 Energy: 0.5768277129848615 Energy: 0.5768301560757321 Energy: 0.6971996986373321 Energy: 0.6031776568965699 Energy: 0.6031776418732325 Energy: 0.5768305336576204 Energy: 0.5822534066743112 Energy: 0.5822514113094021 Energy: 0.6344685612624664 Energy: 0.576833359841976 Energy: 0.576827820505453 Energy: 0.5768355201035821 Energy: 0.6138778593356222 Energy: 0.613906475521925 Energy: 0.6408682703201256 Energy: 0.6031776954445933 Energy: 0.6031797497313738 Energy: 0.5768350118909689 Energy: 0.6139182394195812 Energy: 0.6138780717732455 Energy: 0.5768312299374205 Energy: 0.5834259300058439 Energy: 0.5834249644335224 Energy: 0.5822513462268216 Energy: 0.5768295390288701 Energy: 0.576833191729317 minimum gb energy = 0.5768277129848615 eV minimum distance = 2.62074861702817 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.6432606208585162 Energy: 0.6217033621550908 Energy: 0.6216531009294491 Energy: 0.593132426253408 Energy: 0.6135014035594462 Energy: 0.6135059990555631 Energy: 0.6248687668029462 Energy: 0.6380145051522877 Energy: 0.6380314094379003 Energy: 0.6413155612223062 Energy: 0.6234810131233175 Energy: 0.6234498029136339 Energy: 0.6249599530876222 Energy: 0.626092937512949 Energy: 0.6260940220604427 Energy: 0.6483874373629817 Energy: 0.6478546141126359 Energy: 0.6478736127603447 Energy: 0.6158786442659586 Energy: 0.6217127048254216 Energy: 0.6217029803653092 Energy: 0.5931561006586088 Energy: 0.597144092248298 Energy: 0.5972523139127036 Energy: 0.6418954110611657 Energy: 0.6453745468569377 Energy: 0.6453761215127224 Energy: 0.615790460689239 Energy: 0.6234938306556063 Energy: 0.6234744639639741 minimum gb energy = 0.593132426253408 eV minimum distance = 2.59054589980347 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5988195821986794 Energy: 0.6122718839293849 Energy: 0.6122848865458458 Energy: 0.6177701839587779 Energy: 0.6460622065832117 Energy: 0.6460155815555126 Energy: 0.6851367523115833 Energy: 0.6301763250420126 Energy: 0.630100626751814 Energy: 0.6177996936708736 Energy: 0.6122682255890831 Energy: 0.6123331078905664 Energy: 0.598867175363258 Energy: 0.6122804159580083 Energy: 0.612312712473831 Energy: 0.6914054972638225 Energy: 0.7010922350202466 Energy: 0.7010879875090955 Energy: 0.6258204038091513 Energy: 0.6519198010374614 Energy: 0.6519772509669592 Energy: 0.6190114808689738 Energy: 0.612295622781192 Energy: 0.6122628753526242 Energy: 0.5988532836423672 Energy: 0.6460696121765411 Energy: 0.6460075032881908 Energy: 0.6668387774311444 Energy: 0.6042776895895066 Energy: 0.6042860102224986 minimum gb energy = 0.5988195821986794 eV minimum distance = 2.53436939484591 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5972072476013752 Energy: 0.6064341276819006 Energy: 0.6064365829628106 Energy: 0.592241737764909 Energy: 0.6288509532527145 Energy: 0.6288355141788158 Energy: 0.5922444859541756 Energy: 0.6283146392347009 Energy: 0.628313654692365 Energy: 0.6311762964590962 Energy: 0.6238967561662951 Energy: 0.6238967561388082 Energy: 0.7302468659039518 Energy: 0.5972495988646938 Energy: 0.5971919025007165 Energy: 0.7045107779813816 Energy: 0.6497102240269675 Energy: 0.6497043574443523 Energy: 0.5922309444594759 Energy: 0.6283294010383825 Energy: 0.6282978698148997 Energy: 0.622630038540133 Energy: 0.641817493702987 Energy: 0.6418136577194629 Energy: 0.5972274902270599 Energy: 0.6064351122577945 Energy: 0.6064296344606647 Energy: 0.5922700350215367 Energy: 0.6690954863341716 Energy: 0.6691219681112832 minimum gb energy = 0.5922309444594759 eV minimum distance = 2.62119788191045 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5999553253978505 Energy: 0.6014778661010519 Energy: 0.6015255277109041 Energy: 0.6996372094408101 Energy: 0.6419515381041412 Energy: 0.6418821305677128 Energy: 0.6267749083110484 Energy: 0.6338349338612781 Energy: 0.6338677587768169 Energy: 0.587678468065936 Energy: 0.6968998930017565 Energy: 0.6968869750267883 Energy: 0.7178358949821555 Energy: 0.6339241031533503 Energy: 0.6337977458061812 Energy: 0.5876775790346027 Energy: 0.696886834238197 Energy: 0.6968880147270231 Energy: 0.626793194195083 Energy: 0.6338349660539951 Energy: 0.6338343421325402 Energy: 0.6717182221481292 Energy: 0.6418831803292898 Energy: 0.6421008568793398 Energy: 0.5999551962610885 Energy: 0.6014871056502582 Energy: 0.6015328054006912 Energy: 0.7010676724245729 Energy: 0.6373778514146432 Energy: 0.6373881247970278 minimum gb energy = 0.5876775790346027 eV minimum distance = 2.60640145125321 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.6270130257521028 Energy: 0.6364287248990139 Energy: 0.636427914178487 Energy: 0.5957107878743428 Energy: 0.6415495653935165 Energy: 0.6416028972317289 Energy: 0.6193617825428783 Energy: 0.6431927851888016 Energy: 0.6433139771170175 Energy: 0.6223436323380781 Energy: 0.6223677739827931 Energy: 0.6223430763793295 Energy: 0.7142673097627279 Energy: 0.6270351179262733 Energy: 0.6269626089074707 Energy: 0.6223443180859969 Energy: 0.6223691697117939 Energy: 0.6223798018863587 Energy: 0.6193742711433631 Energy: 0.6432784969680292 Energy: 0.6433009770768278 Energy: 0.5957096553489949 Energy: 0.6416291290957524 Energy: 0.6415337909143416 Energy: 0.6271168244549242 Energy: 0.636427475019897 Energy: 0.6364271601348156 Energy: 0.5957070643526988 Energy: 0.64158030257993 Energy: 0.6415323974087309 minimum gb energy = 0.5957070643526988 eV minimum distance = 2.55219429845518 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5633865251507731 Energy: 0.5633701622522864 Energy: 0.5633527555193771 Energy: 0.6481538994681096 Energy: 0.5758353016704483 Energy: 0.5758353017801165 Energy: 0.5633543576014289 Energy: 0.5882175425551238 Energy: 0.5882501839905668 Energy: 0.6613653601306942 Energy: 0.575835301441876 Energy: 0.5758353014727783 Energy: 0.5633527506744808 Energy: 0.5633601234547618 Energy: 0.5633682804533401 Energy: 0.6481555530616195 Energy: 0.5758353014434212 Energy: 0.5758353016488166 Energy: 0.5633550280042595 Energy: 0.5882595043410148 Energy: 0.5882422006573235 Energy: 0.6613597197903621 Energy: 0.6045379520775903 Energy: 0.6045339621476824 Energy: 0.563359840622767 Energy: 0.563352968763883 Energy: 0.5633526481751145 Energy: 0.6481540052494139 Energy: 0.6044960989564767 Energy: 0.604504666269164 minimum gb energy = 0.5633526481751145 eV minimum distance = 2.60188717930979 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.652246469750608 Energy: 0.628128807316191 Energy: 0.6285112643421206 Energy: 0.7347338893150461 Energy: 0.6338992666529162 Energy: 0.6339257686467304 Energy: 0.6229798526347999 Energy: 0.6546092413947213 Energy: 0.6545874894000492 Energy: 0.6308220404215162 Energy: 0.6472669150163841 Energy: 0.6472273305382347 Energy: 0.63130445344436 Energy: 0.6814526419715538 Energy: 0.6814656772305859 Energy: 0.6235157984801275 Energy: 0.649814642184591 Energy: 0.649837003908611 Energy: 0.7581706474537823 Energy: 0.654117110345022 Energy: 0.6539952649614679 Energy: 0.6471624967635039 Energy: 0.6655470197421856 Energy: 0.6655693847534568 Energy: 0.7417973005215116 Energy: 0.6377097874172157 Energy: 0.6377184531195618 Energy: 0.6313355336596789 Energy: 0.6363444093688128 Energy: 0.6363453997735574 minimum gb energy = 0.6229798526347999 eV minimum distance = 2.57020068349419 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.6514960806551837 Energy: 0.6484940579501992 Energy: 0.6484434589646129 Energy: 0.6043243235261864 Energy: 0.6416921701485924 Energy: 0.6417230883289796 Energy: 0.6001906596420372 Energy: 0.6428285700017221 Energy: 0.6428767198348854 Energy: 0.5993142703065689 Energy: 0.6664924937720494 Energy: 0.6664842800718592 Energy: 0.6422517944695028 Energy: 0.651506533277888 Energy: 0.6516859237498381 Energy: 0.6916524218264262 Energy: 0.6455678977013564 Energy: 0.6455072816519527 Energy: 0.7643535496817111 Energy: 0.60010012731787 Energy: 0.6001904863105786 Energy: 0.7060996576933212 Energy: 0.5990171720245876 Energy: 0.5990115210004543 Energy: 0.7117321269893138 Energy: 0.6516325427377642 Energy: 0.6517565765790945 Energy: 0.68416746635532 Energy: 0.6487128153300868 Energy: 0.6487402603437923 minimum gb energy = 0.5990115210004543 eV minimum distance = 2.56154477258227 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.6165098237181693 Energy: 0.6789637540162892 Energy: 0.6788926104334898 Energy: 0.7421811282643026 Energy: 0.6129965684139104 Energy: 0.612909325181407 Energy: 0.6738579012823185 Energy: 0.7071797431491714 Energy: 0.707198781884674 Energy: 0.6127997593977039 Energy: 0.651784855188356 Energy: 0.6517055461256339 Energy: 0.6735561063911063 Energy: 0.6772903036997618 Energy: 0.6772920659474092 Energy: 0.612864438035542 Energy: 0.6456007131102022 Energy: 0.6455708277915142 Energy: 0.7696189046718984 Energy: 0.7034487750127237 Energy: 0.7034444550340534 Energy: 0.6129784319393519 Energy: 0.6566967666719798 Energy: 0.6566867830308138 Energy: 0.6910402544648176 Energy: 0.642022516960693 Energy: 0.6420316799140382 Energy: 0.612878764798607 Energy: 0.6420266457295086 Energy: 0.6420266500955603 minimum gb energy = 0.6127997593977039 eV minimum distance = 2.5576499145778 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.6597409131281164 Energy: 0.6556965768361651 Energy: 0.655647246588623 Energy: 0.6379481352313137 Energy: 0.6526930162618756 Energy: 0.6526869064605713 Energy: 0.6362468444218742 Energy: 0.6363145431426007 Energy: 0.6363278938818542 Energy: 0.6136364184643202 Energy: 0.6556728724989891 Energy: 0.6556958937837566 Energy: 0.6596462724099835 Energy: 0.6503265087294124 Energy: 0.6504711812423409 Energy: 0.6126913308602473 Energy: 0.6358964105148707 Energy: 0.6358964442332758 Energy: 0.6106684881800657 Energy: 0.6817245432925598 Energy: 0.6817266959123476 Energy: 0.6336638835764161 Energy: 0.6499460708445126 Energy: 0.6498636522174763 Energy: 0.6316771762819187 Energy: 0.6358966442786149 Energy: 0.635896644207785 Energy: 0.6106359412273615 Energy: 0.687017113192297 Energy: 0.6870167464280195 minimum gb energy = 0.6106359412273615 eV minimum distance = 2.56199942792777 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.6505959376003984 Energy: 0.6481098800288805 Energy: 0.6481079164686814 Energy: 0.6158877581143617 Energy: 0.64723003483042 Energy: 0.6472300849687108 Energy: 0.6171587220704171 Energy: 0.6589869784800221 Energy: 0.6589869036353714 Energy: 0.6109542843324243 Energy: 0.6447133041450321 Energy: 0.6447005327438928 Energy: 0.7424460898502848 Energy: 0.6110611582310096 Energy: 0.611059918558047 Energy: 0.68147494434075 Energy: 0.642359322541938 Energy: 0.6423597965294436 Energy: 0.6684756584722504 Energy: 0.6120466133097247 Energy: 0.6120713242874325 Energy: 0.6502886801589404 Energy: 0.6830955992335591 Energy: 0.6830965218573912 Energy: 0.6505948311461467 Energy: 0.6620834082614077 Energy: 0.661748640066101 Energy: 0.6106700783142088 Energy: 0.6780424176267833 Energy: 0.6780237904851056 minimum gb energy = 0.6106700783142088 eV minimum distance = 2.55255408730084 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.6285951590221968 Energy: 0.6236508615626234 Energy: 0.6235821668055563 Energy: 0.6126870786804345 Energy: 0.6295730063101812 Energy: 0.6296014700561575 Energy: 0.718203627267655 Energy: 0.6126846558353667 Energy: 0.6126855279073252 Energy: 0.6209402779845113 Energy: 0.6578964201075507 Energy: 0.657890681367912 Energy: 0.6127122016012391 Energy: 0.6261576173507801 Energy: 0.6261533762017001 Energy: 0.6157445065699187 Energy: 0.6785801377364945 Energy: 0.6785810375942076 Energy: 0.6226192794623379 Energy: 0.623697833313077 Energy: 0.6236842926523597 Energy: 0.7517505965826908 Energy: 0.6179477985036342 Energy: 0.6178956531322483 Energy: 0.6226038249751291 Energy: 0.6854771300556656 Energy: 0.6854759141433056 Energy: 0.6126849524591059 Energy: 0.6777399738968446 Energy: 0.677747543879935 minimum gb energy = 0.6126846558353667 eV minimum distance = 2.53115151330506 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.6268066592594973 Energy: 0.6267751013530666 Energy: 0.6268093272150045 Energy: 0.630767991489712 Energy: 0.6236698674703951 Energy: 0.6236633438085781 Energy: 0.6734721543085148 Energy: 0.6299120019320089 Energy: 0.6299097807651817 Energy: 0.6100799215775792 Energy: 0.6248511158964911 Energy: 0.6247962227686573 Energy: 0.6268368655267603 Energy: 0.6493828159056118 Energy: 0.649441263246517 Energy: 0.6915208408112342 Energy: 0.6138375930484301 Energy: 0.6137637723813709 Energy: 0.610078820944743 Energy: 0.684561192073201 Energy: 0.6845611952232212 Energy: 0.6133664622661436 Energy: 0.6773233642639205 Energy: 0.6773233654336298 Energy: 0.7412675302199104 Energy: 0.6297201891934099 Energy: 0.6297101378018931 Energy: 0.6100834788489548 Energy: 0.6516070346550549 Energy: 0.6516007334057045 minimum gb energy = 0.610078820944743 eV minimum distance = 2.5520063660599 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.6557485479790562 Energy: 0.6320521427227523 Energy: 0.6320294227187337 Energy: 0.6208801807315282 Energy: 0.6743867918696352 Energy: 0.6743858697146763 Energy: 0.6667040684133357 Energy: 0.6218630619017896 Energy: 0.621888595967494 Energy: 0.6256420112165989 Energy: 0.6614281952693992 Energy: 0.6614674422434982 Energy: 0.6173631975102182 Energy: 0.62645462338628 Energy: 0.6264052491269058 Energy: 0.6449164890537111 Energy: 0.6415251664021179 Energy: 0.6415251646640268 Energy: 0.6299925268412574 Energy: 0.6257688315859358 Energy: 0.6257331125721199 Energy: 0.6173356086729892 Energy: 0.6765842731403356 Energy: 0.6765804610127464 Energy: 0.6279200756355956 Energy: 0.6712917401266586 Energy: 0.6713003220919858 Energy: 0.6365347726747977 Energy: 0.6643937684349295 Energy: 0.6644128900968874 minimum gb energy = 0.6173356086729892 eV minimum distance = 2.53841110590612 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.6251530858705684 Energy: 0.6297597656384128 Energy: 0.6297597576041947 Energy: 0.6173843995480144 Energy: 0.6681790348239376 Energy: 0.6681790504509795 Energy: 0.6228465124621713 Energy: 0.6581909958680474 Energy: 0.6581860146600257 Energy: 0.6161615001998214 Energy: 0.6586432863684812 Energy: 0.6586526752295648 Energy: 0.664912949861546 Energy: 0.6115353480498806 Energy: 0.6115164468044654 Energy: 0.6581417531193562 Energy: 0.6206718263445075 Energy: 0.620674397966074 Energy: 0.6110152249645647 Energy: 0.6207219672353579 Energy: 0.620683569119196 Energy: 0.611082908766697 Energy: 0.6190258036559562 Energy: 0.619063132231978 Energy: 0.6132331900269512 Energy: 0.6975000262050896 Energy: 0.6974691701078881 Energy: 0.6110848229495757 Energy: 0.6245206627608457 Energy: 0.6245211251415242 minimum gb energy = 0.6110152249645647 eV minimum distance = 2.55099124059976 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.6281037103131115 Energy: 0.6291479583985153 Energy: 0.6291164800554092 Energy: 0.6557537213537803 Energy: 0.6189781285974636 Energy: 0.6189529917086382 Energy: 0.6144001853215242 Energy: 0.6615042118221749 Energy: 0.661504300136772 Energy: 0.677177158150605 Energy: 0.6124068148079452 Energy: 0.6124092585141557 Energy: 0.6171633813608554 Energy: 0.6641839359141106 Energy: 0.6641830286645659 Energy: 0.6380975827455025 Energy: 0.6175342294825485 Energy: 0.6175618459598009 Energy: 0.612575480148466 Energy: 0.6792014955050436 Energy: 0.6792015020140761 Energy: 0.61362683992475 Energy: 0.6217648449787474 Energy: 0.6217429896396907 Energy: 0.6119249212214843 Energy: 0.6377091882379444 Energy: 0.6377304699623257 Energy: 0.6213670857277939 Energy: 0.6319393468656659 Energy: 0.6319395326229672 minimum gb energy = 0.6119249212214843 eV minimum distance = 2.55326196126549 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.6237899126137014 Energy: 0.6322545480654669 Energy: 0.632254551778346 Energy: 0.6173792367158487 Energy: 0.6606674879838786 Energy: 0.6606677555795116 Energy: 0.6114591987444268 Energy: 0.6608781861521164 Energy: 0.6608781846382196 Energy: 0.6105912842358702 Energy: 0.6433556100789749 Energy: 0.6433556100958002 Energy: 0.6102930985648692 Energy: 0.6124815805568905 Energy: 0.6124815530114351 Energy: 0.6229805283766464 Energy: 0.6142699144424077 Energy: 0.6142699153656228 Energy: 0.6506582402576038 Energy: 0.6142699154671111 Energy: 0.6142699154700628 Energy: 0.6655472913005349 Energy: 0.619688490506271 Energy: 0.6196885941689926 Energy: 0.6161164970780688 Energy: 0.6191502537566266 Energy: 0.6191670014340185 Energy: 0.6233318635420655 Energy: 0.6124815637954807 Energy: 0.6124816428227906 minimum gb energy = 0.6102930985648692 eV minimum distance = 2.55624680172882 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5987773644424013 Energy: 0.5994271493119511 Energy: 0.5994271530217277 Energy: 0.5789851785032649 Energy: 0.5987768305284663 Energy: 0.5987768328539393 Energy: 0.5905884952812882 Energy: 0.5998040647937433 Energy: 0.5998040644073728 Energy: 0.5987768468032766 Energy: 0.578876085551491 Energy: 0.5788760855578229 Energy: 0.5987771180235038 Energy: 0.5987770017192836 Energy: 0.5987768548512529 Energy: 0.5987768640659883 Energy: 0.5998040643794131 Energy: 0.5998040741934945 Energy: 0.5789851785187843 Energy: 0.6273184756621258 Energy: 0.6273184985761254 Energy: 0.598777348184203 Energy: 0.5987772903817508 Energy: 0.5987768526085414 Energy: 0.5987769462235323 Energy: 0.5987776412966836 Energy: 0.5987768492958374 Energy: 0.57887608555236 Energy: 0.6273185299439143 Energy: 0.6273185544877217 minimum gb energy = 0.578876085551491 eV minimum distance = 2.59861223234097 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.6023469666175845 Energy: 0.6192113343815276 Energy: 0.6192113295935725 Energy: 0.5938640600153026 Energy: 0.650369815443122 Energy: 0.650369840179071 Energy: 0.5878055247907729 Energy: 0.6175360954961384 Energy: 0.6173412552462126 Energy: 0.5890013503275868 Energy: 0.5908673328318095 Energy: 0.5906111316145719 Energy: 0.6113610124068682 Energy: 0.6188029977884182 Energy: 0.618775260536655 Energy: 0.6323629536800432 Energy: 0.5886632342546051 Energy: 0.5886632341216094 Energy: 0.5862905191061111 Energy: 0.602248842046629 Energy: 0.6022515451996947 Energy: 0.5906187481189612 Energy: 0.5975004473615957 Energy: 0.597493602056118 Energy: 0.5914332021524339 Energy: 0.5966904927520826 Energy: 0.5966901716020525 Energy: 0.5917525375255975 Energy: 0.6925072048469609 Energy: 0.6925069605394799 minimum gb energy = 0.5862905191061111 eV minimum distance = 2.57591804623258 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.6051327189924448 Energy: 0.6137491613253834 Energy: 0.6137467271905087 Energy: 0.5940735289558975 Energy: 0.5885096302900418 Energy: 0.5885385426619139 Energy: 0.6085513148712083 Energy: 0.5874327990829625 Energy: 0.5873983060279288 Energy: 0.5890251340154073 Energy: 0.5989151074800503 Energy: 0.598873168772977 Energy: 0.5851527100550716 Energy: 0.6309897532346158 Energy: 0.630989753183683 Energy: 0.5904243615649784 Energy: 0.6048672513715813 Energy: 0.6048688359809457 Energy: 0.5841637191343984 Energy: 0.6335289749456575 Energy: 0.633534391816026 Energy: 0.5850596800374073 Energy: 0.6678178657152901 Energy: 0.6678100777288108 Energy: 0.5911570604304762 Energy: 0.5987793893867049 Energy: 0.5987741031765694 Energy: 0.5949842216497909 Energy: 0.5912048164565259 Energy: 0.5912111032133293 minimum gb energy = 0.5841637191343984 eV minimum distance = 2.57190555537954 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5966577379387404 Energy: 0.6148328316214022 Energy: 0.6148335715149011 Energy: 0.5792782894026459 Energy: 0.616701281046285 Energy: 0.6167063997685033 Energy: 0.5825766509682421 Energy: 0.6161729108793177 Energy: 0.6161681369983297 Energy: 0.5883293316176885 Energy: 0.6210342252116725 Energy: 0.6210091566498382 Energy: 0.5848055934231793 Energy: 0.6112338025801887 Energy: 0.611249634265246 Energy: 0.622069651495276 Energy: 0.5825539365292849 Energy: 0.5825541029340441 Energy: 0.5844431026799611 Energy: 0.5891792200881593 Energy: 0.5891863408558465 Energy: 0.5774655633718415 Energy: 0.6139528074167321 Energy: 0.6139543083185074 Energy: 0.5806138044826771 Energy: 0.5883421359269373 Energy: 0.5883307845547663 Energy: 0.5770061040196532 Energy: 0.592781997384508 Energy: 0.5928233197847537 minimum gb energy = 0.5770061040196532 eV minimum distance = 2.5564056985625 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.6019131893904052 Energy: 0.6057089403965115 Energy: 0.6057130692899452 Energy: 0.5804358113470587 Energy: 0.5921536144579514 Energy: 0.5921535807023393 Energy: 0.5765763712372782 Energy: 0.5950646673666701 Energy: 0.5950641525849298 Energy: 0.5716502711327299 Energy: 0.5954964721019127 Energy: 0.5954960898327425 Energy: 0.6511607966376028 Energy: 0.6051658701370339 Energy: 0.6051657653299855 Energy: 0.6848271346431619 Energy: 0.5726493877215858 Energy: 0.5726801016096836 Energy: 0.6248298686441285 Energy: 0.576564981297394 Energy: 0.5765620160629273 Energy: 0.569990476338554 Energy: 0.625408727783799 Energy: 0.6254101537426545 Energy: 0.5807814007751193 Energy: 0.5832044660108772 Energy: 0.5832036138978804 Energy: 0.5817294700000681 Energy: 0.5910941440739392 Energy: 0.5911012685685656 minimum gb energy = 0.569990476338554 eV minimum distance = 2.55734519209042 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.5811046323886128 Energy: 0.6237483184781497 Energy: 0.6237631591818454 Energy: 0.578438005886427 Energy: 0.5700624992339582 Energy: 0.5700607220524088 Energy: 0.57220991978879 Energy: 0.6000760818559976 Energy: 0.6000901944527365 Energy: 0.671185976750825 Energy: 0.5664609502582556 Energy: 0.5664603164204137 Energy: 0.5635787175714375 Energy: 0.6404757451917703 Energy: 0.6404787874247986 Energy: 0.584612992265219 Energy: 0.5845539628528587 Energy: 0.5845812488123449 Energy: 0.5664557146486039 Energy: 0.6404772724166173 Energy: 0.6404759096988627 Energy: 0.5842588740504064 Energy: 0.5952226213254136 Energy: 0.5952446391304931 Energy: 0.5664579212045137 Energy: 0.6042595416384987 Energy: 0.6042261042407925 Energy: 0.6315161955637513 Energy: 0.5644460002924001 Energy: 0.5644460631223248 minimum gb energy = 0.5635787175714375 eV minimum distance = 2.57886747617805 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5914293875494123 Energy: 0.582593465574978 Energy: 0.5826040576404211 Energy: 0.5687264533924485 Energy: 0.5760027624355706 Energy: 0.576002761506068 Energy: 0.5606534989932542 Energy: 0.5761746523302279 Energy: 0.5761886358138699 Energy: 0.5710855324340152 Energy: 0.5758720934444111 Energy: 0.5758776018984773 Energy: 0.615304370064502 Energy: 0.5923423319566785 Energy: 0.5923320888810721 Energy: 0.5578862362132774 Energy: 0.6639326862169777 Energy: 0.6639318538052674 Energy: 0.630289135751705 Energy: 0.6111113013264288 Energy: 0.6111113016843085 Energy: 0.5607062603670315 Energy: 0.6303287173932451 Energy: 0.6303373765988288 Energy: 0.5557546583202629 Energy: 0.5710912767932644 Energy: 0.5710627947190099 Energy: 0.5811202689953606 Energy: 0.579048590282655 Energy: 0.5790116635891369 minimum gb energy = 0.5557546583202629 eV minimum distance = 2.55801036033554 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5678639840941767 Energy: 0.5678637771625906 Energy: 0.5678650849984723 Energy: 0.533582936004455 Energy: 0.5908145198599543 Energy: 0.5908145354239845 Energy: 0.5354168873754881 Energy: 0.59878916840254 Energy: 0.5987889181635484 Energy: 0.5335829334213531 Energy: 0.5440235839210482 Energy: 0.5440505688749241 Energy: 0.5678819486571945 Energy: 0.5682948326083928 Energy: 0.5682763929579892 Energy: 0.5496636555056479 Energy: 0.5435982920194244 Energy: 0.5436278275955889 Energy: 0.5691263776759055 Energy: 0.5436121162463314 Energy: 0.543642423393685 Energy: 0.5678637877630884 Energy: 0.5436293416402034 Energy: 0.5436157117852758 Energy: 0.5335829334255429 Energy: 0.6092401426461831 Energy: 0.6092401589523208 Energy: 0.535399895679937 Energy: 0.5987890612777443 Energy: 0.5987889293168512 minimum gb energy = 0.5335829334213531 eV minimum distance = 2.56910302501808 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5972256234819132 Energy: 0.567542962575553 Energy: 0.5675429627848104 Energy: 0.5413155999404301 Energy: 0.5957985826727671 Energy: 0.5957833365170551 Energy: 0.5466818861420363 Energy: 0.6010821906782249 Energy: 0.6010847278619735 Energy: 0.6065277467129432 Energy: 0.5939013279563718 Energy: 0.5938992748551607 Energy: 0.6180522600883241 Energy: 0.5445099497757243 Energy: 0.5445099488840165 Energy: 0.5498793498864494 Energy: 0.5908408428123195 Energy: 0.5908481121309241 Energy: 0.5908501778153915 Energy: 0.5527271274193402 Energy: 0.5527075112575873 Energy: 0.5409956697160268 Energy: 0.6440923946255765 Energy: 0.6440879137677111 Energy: 0.5433408921257544 Energy: 0.585838533489802 Energy: 0.5858394930819631 Energy: 0.5455175465670506 Energy: 0.6780500135453941 Energy: 0.6780499967582229 minimum gb energy = 0.5409956697160268 eV minimum distance = 2.58518577479309 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.5631941607949739 Energy: 0.5471051211562745 Energy: 0.5470905863481382 Energy: 0.5370618624806546 Energy: 0.6135878279278663 Energy: 0.6135966167845741 Energy: 0.5507646012830002 Energy: 0.5480735835857643 Energy: 0.5480505116279336 Energy: 0.545419849785049 Energy: 0.5422142071363122 Energy: 0.5422142069219853 Energy: 0.5408957247329336 Energy: 0.6073838996856329 Energy: 0.6073768711347375 Energy: 0.5466027188219234 Energy: 0.5611293113545882 Energy: 0.5611293110206679 Energy: 0.5409090544503601 Energy: 0.5562196864530117 Energy: 0.5562255922573023 Energy: 0.622331855159994 Energy: 0.5515592151520181 Energy: 0.5515664332616501 Energy: 0.5370618525191663 Energy: 0.5507646011240442 Energy: 0.5507646009159326 Energy: 0.5370618787414768 Energy: 0.5388632681117543 Energy: 0.5388697822487417 minimum gb energy = 0.5370618525191663 eV minimum distance = 2.5752786966651 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5572780388052782 Energy: 0.5425875214582178 Energy: 0.542587240195441 Energy: 0.5498966743940346 Energy: 0.5478311377750285 Energy: 0.5478304178116301 Energy: 0.53588423543227 Energy: 0.5962508988484313 Energy: 0.5962557352260345 Energy: 0.580898796917099 Energy: 0.5291905943385502 Energy: 0.5291906156090537 Energy: 0.5290410407012018 Energy: 0.5429618833221457 Energy: 0.5429618857741454 Energy: 0.644641380430141 Energy: 0.5793399545233939 Energy: 0.5793398634745995 Energy: 0.5290409300963348 Energy: 0.5314781212091457 Energy: 0.5315007647801521 Energy: 0.5602570748566799 Energy: 0.5943151910548838 Energy: 0.5943147029992076 Energy: 0.5290412195275951 Energy: 0.5850644110754026 Energy: 0.5850630315439965 Energy: 0.5802066678535881 Energy: 0.5959049059942838 Energy: 0.5959072440355105 minimum gb energy = 0.5290409300963348 eV minimum distance = 2.51919058898159 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.5532674056900585 Energy: 0.5395969436302089 Energy: 0.5395967157718254 Energy: 0.5280452027402822 Energy: 0.6049309833775666 Energy: 0.6049355106710556 Energy: 0.5240191410889399 Energy: 0.5369603529319851 Energy: 0.5369552779748766 Energy: 0.5546911153174376 Energy: 0.5394465336901855 Energy: 0.5394485483773515 Energy: 0.5277697911259674 Energy: 0.5331260338813126 Energy: 0.5331480294075273 Energy: 0.5254616790631597 Energy: 0.5511722712571634 Energy: 0.5511722712143278 Energy: 0.5317641845460179 Energy: 0.5735243902940038 Energy: 0.5735123892879572 Energy: 0.5265656040938198 Energy: 0.6052001625044097 Energy: 0.6051985535665361 Energy: 0.5247447061490444 Energy: 0.546633043123209 Energy: 0.5466400999425578 Energy: 0.5896635499649484 Energy: 0.5317352313774949 Energy: 0.5317554495233294 minimum gb energy = 0.5240191410889399 eV minimum distance = 2.57508243201145 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4971923651688665 Energy: 0.49719372397275485 Energy: 0.49719519137418877 Energy: 0.5143436625476953 Energy: 0.4971919750631248 Energy: 0.4971932710304462 Energy: 0.49320385569033387 Energy: 0.5143437309623431 Energy: 0.5143436676868893 Energy: 0.5026032402074493 Energy: 0.5143436632588457 Energy: 0.5143436626858598 Energy: 0.5025977046611897 Energy: 0.5143439679611118 Energy: 0.5143436870679114 Energy: 0.6940051034703197 Energy: 0.5025948593498195 Energy: 0.5025947508985388 Energy: 0.5025969041340559 Energy: 0.5201290242172494 Energy: 0.5201292088677966 Energy: 0.49719743305825437 Energy: 0.5873460069596609 Energy: 0.5873462496069478 Energy: 0.5025971938630469 Energy: 0.5143436625571813 Energy: 0.5143436652703637 Energy: 0.49719961263720014 Energy: 0.5143436635419507 Energy: 0.5143436941657723 minimum gb energy = 0.49320385569033387 eV minimum distance = 2.59833861560118 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5921278652912122 Energy: 0.503576900854135 Energy: 0.503577090070643 Energy: 0.49242385800040095 Energy: 0.5089079712928495 Energy: 0.5089081140389204 Energy: 0.503318750776126 Energy: 0.5782842639035053 Energy: 0.578284050680961 Energy: 0.49017233113629927 Energy: 0.5566337489382372 Energy: 0.5566315136087188 Energy: 0.4940326530777629 Energy: 0.5027421041527744 Energy: 0.5027414328560222 Energy: 0.4894095100006535 Energy: 0.6228990944797462 Energy: 0.6229004494312245 Energy: 0.48901109488992833 Energy: 0.5429837575891446 Energy: 0.5429892051076656 Energy: 0.5173851124594211 Energy: 0.5402819792440346 Energy: 0.5402800734316214 Energy: 0.5037646517816666 Energy: 0.5866104184759976 Energy: 0.5866110954472975 Energy: 0.5718956915948782 Energy: 0.5389792086012344 Energy: 0.5389792090716811 minimum gb energy = 0.48901109488992833 eV minimum distance = 2.52241162464033 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.5149339291703448 Energy: 0.498522367011308 Energy: 0.49852162666527144 Energy: 0.48074457631672085 Energy: 0.5017373919250929 Energy: 0.5017418700184766 Energy: 0.4918975866611704 Energy: 0.49423313451215084 Energy: 0.494228190739254 Energy: 0.48038939358916505 Energy: 0.5463238595019558 Energy: 0.54632385879176 Energy: 0.6039071092928737 Energy: 0.48753538792388035 Energy: 0.4875370177889671 Energy: 0.49189794429262873 Energy: 0.5691067109558536 Energy: 0.5691116348770583 Energy: 0.4816406885177128 Energy: 0.5432170686211838 Energy: 0.5432322103947634 Energy: 0.5529077839767803 Energy: 0.49086814063817524 Energy: 0.49086811146758624 Energy: 0.4907921386384652 Energy: 0.5197213519641402 Energy: 0.5197213754572207 Energy: 0.4799978369903323 Energy: 0.597430054645624 Energy: 0.5974299102674914 minimum gb energy = 0.4799978369903323 eV minimum distance = 2.53955474492744 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.49617750830639995 Energy: 0.47874170576511427 Energy: 0.4787462855750105 Energy: 0.467459545844591 Energy: 0.5528468905214085 Energy: 0.5528468492673706 Energy: 0.4674595443287102 Energy: 0.48371537747879184 Energy: 0.48370574057183696 Energy: 0.47873464269599714 Energy: 0.4867599270141107 Energy: 0.48676037685653406 Energy: 0.557665615314949 Energy: 0.5660721584591514 Energy: 0.566071795327827 Energy: 0.46745954403404877 Energy: 0.4837109474786308 Energy: 0.4837089323630335 Energy: 0.48051463853182863 Energy: 0.5155796450216343 Energy: 0.5155799075548224 Energy: 0.6392112623740919 Energy: 0.5660691324034491 Energy: 0.5660726018082584 Energy: 0.4783965312048443 Energy: 0.4766049896975547 Energy: 0.4765973990906804 Energy: 0.4805136754122723 Energy: 0.5873366403562673 Energy: 0.587337379555539 minimum gb energy = 0.46745954403404877 eV minimum distance = 2.54538086925845 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5774812949241434 Energy: 0.48299154153978835 Energy: 0.48299312856296983 Energy: 0.4549061296173769 Energy: 0.4745443510594796 Energy: 0.47454377564510336 Energy: 0.46298736135835883 Energy: 0.6197207248374776 Energy: 0.6197164566377809 Energy: 0.46416947847446205 Energy: 0.4727971673316272 Energy: 0.4727985080893447 Energy: 0.45976238122588725 Energy: 0.5200209958380574 Energy: 0.5200173676837919 Energy: 0.5695013053624566 Energy: 0.5243504969589904 Energy: 0.5243537548152307 Energy: 0.46561239475002636 Energy: 0.5709456074512148 Energy: 0.5709443072701886 Energy: 0.663472561588842 Energy: 0.46606943382879606 Energy: 0.46606943386651556 Energy: 0.46627807606542626 Energy: 0.48429450100784255 Energy: 0.4842965486015258 Energy: 0.4632530712175536 Energy: 0.5095727556858051 Energy: 0.5095726794232797 minimum gb energy = 0.4549061296173769 eV minimum distance = 2.59333858394261 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.5514180508456831 Energy: 0.47145099739524465 Energy: 0.4714547604464252 Energy: 0.4556408453407862 Energy: 0.5459046154297931 Energy: 0.5459046016405774 Energy: 0.5412412281813224 Energy: 0.5069476080563863 Energy: 0.5069476087540116 Energy: 0.4660067655680128 Energy: 0.5989504614924067 Energy: 0.5989505355809585 Energy: 0.4697543102627772 Energy: 0.4990172659045947 Energy: 0.4990074348875536 Energy: 0.4637847993302802 Energy: 0.6182235088050204 Energy: 0.6182235373304781 Energy: 0.4608932739276391 Energy: 0.6239099254168294 Energy: 0.6239073704323029 Energy: 0.5485268832673654 Energy: 0.5051980203422635 Energy: 0.5051951931560656 Energy: 0.46515980859132944 Energy: 0.5729424152464058 Energy: 0.5729421025658947 Energy: 0.541242592774566 Energy: 0.5795989594511598 Energy: 0.5796004635104801 minimum gb energy = 0.4556408453407862 eV minimum distance = 2.51983743823085 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4554078272693132 Energy: 0.442181777099594 Energy: 0.4421948474573754 Energy: 0.4404431496354361 Energy: 0.4773139331716612 Energy: 0.4773142988038562 Energy: 0.43265740578732953 Energy: 0.4404431495397131 Energy: 0.44044314873874885 Energy: 0.44625506483132293 Energy: 0.5898354790010187 Energy: 0.5898354792823246 Energy: 0.43265768784675146 Energy: 0.44044314810384516 Energy: 0.4404431489116278 Energy: 0.44625482446304193 Energy: 0.4554077450825922 Energy: 0.45540790949507853 Energy: 0.4298097883690673 Energy: 0.5083493153333548 Energy: 0.5083480763985578 Energy: 0.4554076528447734 Energy: 0.4554075956325066 Energy: 0.4554076005643092 Energy: 0.4298178185914697 Energy: 0.5149777253247347 Energy: 0.5149778033327561 Energy: 0.43265769068528415 Energy: 0.5804538730791613 Energy: 0.5804502197452813 minimum gb energy = 0.4298097883690673 eV minimum distance = 2.540485248558 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.5272028505679016 Energy: 0.4414000374024111 Energy: 0.4414012817121965 Energy: 0.4264994819700836 Energy: 0.5617528982516754 Energy: 0.5617532707353046 Energy: 0.44714239246060494 Energy: 0.4751411977149938 Energy: 0.4751415312840928 Energy: 0.4207681964097046 Energy: 0.5589255382556846 Energy: 0.5589285380347807 Energy: 0.43147525286323835 Energy: 0.5348737851223709 Energy: 0.5348737174072903 Energy: 0.44348905031652847 Energy: 0.5661449715319896 Energy: 0.5661449722987569 Energy: 0.4207606707848677 Energy: 0.5194956385106922 Energy: 0.5194957772944049 Energy: 0.6733107640015127 Energy: 0.4716742002906591 Energy: 0.47167627541418466 Energy: 0.42470115712543 Energy: 0.6084435637522395 Energy: 0.6084326997723883 Energy: 0.428804343172646 Energy: 0.4758583195856484 Energy: 0.475858264268573 minimum gb energy = 0.4207606707848677 eV minimum distance = 2.58497532371342 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.5471557605653137 Energy: 0.4340415355405444 Energy: 0.434041496006954 Energy: 0.41371455488306524 Energy: 0.4930220209729854 Energy: 0.4930257283896015 Energy: 0.4052233882158853 Energy: 0.5359641827734918 Energy: 0.5359633073676587 Energy: 0.42626832626469136 Energy: 0.5398316760269026 Energy: 0.5398321111631631 Energy: 0.4262682494480799 Energy: 0.4447092974543653 Energy: 0.4447089378766622 Energy: 0.4142451205504996 Energy: 0.5511211465505808 Energy: 0.5511236015263297 Energy: 0.4192560367067117 Energy: 0.41558036575262614 Energy: 0.4155814056374954 Energy: 0.5471567549724072 Energy: 0.5982860946375045 Energy: 0.5982770288312237 Energy: 0.4142449239029373 Energy: 0.4418653912470576 Energy: 0.44186425072124863 Energy: 0.4142455851331683 Energy: 0.6128593330176373 Energy: 0.6128386017922652 minimum gb energy = 0.4052233882158853 eV minimum distance = 2.52898003499859 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5718463146266982 Energy: 0.42320358169466915 Energy: 0.4232035412626811 Energy: 0.4035964806573975 Energy: 0.4940947561734354 Energy: 0.494094973129568 Energy: 0.4173295203664716 Energy: 0.42229281850600314 Energy: 0.42229258118678176 Energy: 0.4149086576441705 Energy: 0.4116386688626684 Energy: 0.41163922967591543 Energy: 0.41367505124410836 Energy: 0.43629717033055404 Energy: 0.4362985558710749 Energy: 0.49909358487035366 Energy: 0.45080302642064224 Energy: 0.4508049520270687 Energy: 0.41263850315600625 Energy: 0.4559376390755568 Energy: 0.4559376394787699 Energy: 0.6444606289362971 Energy: 0.45080354461648664 Energy: 0.45080483921215303 Energy: 0.41264358676167057 Energy: 0.549765292428729 Energy: 0.5497653742267665 Energy: 0.4863334984239882 Energy: 0.4504402466282521 Energy: 0.4504400181516788 minimum gb energy = 0.4035964806573975 eV minimum distance = 2.52695583300299 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4206477821369179 Energy: 0.397209368860439 Energy: 0.3972079407329966 Energy: 0.39584043750761944 Energy: 0.6034727132154548 Energy: 0.6034727132299533 Energy: 0.5152133943286598 Energy: 0.3972086485376591 Energy: 0.3972083413703979 Energy: 0.3972075411703239 Energy: 0.6301149793750938 Energy: 0.630114543785096 Energy: 0.3972081988949211 Energy: 0.44043835742733817 Energy: 0.44043833148955935 Energy: 0.38257915099962686 Energy: 0.6153706566513052 Energy: 0.6153733894046597 Energy: 0.39584071071688953 Energy: 0.3972081596549603 Energy: 0.39720886199839894 Energy: 0.4206532944995756 Energy: 0.5536429938843319 Energy: 0.5536403789622693 Energy: 0.39584059956948375 Energy: 0.4374546699197415 Energy: 0.43745468707759266 Energy: 0.3825799493225937 Energy: 0.4958273602160745 Energy: 0.49582923398032824 minimum gb energy = 0.38257915099962686 eV minimum distance = 2.5336803064307 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.49001398323832884 Energy: 0.39132087337492266 Energy: 0.39132055242552927 Energy: 0.36918819482719667 Energy: 0.49140550175213354 Energy: 0.49140895027246634 Energy: 0.36552913209661675 Energy: 0.47957264277784156 Energy: 0.479572731493954 Energy: 0.4788810159628652 Energy: 0.4319065561609904 Energy: 0.4319066095936594 Energy: 0.4709286431371324 Energy: 0.5212852279469633 Energy: 0.5212852232429918 Energy: 0.3808054897415868 Energy: 0.38869901124498873 Energy: 0.3886990113346852 Energy: 0.37854017688534514 Energy: 0.43204801575233626 Energy: 0.4320480157636812 Energy: 0.5684637518295445 Energy: 0.4809066998855582 Energy: 0.4809066972492314 Energy: 0.3788042585837387 Energy: 0.37529064649075594 Energy: 0.37529067324728205 Energy: 0.36552913374637586 Energy: 0.5621705764127786 Energy: 0.5621704222554182 minimum gb energy = 0.36552913209661675 eV minimum distance = 2.52680525858894 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.5289098587949645 Energy: 0.36206546775831633 Energy: 0.3620651725491209 Energy: 0.44743529329454296 Energy: 0.36140271576932 Energy: 0.361402787639516 Energy: 0.3555399617358793 Energy: 0.40374213680414045 Energy: 0.40374200435580704 Energy: 0.350273174549656 Energy: 0.3692693799159751 Energy: 0.3692694170782878 Energy: 0.3555399273131276 Energy: 0.40374241226500823 Energy: 0.40374173667581575 Energy: 0.35553992854064087 Energy: 0.44864535933329464 Energy: 0.44864501060401396 Energy: 0.3548046570737067 Energy: 0.4486453400396078 Energy: 0.44864507468707754 Energy: 0.5289098515049567 Energy: 0.44864515347271716 Energy: 0.44864525375446973 Energy: 0.5260199777858554 Energy: 0.4486451139404311 Energy: 0.4486452403019001 Energy: 0.3555399231597382 Energy: 0.3846070691174407 Energy: 0.38460629105410765 minimum gb energy = 0.350273174549656 eV minimum distance = 2.60821580235201 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.5316389154156663 Energy: 0.3592747062268496 Energy: 0.35927397655120996 Energy: 0.43569234485290176 Energy: 0.4499628223456164 Energy: 0.4499631354822356 Energy: 0.3411375668122616 Energy: 0.3588265726985081 Energy: 0.35882657249286376 Energy: 0.3708621439305833 Energy: 0.35882657268244045 Energy: 0.35882657204518814 Energy: 0.5309315679330187 Energy: 0.38311729970102804 Energy: 0.3831109944943149 Energy: 0.34511673093301637 Energy: 0.4217217394315295 Energy: 0.4217217366837355 Energy: 0.3368205175681532 Energy: 0.5181531001295514 Energy: 0.5181531875733325 Energy: 0.5987885425451264 Energy: 0.4314168739250475 Energy: 0.43141631263102775 Energy: 0.34631321686773003 Energy: 0.3903319704292905 Energy: 0.3903336121397217 Energy: 0.3330074722980523 Energy: 0.48818874686914815 Energy: 0.4881887470128436 minimum gb energy = 0.3330074722980523 eV minimum distance = 2.5297218699129 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.479921783865728 Energy: 0.335400904182534 Energy: 0.3354009018930092 Energy: 0.33360355065149955 Energy: 0.34680213486440126 Energy: 0.34680213665753545 Energy: 0.3249373329514913 Energy: 0.4834603063368636 Energy: 0.4834603833658037 Energy: 0.31904394049295537 Energy: 0.47040619267908346 Energy: 0.4704059760837539 Energy: 0.32493935680421887 Energy: 0.4704059653195039 Energy: 0.4704060111999507 Energy: 0.324937821912828 Energy: 0.34680213416671785 Energy: 0.34680213430022255 Energy: 0.3336035506541494 Energy: 0.33981795893042915 Energy: 0.33981778159331233 Energy: 0.47992178133410257 Energy: 0.3468021346403196 Energy: 0.346802134760575 Energy: 0.42312830317744293 Energy: 0.47475138830898284 Energy: 0.47475136957169795 Energy: 0.3307851248452832 Energy: 0.3244990277266405 Energy: 0.32449701785475227 minimum gb energy = 0.31904394049295537 eV minimum distance = 2.59774893097143 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.5277839723409372 Energy: 0.33017528931294937 Energy: 0.3301754421140931 Energy: 0.31608043919535456 Energy: 0.3367750273399406 Energy: 0.33677502763519584 Energy: 0.31633131741153414 Energy: 0.327937610906952 Energy: 0.32793734785145046 Energy: 0.3875074601072569 Energy: 0.3375751338077225 Energy: 0.3375780596975542 Energy: 0.3875074340359551 Energy: 0.3625607168345096 Energy: 0.3625610397511873 Energy: 0.31450023249883685 Energy: 0.39442944257767193 Energy: 0.3944302225419877 Energy: 0.31277340172214735 Energy: 0.36256040975106757 Energy: 0.36256010911651565 Energy: 0.5834003619624339 Energy: 0.4225180555690328 Energy: 0.42251810001772433 Energy: 0.39990032681256954 Energy: 0.4635311013587588 Energy: 0.4635256313776884 Energy: 0.3088687822045477 Energy: 0.394429113037332 Energy: 0.3944289607627872 minimum gb energy = 0.3088687822045477 eV minimum distance = 2.53228376804937 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.48359659572016034 Energy: 0.3223515394513967 Energy: 0.32235154783896014 Energy: 0.35437526994172047 Energy: 0.3225294340518509 Energy: 0.32252762756387526 Energy: 0.3231330021626087 Energy: 0.3708865286880804 Energy: 0.3708918959131029 Energy: 0.29183074757510674 Energy: 0.41031396752411364 Energy: 0.4103144745045141 Energy: 0.3628962428505741 Energy: 0.41031288462004595 Energy: 0.410312425725217 Energy: 0.3260042649782779 Energy: 0.3767452858769641 Energy: 0.3767453150914476 Energy: 0.4520899427709423 Energy: 0.33324377803739585 Energy: 0.3332396371406336 Energy: 0.4835796517562924 Energy: 0.3225280765095172 Energy: 0.32252775680648876 Energy: 0.35437823205134433 Energy: 0.3044886988120916 Energy: 0.30448845726046453 Energy: 0.30947554457850185 Energy: 0.3225276422696587 Energy: 0.32252762167521465 minimum gb energy = 0.29183074757510674 eV minimum distance = 2.61645108185705 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4640173756496741 Energy: 0.29672021210491534 Energy: 0.2967185874391236 Energy: 0.4915781988112925 Energy: 0.34185676220226513 Energy: 0.34185670633413595 Energy: 0.2801446289097762 Energy: 0.30890105904454346 Energy: 0.30890087930173155 Energy: 0.2801444817519155 Energy: 0.3089011229007162 Energy: 0.308901164858782 Energy: 0.2704187322196154 Energy: 0.4045007485509955 Energy: 0.4045030204970699 Energy: 0.2868052606643764 Energy: 0.29284226095133425 Energy: 0.292842305982153 Energy: 0.45705826261490745 Energy: 0.397630455599737 Energy: 0.39763088489027876 Energy: 0.508277373797292 Energy: 0.3089012469201844 Energy: 0.3089010277769554 Energy: 0.3913564181745427 Energy: 0.308901048064458 Energy: 0.3089011013907634 Energy: 0.34154190945553065 Energy: 0.4013701417645338 Energy: 0.4013702594836034 minimum gb energy = 0.2704187322196154 eV minimum distance = 2.53964991742477 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.47550793396831137 Energy: 0.32030297866381313 Energy: 0.32030297886019476 Energy: 0.422612751171716 Energy: 0.2820553565656068 Energy: 0.2820548780908471 Energy: 0.2602557744603293 Energy: 0.3256381406709052 Energy: 0.32563820873887384 Energy: 0.2702824756055242 Energy: 0.282054733935519 Energy: 0.282055755558754 Energy: 0.2605111336101539 Energy: 0.29613940965712104 Energy: 0.2961444902637194 Energy: 0.3173430562835894 Energy: 0.3784942005413488 Energy: 0.3784940470966862 Energy: 0.28205474631446376 Energy: 0.282057649847856 Energy: 0.2820569675972482 Energy: 0.47550793483954856 Energy: 0.28893953679876255 Energy: 0.288938356281241 Energy: 0.4970386736302196 Energy: 0.31464239777790415 Energy: 0.31464148010564064 Energy: 0.2702844118259067 Energy: 0.29616047437923304 Energy: 0.2961511900669524 minimum gb energy = 0.2602557744603293 eV minimum distance = 2.61672493721117 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.44655987334326036 Energy: 0.2684618458325299 Energy: 0.2684618511307004 Energy: 0.3416002195745092 Energy: 0.36857452159834214 Energy: 0.3685763456682396 Energy: 0.25204815484373794 Energy: 0.3158965057820478 Energy: 0.31589692604937564 Energy: 0.2520481552169327 Energy: 0.26644553253516506 Energy: 0.2664461439528235 Energy: 0.25204824579975893 Energy: 0.2719935468726424 Energy: 0.27199337112799493 Energy: 0.252048159939206 Energy: 0.2780434620098857 Energy: 0.2780445019291501 Energy: 0.3416002195347695 Energy: 0.27200315952103776 Energy: 0.271996236186185 Energy: 0.4800775484560437 Energy: 0.27199447672795507 Energy: 0.2719919542145164 Energy: 0.3416002194286376 Energy: 0.2719928882825675 Energy: 0.2719929991106573 Energy: 0.24441687871779127 Energy: 0.2719933071668038 Energy: 0.2719934673316304 minimum gb energy = 0.24441687871779127 eV minimum distance = 2.61303944383172 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.44239057178325863 Energy: 0.29113840039958166 Energy: 0.29114374921880176 Energy: 0.34792331092518736 Energy: 0.2602820369845676 Energy: 0.2602958614018393 Energy: 0.34852634764298723 Energy: 0.2648236235150379 Energy: 0.26482362856883473 Energy: 0.2314327600896444 Energy: 0.2626497423652407 Energy: 0.2626490694470943 Energy: 0.24452828676735802 Energy: 0.2867987838439401 Energy: 0.286797057347628 Energy: 0.2390120244172741 Energy: 0.25292698033615757 Energy: 0.25292751894112664 Energy: 0.46097106111734676 Energy: 0.24058079009740477 Energy: 0.24058169539535593 Energy: 0.5039863709280935 Energy: 0.26264871660138933 Energy: 0.2626483650679421 Energy: 0.3479229022144717 Energy: 0.2485366717016874 Energy: 0.2485366717226979 Energy: 0.25752076867729073 Energy: 0.26264921753616755 Energy: 0.2626495705493019 minimum gb energy = 0.2314327600896444 eV minimum distance = 2.61236510611556 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.46061706221181703 Energy: 0.2436542680015949 Energy: 0.24365427474506882 Energy: 0.486442680369156 Energy: 0.3026730054427714 Energy: 0.30267027362560256 Energy: 0.2307632304185682 Energy: 0.2413416920029353 Energy: 0.24134170676090647 Energy: 0.2171940241997819 Energy: 0.2453238882862685 Energy: 0.24533011290050308 Energy: 0.23076319750884478 Energy: 0.24134242628215227 Energy: 0.24134241652913685 Energy: 0.22481792163824155 Energy: 0.245324307223092 Energy: 0.24532469703072338 Energy: 0.3057240159626722 Energy: 0.24961641027779685 Energy: 0.24961219890085204 Energy: 0.45880262524098087 Energy: 0.24532498973738176 Energy: 0.2453250916726824 Energy: 0.3792966836580021 Energy: 0.24961823889582943 Energy: 0.24959994975954045 Energy: 0.22761557841751595 Energy: 0.24532421573622407 Energy: 0.2453256812144149 minimum gb energy = 0.2171940241997819 eV minimum distance = 2.61044122658368 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4377938205715032 Energy: 0.23410727030370834 Energy: 0.2341084084535604 Energy: 0.2942395879063871 Energy: 0.23467761438418155 Energy: 0.23467704971208334 Energy: 0.25959556463774347 Energy: 0.23118644320505974 Energy: 0.23120194897958668 Energy: 0.20707952061152005 Energy: 0.23118801538841877 Energy: 0.2311866949189625 Energy: 0.21458691918945788 Energy: 0.23828303844704823 Energy: 0.2382830308658768 Energy: 0.21930738703821942 Energy: 0.30909102122785237 Energy: 0.3090943637894554 Energy: 0.2942396006777474 Energy: 0.23118606612943043 Energy: 0.2311867012617929 Energy: 0.4902016841385567 Energy: 0.23118659370946745 Energy: 0.23118657856758448 Energy: 0.46048437971228595 Energy: 0.2861164217483694 Energy: 0.2861164668219205 Energy: 0.28002698436419443 Energy: 0.23118602563612786 Energy: 0.23118603025162332 minimum gb energy = 0.20707952061152005 eV minimum distance = 2.60839106714754 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.41761205646656324 Energy: 0.22472126314300697 Energy: 0.22472150878788996 Energy: 0.2840194079851336 Energy: 0.22533545571335986 Energy: 0.2253312104604096 Energy: 0.20956083424391964 Energy: 0.22850624216898074 Energy: 0.22851132516620082 Energy: 0.20576506334311984 Energy: 0.23177482713616115 Energy: 0.23177696394434316 Energy: 0.20268932235070616 Energy: 0.22533173374348317 Energy: 0.2253305208909458 Energy: 0.31329371039830795 Energy: 0.2740554716321424 Energy: 0.2740545620343587 Energy: 0.3974211313387031 Energy: 0.24904391290136194 Energy: 0.24904416528001688 Energy: 0.46699872545770355 Energy: 0.22850580795354433 Energy: 0.22850968583410894 Energy: 0.3426779114399296 Energy: 0.23177749872420927 Energy: 0.23177633087084706 Energy: 0.214263694845329 Energy: 0.26663320618296404 Energy: 0.26663330205347524 minimum gb energy = 0.20268932235070616 eV minimum distance = 2.60808605508974 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011786715937788737 Energy: 0.011786715934000028 Energy: 0.011786715938142091 Energy: 0.011786715932272533 Energy: 0.1519983073696092 Energy: 0.15199830736856879 Energy: 0.011786715932606252 Energy: 0.15199830736925585 Energy: 0.1519983073696092 Energy: 0.011786715934333747 Energy: 0.15199830736856879 Energy: 0.15199830737271083 Energy: 0.011786715932959603 Energy: 0.1519983073702963 Energy: 0.1519983073678817 Energy: 0.011786715932272533 Energy: 0.15199830736719463 Energy: 0.1519983073696092 Energy: 0.011786715929857963 Energy: 0.15199830736925585 Energy: 0.15199830736823505 Energy: 0.011786715935727523 Energy: 0.011786715934000028 Energy: 0.011786715930878756 Energy: 0.011786715934000028 Energy: 0.15199830736892211 Energy: 0.15199830736650755 Energy: 0.011786715943658297 Energy: 0.1519983073678817 Energy: 0.15199830736478004 minimum gb energy = 0.011786715929857963 eV minimum distance = 2.85124561816304 Angstroms sigma value = 1