model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_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=4.049999862909317 cohesive_energy=3.3503944978124447 mass=26.981538 Isolated atom energy: -0.00986900153303542 eV ======================================== theta = 0.0 ======================================== Energy: 0.010295998605704222 Energy: 0.010295998605204505 Energy: 0.010295998604232833 Energy: 0.010295998604232833 Energy: 0.010295998602761446 Energy: 0.010295998603261162 Energy: 0.010295998602761446 Energy: 0.2984771659956584 Energy: 0.2984771659976295 Energy: 0.010295998603733116 Energy: 0.01029599860473255 Energy: 0.010295998603261162 Energy: 0.010295998602761446 Energy: 0.010295998605204505 Energy: 0.01029599860473255 Energy: 0.15237201763987565 Energy: 0.01029599859984643 Energy: 0.010295998602761446 Energy: 0.010295998602761446 Energy: 0.010295998601290057 Energy: 0.010295998603261162 Energy: 0.010295998602761446 Energy: 0.01029599860228949 Energy: 0.010295998602761446 Energy: 0.010295998603733116 Energy: 0.2984771660191173 Energy: 0.29847716599663004 Energy: 0.01029599859887476 Energy: 0.010295998603733116 Energy: 0.010295998600818103 minimum gb energy = 0.01029599859887476 eV minimum distance = 2.8636850646877 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.40420023454668547 Energy: 0.3686051797265774 Energy: 0.36860514554801815 Energy: 0.36672144841977306 Energy: 0.3686386388914124 Energy: 0.36863900393200066 Energy: 0.3661882290463063 Energy: 0.37302905479727616 Energy: 0.3730290332762027 Energy: 0.3813350000867002 Energy: 0.39205935219343585 Energy: 0.39205934164405865 Energy: 0.3827239084152751 Energy: 0.368925879402536 Energy: 0.3689258772846769 Energy: 0.35222462476006644 Energy: 0.3770900790140407 Energy: 0.377090052754325 Energy: 0.36542343901504476 Energy: 0.36892585145316015 Energy: 0.3689258439329387 Energy: 0.38269748698115136 Energy: 0.40631042738052436 Energy: 0.4063104273135998 Energy: 0.37386367912271246 Energy: 0.4214594139483056 Energy: 0.4214594708778727 Energy: 0.3733678147034755 Energy: 0.3853866796307163 Energy: 0.3853867038550689 minimum gb energy = 0.35222462476006644 eV minimum distance = 2.55992180061941 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4148250515881352 Energy: 0.383317159399494 Energy: 0.3833172996883433 Energy: 0.3605444275385421 Energy: 0.3849177784449277 Energy: 0.3849177776780157 Energy: 0.37087707044141816 Energy: 0.38370898178460755 Energy: 0.3837090211884027 Energy: 0.3756375591713175 Energy: 0.3853126130249716 Energy: 0.38531279918527334 Energy: 0.3668655122128157 Energy: 0.3833099295093146 Energy: 0.3833100557691777 Energy: 0.40561808641447833 Energy: 0.3851794825787609 Energy: 0.3851802313166002 Energy: 0.3615587258888492 Energy: 0.3837089898198566 Energy: 0.38370900993546514 Energy: 0.3670520374406095 Energy: 0.38531273963732376 Energy: 0.38531280517100364 Energy: 0.3713921983091512 Energy: 0.38370899622766863 Energy: 0.383709020399559 Energy: 0.3645603143630028 Energy: 0.3948191593580518 Energy: 0.39481908987702036 minimum gb energy = 0.3605444275385421 eV minimum distance = 2.60377930581341 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.42620002061078255 Energy: 0.3906394440366082 Energy: 0.39063945466085925 Energy: 0.38170361615760123 Energy: 0.39374053400022796 Energy: 0.3937406068036056 Energy: 0.407933544265125 Energy: 0.38356953692616896 Energy: 0.3835695327061282 Energy: 0.38295800648655604 Energy: 0.45865015963183703 Energy: 0.45865016411747217 Energy: 0.39152816649809574 Energy: 0.38623414406733947 Energy: 0.38623414494612424 Energy: 0.372236991142355 Energy: 0.4004681218614052 Energy: 0.40046831430400076 Energy: 0.38155865379846476 Energy: 0.3862341600455176 Energy: 0.38623415610153 Energy: 0.3915690713552075 Energy: 0.4881542338002041 Energy: 0.48815580353450844 Energy: 0.4455245564880837 Energy: 0.38623415091545615 Energy: 0.38623414482961166 Energy: 0.3781901009759085 Energy: 0.400468241563172 Energy: 0.4004681145454323 minimum gb energy = 0.372236991142355 eV minimum distance = 2.60560974642691 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.4374890640070927 Energy: 0.40748675367257403 Energy: 0.40748675581085386 Energy: 0.39598186362635845 Energy: 0.46014641303181447 Energy: 0.4601464101748418 Energy: 0.40505656089553066 Energy: 0.4025394805403487 Energy: 0.40253953780479756 Energy: 0.3992527858201303 Energy: 0.4080857028066719 Energy: 0.40807406236858984 Energy: 0.4062633158158742 Energy: 0.4755811014718579 Energy: 0.475581310889361 Energy: 0.42566901530448065 Energy: 0.40582349444743476 Energy: 0.4058236237199374 Energy: 0.40626311668008996 Energy: 0.4803366978810029 Energy: 0.4803407078808786 Energy: 0.3910507019539185 Energy: 0.40926069323083053 Energy: 0.40926134783492374 Energy: 0.4074220918643822 Energy: 0.40290021512841334 Energy: 0.40290020332453974 Energy: 0.4006435912783543 Energy: 0.4248490020523364 Energy: 0.4248489967216779 minimum gb energy = 0.3910507019539185 eV minimum distance = 2.56595298412271 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.4495907042277395 Energy: 0.4273865940093905 Energy: 0.42738658867060547 Energy: 0.42364945153590894 Energy: 0.4223318099512623 Energy: 0.4223318102798013 Energy: 0.4106881219355728 Energy: 0.41716498922252954 Energy: 0.41716499280766517 Energy: 0.40026003437437346 Energy: 0.4167907206685037 Energy: 0.4167907114332962 Energy: 0.4425233704477066 Energy: 0.43067662608652874 Energy: 0.4306761213209374 Energy: 0.3951216703713911 Energy: 0.4273926694811671 Energy: 0.4273927866028435 Energy: 0.42498359773852523 Energy: 0.41523802519070147 Energy: 0.41523802377132174 Energy: 0.42498360693438203 Energy: 0.4466137954087359 Energy: 0.44661369165127457 Energy: 0.3988567935851104 Energy: 0.41636891848309643 Energy: 0.4163689201792581 Energy: 0.4249836028464945 Energy: 0.43933132033411093 Energy: 0.43933117600781474 minimum gb energy = 0.3951216703713911 eV minimum distance = 2.56903949628631 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.46341621650751325 Energy: 0.43546402116895205 Energy: 0.43546401169979465 Energy: 0.4157350726893921 Energy: 0.4364644197966934 Energy: 0.43646432838840654 Energy: 0.4264920920281178 Energy: 0.4440486550870066 Energy: 0.4440488623197436 Energy: 0.4152460546567496 Energy: 0.43045477058635595 Energy: 0.43045477060483106 Energy: 0.42679289829172357 Energy: 0.43624719276012114 Energy: 0.4362460726410222 Energy: 0.44587157109220626 Energy: 0.445952703522116 Energy: 0.4459528371681094 Energy: 0.414462636928657 Energy: 0.4531619345332845 Energy: 0.45316190402013556 Energy: 0.4281459233691258 Energy: 0.4362471378191403 Energy: 0.43624620961348587 Energy: 0.4264920518344083 Energy: 0.45024032974356193 Energy: 0.4502403176856347 Energy: 0.44570026438484006 Energy: 0.43892822275704474 Energy: 0.4389262505096613 minimum gb energy = 0.414462636928657 eV minimum distance = 2.51137857505478 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.46828476250673906 Energy: 0.46279140902831456 Energy: 0.46279140865296187 Energy: 0.4490421899767445 Energy: 0.4590201954357974 Energy: 0.45901983753914194 Energy: 0.43852350427018494 Energy: 0.4593371521715292 Energy: 0.459337145188655 Energy: 0.4288073696719283 Energy: 0.45933715170606637 Energy: 0.45933715142293313 Energy: 0.4292059465168776 Energy: 0.4625095864197596 Energy: 0.46250958641004714 Energy: 0.4318625294653786 Energy: 0.4625095864262346 Energy: 0.4625096335550186 Energy: 0.4606266769135788 Energy: 0.45903424587230135 Energy: 0.4590340123651739 Energy: 0.4385234942465225 Energy: 0.45933714726241476 Energy: 0.45933716095361404 Energy: 0.4405090848004439 Energy: 0.4593371571323944 Energy: 0.45933715311049944 Energy: 0.4502478842680117 Energy: 0.4627914241822218 Energy: 0.4627914078633576 minimum gb energy = 0.4288073696719283 eV minimum distance = 2.52751768676021 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.4743636826324795 Energy: 0.47670863476649084 Energy: 0.4767086385241301 Energy: 0.4467314492570284 Energy: 0.44964748848227554 Energy: 0.44964748725194176 Energy: 0.46569521426071253 Energy: 0.4534780553447433 Energy: 0.45347806802372137 Energy: 0.47377726316367774 Energy: 0.4484812998435576 Energy: 0.4484812999725909 Energy: 0.4517382165681656 Energy: 0.46760502535822634 Energy: 0.4675999028105556 Energy: 0.46250118612283225 Energy: 0.46759969347494024 Energy: 0.4675997394457398 Energy: 0.47377726300494805 Energy: 0.4531117622622234 Energy: 0.4531117616606926 Energy: 0.47377726269297077 Energy: 0.45347806636265225 Energy: 0.45347806638628824 Energy: 0.4467314515123281 Energy: 0.4496475191383639 Energy: 0.4496467949561457 Energy: 0.4743634069888632 Energy: 0.47117665320089747 Energy: 0.4711766532348362 minimum gb energy = 0.4467314492570284 eV minimum distance = 2.50295056346598 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.48929453621165314 Energy: 0.48967055153225525 Energy: 0.4896705414801745 Energy: 0.4822033227482149 Energy: 0.4612365753890141 Energy: 0.46123656243356115 Energy: 0.4619616713988722 Energy: 0.48638864167032847 Energy: 0.48638875471862103 Energy: 0.4609273220277825 Energy: 0.4767353940596419 Energy: 0.4767351210385428 Energy: 0.47421910715121895 Energy: 0.4835517802717107 Energy: 0.48355186372340686 Energy: 0.4701642971263554 Energy: 0.47198043602166007 Energy: 0.4719795596884135 Energy: 0.47323575945725915 Energy: 0.49039489855663126 Energy: 0.4903949012760476 Energy: 0.4745647384175392 Energy: 0.5231374942321045 Energy: 0.523136613094228 Energy: 0.4445660073314332 Energy: 0.481489139537108 Energy: 0.4814892966110626 Energy: 0.47925713432537487 Energy: 0.48902452184491263 Energy: 0.48902452223219717 minimum gb energy = 0.4445660073314332 eV minimum distance = 2.52224334596723 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.48568653911858695 Energy: 0.4961744775241661 Energy: 0.4961751281339781 Energy: 0.46779480489487907 Energy: 0.47262077475558695 Energy: 0.47262039518486837 Energy: 0.49167324036444615 Energy: 0.48165444248150446 Energy: 0.48165661931238757 Energy: 0.462967435451264 Energy: 0.4975739121788324 Energy: 0.4975740892827077 Energy: 0.4645207134760315 Energy: 0.4949695115962327 Energy: 0.49496951921320786 Energy: 0.4551345772346979 Energy: 0.4962001571866131 Energy: 0.49620010624439337 Energy: 0.46339480124977256 Energy: 0.4932333838971652 Energy: 0.49323356969409377 Energy: 0.44817876354712594 Energy: 0.49757494938650537 Energy: 0.4975739061394142 Energy: 0.48568225148241534 Energy: 0.48245554637185917 Energy: 0.4824545011811372 Energy: 0.4677948058445667 Energy: 0.488580847254904 Energy: 0.4885801146824215 minimum gb energy = 0.44817876354712594 eV minimum distance = 2.50676976417377 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.5065229540473165 Energy: 0.504782944157206 Energy: 0.5047821600409438 Energy: 0.4559052037814143 Energy: 0.47861294479948824 Energy: 0.4786129156122618 Energy: 0.490829245207724 Energy: 0.5221457508626891 Energy: 0.5221457227726938 Energy: 0.46696614943079073 Energy: 0.4786129718252809 Energy: 0.4786129064714719 Energy: 0.4761427799333157 Energy: 0.501257506791566 Energy: 0.5012646647040307 Energy: 0.48682838633716446 Energy: 0.4876987063373343 Energy: 0.49659047191059985 Energy: 0.4958324908776956 Energy: 0.4856928346753064 Energy: 0.4908109376781436 Energy: 0.4722566227026423 Energy: 0.4773652183977017 Energy: 0.4773651942058319 Energy: 0.4749079600102311 Energy: 0.5005750808219068 Energy: 0.5005661336193901 Energy: 0.48284698448143565 Energy: 0.5121982632671217 Energy: 0.5122001442019106 minimum gb energy = 0.4559052037814143 eV minimum distance = 2.53413197718017 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5171187651271156 Energy: 0.5326188507628798 Energy: 0.5326188436964123 Energy: 0.5093021962281887 Energy: 0.5047026304558225 Energy: 0.5042892283052846 Energy: 0.5146740142558319 Energy: 0.5044707736276309 Energy: 0.5062955512233361 Energy: 0.49700639306522215 Energy: 0.5284132177742716 Energy: 0.5284130554526342 Energy: 0.5007786820711202 Energy: 0.5125887748380606 Energy: 0.5125916067987296 Energy: 0.4983139486025888 Energy: 0.480551155964849 Energy: 0.4805511570552194 Energy: 0.5043987636849202 Energy: 0.5116840028076588 Energy: 0.5116841199066202 Energy: 0.46921256429512087 Energy: 0.5059695849599605 Energy: 0.5059676622115826 Energy: 0.4849818799756894 Energy: 0.5061858429992385 Energy: 0.5061434278633113 Energy: 0.5171223761994983 Energy: 0.5074473953043191 Energy: 0.507447392146433 minimum gb energy = 0.46921256429512087 eV minimum distance = 2.51745108658619 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5273088355713841 Energy: 0.543205084174843 Energy: 0.5431935109464309 Energy: 0.48595603474461596 Energy: 0.6393172388389349 Energy: 0.6393173294339011 Energy: 0.5177034634264233 Energy: 0.4973867623598905 Energy: 0.4973867623376021 Energy: 0.5166191992292354 Energy: 0.5295373902540239 Energy: 0.5295240567241044 Energy: 0.49348036782473254 Energy: 0.4973868917740966 Energy: 0.4973867964049784 Energy: 0.5076006842901682 Energy: 0.4988197322907187 Energy: 0.4988197961326655 Energy: 0.4910839889161697 Energy: 0.4849546163896616 Energy: 0.4849546400380945 Energy: 0.5198389036394103 Energy: 0.4910839705892466 Energy: 0.49108404277647916 Energy: 0.49348034509582617 Energy: 0.4969159241487114 Energy: 0.4969159474712805 Energy: 0.5371009845334496 Energy: 0.5088406698864738 Energy: 0.5088405509680684 minimum gb energy = 0.4849546163896616 eV minimum distance = 2.45578096990292 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5179493788662872 Energy: 0.5200450485196525 Energy: 0.5200450557109915 Energy: 0.5150269806116207 Energy: 0.5102335074709177 Energy: 0.5102334794249438 Energy: 0.539167031029891 Energy: 0.5341900473533777 Energy: 0.5341900410307985 Energy: 0.4978932793121588 Energy: 0.47127670244950337 Energy: 0.4712767056333008 Energy: 0.4978932749712998 Energy: 0.5359236540526078 Energy: 0.5359232130265377 Energy: 0.47881952153301355 Energy: 0.5176283045237937 Energy: 0.5176283057670539 Energy: 0.46404742819104544 Energy: 0.5200450486336403 Energy: 0.520045048883634 Energy: 0.46404742819104544 Energy: 0.47881952168530956 Energy: 0.47881952166901925 Energy: 0.4960920161636252 Energy: 0.5359229291732329 Energy: 0.535923475843206 Energy: 0.4960922590700547 Energy: 0.5359242558164709 Energy: 0.5359234408271611 minimum gb energy = 0.46404742819104544 eV minimum distance = 2.545494047404 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.538749836669257 Energy: 0.5155735471531019 Energy: 0.5155735471217369 Energy: 0.5349849430610194 Energy: 0.509400917290107 Energy: 0.5094009178942017 Energy: 0.5349849354303825 Energy: 0.4947379178483567 Energy: 0.49473774809908294 Energy: 0.5217110091897763 Energy: 0.5155735463937953 Energy: 0.5155735386758574 Energy: 0.5185245184571476 Energy: 0.4993596725988892 Energy: 0.4993594056285118 Energy: 0.5185245685293531 Energy: 0.5153652533410978 Energy: 0.5153652573829053 Energy: 0.49998987941207146 Energy: 0.5155735461308067 Energy: 0.5155735402981833 Energy: 0.5127502893049674 Energy: 0.5285073241600978 Energy: 0.5376244516129101 Energy: 0.509359490604163 Energy: 0.5121459190003448 Energy: 0.512145945660123 Energy: 0.4816507406690703 Energy: 0.5305050166577557 Energy: 0.5305048589704917 minimum gb energy = 0.4816507406690703 eV minimum distance = 2.42917109662764 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5362158308422116 Energy: 0.5169360563217931 Energy: 0.5169360547961421 Energy: 0.5077781002976385 Energy: 0.5180871612222084 Energy: 0.5180871637655062 Energy: 0.5617042224836242 Energy: 0.5581250844924355 Energy: 0.5581345959806627 Energy: 0.5154435932052294 Energy: 0.5107510744618926 Energy: 0.5107510745334392 Energy: 0.5254354205271975 Energy: 0.5430157063855691 Energy: 0.5416727940428195 Energy: 0.5577780544927123 Energy: 0.5226947082322276 Energy: 0.5226947133129453 Energy: 0.527520461509625 Energy: 0.514773909162125 Energy: 0.5147740196015114 Energy: 0.497517522239749 Energy: 0.5147739072280083 Energy: 0.5147740054495635 Energy: 0.5431027714816189 Energy: 0.5286817078683288 Energy: 0.5286816916848452 Energy: 0.5163845399968414 Energy: 0.5071594715444459 Energy: 0.5071594482004336 minimum gb energy = 0.497517522239749 eV minimum distance = 2.49193266646479 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.539073860237057 Energy: 0.5390765054799501 Energy: 0.5390764350276811 Energy: 0.504178723932747 Energy: 0.5214518514515012 Energy: 0.521451854090456 Energy: 0.5652531633272333 Energy: 0.5199862990760583 Energy: 0.519986276773405 Energy: 0.5054995363824554 Energy: 0.5042813921045015 Energy: 0.5042811360460693 Energy: 0.5070138448220186 Energy: 0.5426727728358678 Energy: 0.5426728421928422 Energy: 0.5230439051757279 Energy: 0.5221456823553142 Energy: 0.5221456911804964 Energy: 0.5459170750660619 Energy: 0.5138642062904983 Energy: 0.5138644481901713 Energy: 0.5561022075816566 Energy: 0.5042816540159915 Energy: 0.504281262913004 Energy: 0.5453317938915897 Energy: 0.5256795637468871 Energy: 0.5256795447380749 Energy: 0.4861869402792699 Energy: 0.5123749304212399 Energy: 0.5123749260881041 minimum gb energy = 0.4861869402792699 eV minimum distance = 2.5553363592904 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.4904405199768965 Energy: 0.4931981147825279 Energy: 0.4931981142577895 Energy: 0.5429460955324132 Energy: 0.4779731372316659 Energy: 0.4779731225896519 Energy: 0.6015809736376323 Energy: 0.5248979785167557 Energy: 0.5248979721439703 Energy: 0.4779731316051441 Energy: 0.48026937692130034 Energy: 0.4802694401066122 Energy: 0.5377730363524527 Energy: 0.4766540075438918 Energy: 0.4766540191653539 Energy: 0.47797312345555243 Energy: 0.49537567954484235 Energy: 0.4953756926659149 Energy: 0.5403925709075914 Energy: 0.524897994221282 Energy: 0.5248979724673566 Energy: 0.4779731211445273 Energy: 0.49537567454254994 Energy: 0.4953757196696752 Energy: 0.47665402392123496 Energy: 0.5248979821722294 Energy: 0.5248979738722163 Energy: 0.47860638307775993 Energy: 0.477973124660218 Energy: 0.47797312171548295 minimum gb energy = 0.4766540075438918 eV minimum distance = 2.66408816681443 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5388787245897594 Energy: 0.5516068106913157 Energy: 0.5516064968040832 Energy: 0.49624133857294817 Energy: 0.5665780022135364 Energy: 0.5665675841382213 Energy: 0.5453227282188078 Energy: 0.5463320185571962 Energy: 0.5463276182147166 Energy: 0.5528000837270386 Energy: 0.5345979915847783 Energy: 0.5345975228314458 Energy: 0.5220457858411497 Energy: 0.5773243595991782 Energy: 0.5773201266761099 Energy: 0.5682788091373344 Energy: 0.5581281825450036 Energy: 0.5581248108764075 Energy: 0.5473783368350559 Energy: 0.5320639031458039 Energy: 0.5320639025213257 Energy: 0.4981625053758618 Energy: 0.4998348647214699 Energy: 0.49983486576469877 Energy: 0.5817962023681761 Energy: 0.5547441486377267 Energy: 0.5547442845952599 Energy: 0.5215335132689727 Energy: 0.5345977634605183 Energy: 0.5345975564983539 minimum gb energy = 0.49624133857294817 eV minimum distance = 2.43195194922068 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5481832621319334 Energy: 0.5108880314277277 Energy: 0.5108879693853788 Energy: 0.5289297673988124 Energy: 0.5460064186105676 Energy: 0.5460065510425056 Energy: 0.5870807466127678 Energy: 0.5751332325208257 Energy: 0.5751330798583002 Energy: 0.5266639131073623 Energy: 0.5108880247809967 Energy: 0.5108880246113725 Energy: 0.5029312342662108 Energy: 0.5108879722836023 Energy: 0.5108879715815351 Energy: 0.5916246866766554 Energy: 0.5880577783270223 Energy: 0.5880579983755511 Energy: 0.5318318795993691 Energy: 0.5482663449995892 Energy: 0.5482661733328438 Energy: 0.5266639796897924 Energy: 0.5108879690667001 Energy: 0.5108879690225797 Energy: 0.5029312316725437 Energy: 0.5425385226705258 Energy: 0.5425413130176774 Energy: 0.5689866100418179 Energy: 0.5094483246470753 Energy: 0.5094483175647129 minimum gb energy = 0.5029312316725437 eV minimum distance = 2.43797161828844 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.5613723007824554 Energy: 0.5092647999925367 Energy: 0.5092647999610228 Energy: 0.4978421491304029 Energy: 0.5187893793878551 Energy: 0.5187894058178095 Energy: 0.4973957547296455 Energy: 0.5510430482767811 Energy: 0.5510429962044786 Energy: 0.5333861571363168 Energy: 0.5131671475211942 Energy: 0.5131672316097617 Energy: 0.6430780731386889 Energy: 0.5039108941038576 Energy: 0.503910897108642 Energy: 0.6049225930383404 Energy: 0.5471403000467931 Energy: 0.5466934047722402 Energy: 0.4973957547242762 Energy: 0.5510406531704015 Energy: 0.5510363990725061 Energy: 0.5267003027698289 Energy: 0.5388702680780988 Energy: 0.5388702538907171 Energy: 0.503910898824036 Energy: 0.5267708358491926 Energy: 0.5267704049181339 Energy: 0.497842148680268 Energy: 0.5685531077519484 Energy: 0.5685534025543224 minimum gb energy = 0.4973957547242762 eV minimum distance = 2.56339788524709 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5552055962426138 Energy: 0.5400678930328376 Energy: 0.5400679720985917 Energy: 0.6207285585965541 Energy: 0.5482545891560389 Energy: 0.5482549882286191 Energy: 0.5338451982661319 Energy: 0.5457924732853546 Energy: 0.5457931851545624 Energy: 0.4976018573635437 Energy: 0.5997872017402668 Energy: 0.5997829332868476 Energy: 0.6539899844395868 Energy: 0.5889081646236487 Energy: 0.5889082553417809 Energy: 0.5248508111047633 Energy: 0.5997828999150815 Energy: 0.5997866762219763 Energy: 0.5338451982408595 Energy: 0.5457929301753695 Energy: 0.5457930642008109 Energy: 0.5808274929535675 Energy: 0.5482542060386366 Energy: 0.5482541964646919 Energy: 0.5552055778198135 Energy: 0.5400679376284593 Energy: 0.5400678848000687 Energy: 0.5984334614218254 Energy: 0.5582556484581467 Energy: 0.5582548011114468 minimum gb energy = 0.4976018573635437 eV minimum distance = 2.47037759516185 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5765285978378859 Energy: 0.5684801085267956 Energy: 0.5684801356405575 Energy: 0.5345854803693897 Energy: 0.578926548703216 Energy: 0.5789293331246963 Energy: 0.527985419218865 Energy: 0.5611234093266863 Energy: 0.5611242357684657 Energy: 0.5543466908143377 Energy: 0.5316711143421274 Energy: 0.5316711142304709 Energy: 0.6393321498444998 Energy: 0.576528585570086 Energy: 0.5765285814823871 Energy: 0.5543466884469483 Energy: 0.5316711142135867 Energy: 0.5316711143410497 Energy: 0.5279854607757236 Energy: 0.5611240542142824 Energy: 0.5611266798587905 Energy: 0.5345854802368976 Energy: 0.5789254886446084 Energy: 0.578926237232781 Energy: 0.5765285814389196 Energy: 0.5684799861510763 Energy: 0.5684762531548746 Energy: 0.5345854802972163 Energy: 0.5789261714447903 Energy: 0.5789254653948402 minimum gb energy = 0.527985419218865 eV minimum distance = 2.44369676375558 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.5402415079709069 Energy: 0.5402415157456343 Energy: 0.5402415062812754 Energy: 0.556256711536965 Energy: 0.5395738410448293 Energy: 0.5395738406201301 Energy: 0.49295822537441614 Energy: 0.5601859471584058 Energy: 0.5601853991104645 Energy: 0.6280288772185585 Energy: 0.5395738406216752 Energy: 0.5395738406262754 Energy: 0.48155300925905303 Energy: 0.48155300701342185 Energy: 0.48155300813932767 Energy: 0.6271929895929773 Energy: 0.5395738409181992 Energy: 0.5395738517617241 Energy: 0.49295822529255956 Energy: 0.5601861535065207 Energy: 0.5601849207893944 Energy: 0.6280635296211958 Energy: 0.511603418464839 Energy: 0.5116034184679291 Energy: 0.5402415342186796 Energy: 0.5679865637053498 Energy: 0.5679880850429443 Energy: 0.5562567056835326 Energy: 0.5116034189946068 Energy: 0.5116034184756548 minimum gb energy = 0.48155300701342185 eV minimum distance = 2.58246018083616 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.565757235254646 Energy: 0.5453484149335114 Energy: 0.5453479966870949 Energy: 0.6388295294898091 Energy: 0.5714622550565012 Energy: 0.5714622769201793 Energy: 0.5468428697059284 Energy: 0.5615427798454095 Energy: 0.5615416606600075 Energy: 0.5530012341849105 Energy: 0.5585361464449032 Energy: 0.5585361502975836 Energy: 0.5539236749514659 Energy: 0.5952863191148785 Energy: 0.5952846675142486 Energy: 0.5478985345046202 Energy: 0.5605494411717034 Energy: 0.5605494525214239 Energy: 0.6706972659496447 Energy: 0.5722866379235786 Energy: 0.5722932674453187 Energy: 0.5597289012686663 Energy: 0.5743569805503577 Energy: 0.5743567075122884 Energy: 0.6455761976922656 Energy: 0.5538181194909412 Energy: 0.5538181337672229 Energy: 0.5536917932657498 Energy: 0.5484657970475059 Energy: 0.5484657968158789 minimum gb energy = 0.5453479966870949 eV minimum distance = 2.42610722751738 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5607261450154302 Energy: 0.559022999565648 Energy: 0.5590229170333159 Energy: 0.5213750444059083 Energy: 0.5648318299323125 Energy: 0.5648318086856359 Energy: 0.5131214037946447 Energy: 0.560171518603851 Energy: 0.5601714465761403 Energy: 0.5300602184445725 Energy: 0.5844639232578842 Energy: 0.5844660764482489 Energy: 0.5655131740619314 Energy: 0.5590440780132996 Energy: 0.559044045829315 Energy: 0.6120318482957067 Energy: 0.553583808901902 Energy: 0.5535838114167501 Energy: 0.6726837282575056 Energy: 0.5131293951513616 Energy: 0.5131954843478127 Energy: 0.6210690336578962 Energy: 0.509375652515949 Energy: 0.5093756561344575 Energy: 0.6258055986319249 Energy: 0.5664571916800183 Energy: 0.5664530458266386 Energy: 0.6027283517447536 Energy: 0.5688862889761866 Energy: 0.5688290896424915 minimum gb energy = 0.509375652515949 eV minimum distance = 2.54568395565066 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5293636163479558 Energy: 0.5828658329009466 Energy: 0.5828658561340005 Energy: 0.6550170913774218 Energy: 0.5502373236675537 Energy: 0.5502373428072151 Energy: 0.597226874124926 Energy: 0.5668312552372922 Energy: 0.5668311339211255 Energy: 0.544187533374248 Energy: 0.6258645213025728 Energy: 0.6259162262435369 Energy: 0.5972169495545279 Energy: 0.5800984722344886 Energy: 0.5800992804788734 Energy: 0.5441877197085544 Energy: 0.5537668742011184 Energy: 0.5537668103033381 Energy: 0.6687608539323816 Energy: 0.5974919350211865 Energy: 0.5974913198122603 Energy: 0.544187532904373 Energy: 0.5531518165597886 Energy: 0.5531516311149332 Energy: 0.615699121615728 Energy: 0.5471695483246781 Energy: 0.5471815432669376 Energy: 0.5416506396606212 Energy: 0.5472092789726961 Energy: 0.547193079699359 minimum gb energy = 0.5293636163479558 eV minimum distance = 2.53579138413569 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.5606812664289341 Energy: 0.5654350665400057 Energy: 0.5654350644792295 Energy: 0.5515101149994864 Energy: 0.5733821586919416 Energy: 0.5733099269490096 Energy: 0.5585933787812811 Energy: 0.5767372626205294 Energy: 0.5767372611053794 Energy: 0.5200988054229523 Energy: 0.5653240371457168 Energy: 0.56532404144991 Energy: 0.5606812337938276 Energy: 0.5621531797211072 Energy: 0.5621540737947984 Energy: 0.5360853944759372 Energy: 0.565549140983694 Energy: 0.5655491409665049 Energy: 0.5331398129691106 Energy: 0.5761496889335824 Energy: 0.5762040053956468 Energy: 0.5361226255523746 Energy: 0.5525793152375772 Energy: 0.5525785977754284 Energy: 0.5499096895938982 Energy: 0.5490959133884816 Energy: 0.5474053089196188 Energy: 0.5331398918710496 Energy: 0.5760328553461439 Energy: 0.5760920956367603 minimum gb energy = 0.5200988054229523 eV minimum distance = 2.42215250822101 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5124695240638386 Energy: 0.5464526199458704 Energy: 0.5464525531071559 Energy: 0.550269442384363 Energy: 0.5603350125306726 Energy: 0.5603350042957684 Energy: 0.5502700533492879 Energy: 0.5475162948284952 Energy: 0.547516291941743 Energy: 0.5458101364978276 Energy: 0.5315794561469592 Energy: 0.5315796983880636 Energy: 0.6378123897650053 Energy: 0.5124695346540264 Energy: 0.5124695248982108 Energy: 0.5703754170392513 Energy: 0.5681661730620653 Energy: 0.5681662142700958 Energy: 0.5857087552096646 Energy: 0.5179614754873372 Energy: 0.5179614796991002 Energy: 0.5966656100522486 Energy: 0.5603350541794592 Energy: 0.5603350618021841 Energy: 0.5124695683581513 Energy: 0.5240449297473513 Energy: 0.524048579285697 Energy: 0.545810136485125 Energy: 0.5636995642644012 Energy: 0.5636995636939589 minimum gb energy = 0.5124695240638386 eV minimum distance = 2.41898034576282 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5436901184132825 Energy: 0.5401625196523857 Energy: 0.5401611212791745 Energy: 0.5307756601820669 Energy: 0.5857540608499047 Energy: 0.5857477772213432 Energy: 0.5856878054907715 Energy: 0.5719647317023596 Energy: 0.5719662037278199 Energy: 0.5316207762274188 Energy: 0.561792802011277 Energy: 0.5617928484073124 Energy: 0.5331108676822224 Energy: 0.5566581980831535 Energy: 0.5566582508734119 Energy: 0.5481023843537284 Energy: 0.5850040179905452 Energy: 0.5850161373461467 Energy: 0.5623354629068542 Energy: 0.5359568952424537 Energy: 0.5359569371016752 Energy: 0.6576745732613404 Energy: 0.5343516672364036 Energy: 0.5343516785784213 Energy: 0.5641361267979438 Energy: 0.5596095926051182 Energy: 0.5604989515897011 Energy: 0.5432426094039924 Energy: 0.5776151725696859 Energy: 0.5776198862469415 minimum gb energy = 0.5307756601820669 eV minimum distance = 2.4168579809902 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.524572810591823 Energy: 0.5353073612165475 Energy: 0.5353073587238381 Energy: 0.5680172745787431 Energy: 0.5205590029200428 Energy: 0.5205590645913888 Energy: 0.5760641952183959 Energy: 0.5647663947708246 Energy: 0.5647664690416744 Energy: 0.5409608875629033 Energy: 0.5362915257417287 Energy: 0.5362913846512403 Energy: 0.5245728332718165 Energy: 0.541863247789687 Energy: 0.5418632478127546 Energy: 0.5894555061104999 Energy: 0.5436204919792796 Energy: 0.543620502782508 Energy: 0.5417880679276748 Energy: 0.5820418492498995 Energy: 0.5820418506953771 Energy: 0.5409608869645725 Energy: 0.5586244154695956 Energy: 0.5586243833009986 Energy: 0.6572153827487378 Energy: 0.5467390925968112 Energy: 0.5467390968043447 Energy: 0.5411793301799518 Energy: 0.5553965345643324 Energy: 0.5553965560662991 minimum gb energy = 0.5205590029200428 eV minimum distance = 2.52161532155683 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5472071341891339 Energy: 0.5432937282561936 Energy: 0.5432937418312159 Energy: 0.5377230657796133 Energy: 0.5597206906571456 Energy: 0.5597205892808297 Energy: 0.5604165582060063 Energy: 0.5377860451491333 Energy: 0.5377860451268083 Energy: 0.5396033900466441 Energy: 0.5549279374793394 Energy: 0.5549279340631686 Energy: 0.5389318025474581 Energy: 0.5632505517717611 Energy: 0.5632504560133988 Energy: 0.5540324077765844 Energy: 0.5584071058809771 Energy: 0.5584070851616951 Energy: 0.5323129853093398 Energy: 0.5447909193396513 Energy: 0.5447912356044502 Energy: 0.5559027374617065 Energy: 0.5743411432886808 Energy: 0.5743411433630523 Energy: 0.5679074611406931 Energy: 0.5751150737568094 Energy: 0.5751150706168369 Energy: 0.6576938588809148 Energy: 0.5870803704677027 Energy: 0.5870804113275312 minimum gb energy = 0.5323129853093398 eV minimum distance = 2.42123881766389 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5352294685152988 Energy: 0.5363884035975739 Energy: 0.5363883291643973 Energy: 0.5366757148096635 Energy: 0.5678818467167138 Energy: 0.5678818414714325 Energy: 0.5426658897610946 Energy: 0.5504670409745724 Energy: 0.5504650708456477 Energy: 0.5545773015445675 Energy: 0.5439784602769705 Energy: 0.5439783942244399 Energy: 0.6653751838067143 Energy: 0.5284396199442863 Energy: 0.5284396199317689 Energy: 0.563885287519978 Energy: 0.5390201711699851 Energy: 0.5390201713538854 Energy: 0.5244806237595158 Energy: 0.5595620754567168 Energy: 0.5596012665899737 Energy: 0.5558357265296062 Energy: 0.5215777563671823 Energy: 0.5215778562260788 Energy: 0.5329051493742804 Energy: 0.58829771723351 Energy: 0.5882977311476488 Energy: 0.5251949414143144 Energy: 0.5586381016582822 Energy: 0.5586379932873718 minimum gb energy = 0.5215777563671823 eV minimum distance = 2.5261098224752 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.531545454707984 Energy: 0.534671219805079 Energy: 0.5346712190836523 Energy: 0.5829867024219778 Energy: 0.5209548537989043 Energy: 0.5209548037792219 Energy: 0.5258758823921187 Energy: 0.5610426344385722 Energy: 0.5610426379717759 Energy: 0.6600087816552683 Energy: 0.5254500091254636 Energy: 0.525450018708271 Energy: 0.5356607078088667 Energy: 0.5688752784086821 Energy: 0.5688752784039045 Energy: 0.5747758630534835 Energy: 0.5239185793350833 Energy: 0.5239185042612269 Energy: 0.5297392166621222 Energy: 0.5614329729288854 Energy: 0.5614294853899267 Energy: 0.52860981135572 Energy: 0.5270826033925412 Energy: 0.5270825393232493 Energy: 0.5537500815637897 Energy: 0.5214015579067383 Energy: 0.521401551229865 Energy: 0.5220025909605285 Energy: 0.5579944305644492 Energy: 0.5580047251192172 minimum gb energy = 0.5209548037792219 eV minimum distance = 2.51980401533243 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5291019001683752 Energy: 0.5331548831581842 Energy: 0.5331547903350637 Energy: 0.5262433296404927 Energy: 0.5585953865858237 Energy: 0.5585953799884945 Energy: 0.5262814098287606 Energy: 0.5578969226035276 Energy: 0.5578969467132668 Energy: 0.5210158047251132 Energy: 0.547330112970815 Energy: 0.547330180256753 Energy: 0.5249840609878831 Energy: 0.5589866356394019 Energy: 0.5589867295353185 Energy: 0.5451706511184864 Energy: 0.5580354413370776 Energy: 0.558035417891201 Energy: 0.5631076210213453 Energy: 0.5240549165677395 Energy: 0.5240549211351069 Energy: 0.5654086726349827 Energy: 0.5256996955839789 Energy: 0.5256996676081962 Energy: 0.5300521577601166 Energy: 0.5256994800252707 Energy: 0.5256997870106234 Energy: 0.6022704977466025 Energy: 0.5283588981077808 Energy: 0.5283587448453996 minimum gb energy = 0.5210158047251132 eV minimum distance = 2.49966874856634 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.48916946485276835 Energy: 0.5154931738377524 Energy: 0.5154931738375538 Energy: 0.466219790644901 Energy: 0.4891694648464364 Energy: 0.4891694648536374 Energy: 0.48984722908950207 Energy: 0.5030450541935867 Energy: 0.5030450540714921 Energy: 0.48916946484882023 Energy: 0.4662226981457111 Energy: 0.4662226964390179 Energy: 0.4891694648468585 Energy: 0.4891694648551521 Energy: 0.48916946485733726 Energy: 0.489169464853414 Energy: 0.48928414640684426 Energy: 0.4892841464348041 Energy: 0.46622556280033256 Energy: 0.5030450540721377 Energy: 0.5030450540760858 Energy: 0.4891694698293985 Energy: 0.5029390047662639 Energy: 0.5029390047350263 Energy: 0.4891694668324798 Energy: 0.4891694656591593 Energy: 0.4891694664161859 Energy: 0.46622269644686465 Energy: 0.5030450540739007 Energy: 0.5030450540804562 minimum gb energy = 0.466219790644901 eV minimum distance = 2.59701580715199 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5017940339195294 Energy: 0.521727552083684 Energy: 0.5217275374961851 Energy: 0.4963890160043514 Energy: 0.5561817118201118 Energy: 0.556181713032758 Energy: 0.4947273839163572 Energy: 0.49943274012726047 Energy: 0.4994327400948082 Energy: 0.5021330685757136 Energy: 0.493918292267234 Energy: 0.4939182921787612 Energy: 0.5252149638905058 Energy: 0.5249359900514418 Energy: 0.5249359912379589 Energy: 0.6263872770966178 Energy: 0.49358666669432394 Energy: 0.49358666661875894 Energy: 0.49247037985652076 Energy: 0.5006355678794928 Energy: 0.5006355645202198 Energy: 0.5074458701276935 Energy: 0.49828031501041997 Energy: 0.49828028369882876 Energy: 0.5137981677052397 Energy: 0.4985604229112293 Energy: 0.4985603633540221 Energy: 0.5053915431705425 Energy: 0.5494134855334282 Energy: 0.5494134855621701 minimum gb energy = 0.49247037985652076 eV minimum distance = 2.54704606255091 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.49992742134599677 Energy: 0.5220733603247094 Energy: 0.5220732975484053 Energy: 0.491372418366514 Energy: 0.49218306716910765 Energy: 0.49218310175145447 Energy: 0.5477570872049583 Energy: 0.49046620219294185 Energy: 0.4904662101780378 Energy: 0.5192485813283798 Energy: 0.49791657347256674 Energy: 0.49791650854350394 Energy: 0.4951354147066997 Energy: 0.5517496533150127 Energy: 0.5517496606127372 Energy: 0.5658663251168949 Energy: 0.5131629946166935 Energy: 0.5131629949160346 Energy: 0.4921513424066035 Energy: 0.4947182432190685 Energy: 0.49471823989966185 Energy: 0.5067424279957017 Energy: 0.6141678018746927 Energy: 0.6141678497991674 Energy: 0.5036879812954856 Energy: 0.49471845949978777 Energy: 0.49471854733788867 Energy: 0.5123649874232996 Energy: 0.49221289928662065 Energy: 0.49221295441324125 minimum gb energy = 0.49046620219294185 eV minimum distance = 2.54778242473888 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.4976272363994072 Energy: 0.5225301340676572 Energy: 0.5225301340286973 Energy: 0.5213481491405518 Energy: 0.52618616873406 Energy: 0.5261861684331566 Energy: 0.5194690315421929 Energy: 0.5265094747029231 Energy: 0.5265095621457605 Energy: 0.490398565554587 Energy: 0.5255747348967542 Energy: 0.5255746068023999 Energy: 0.49791630957101385 Energy: 0.5167066009596459 Energy: 0.5167065753190156 Energy: 0.5431347290354926 Energy: 0.486857693397491 Energy: 0.4868576934083743 Energy: 0.4897822290517294 Energy: 0.4931039164731083 Energy: 0.4931042301390347 Energy: 0.4898829803217231 Energy: 0.5601806203188171 Energy: 0.5601805706274732 Energy: 0.5212449304990279 Energy: 0.4903985483574009 Energy: 0.4903985605123644 Energy: 0.4861318024898722 Energy: 0.5029315659260094 Energy: 0.5029314006733893 minimum gb energy = 0.4861318024898722 eV minimum distance = 2.51511759086728 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.494550212668055 Energy: 0.5229910655624641 Energy: 0.5229909964584349 Energy: 0.4987113316134545 Energy: 0.48872224590178615 Energy: 0.48872226272867175 Energy: 0.481184870244537 Energy: 0.4887223484276454 Energy: 0.4887222436167387 Energy: 0.5012421848440486 Energy: 0.4933877595321769 Energy: 0.49338774292633863 Energy: 0.5708552724489575 Energy: 0.4838595488652899 Energy: 0.4838587494135889 Energy: 0.6283325999247398 Energy: 0.4807447107837712 Energy: 0.48074470980324174 Energy: 0.559450822851263 Energy: 0.48118487648822345 Energy: 0.4811848708982305 Energy: 0.4909382597903752 Energy: 0.48385840850905437 Energy: 0.4838583964012175 Energy: 0.50494034103156 Energy: 0.4862276711471001 Energy: 0.4862275707402708 Energy: 0.4850576159491322 Energy: 0.5554059039003069 Energy: 0.5554059104651343 minimum gb energy = 0.48074470980324174 eV minimum distance = 2.53115550654063 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.49013954753220035 Energy: 0.5218408177647924 Energy: 0.5218408176369712 Energy: 0.538127144107912 Energy: 0.480529054497852 Energy: 0.4805289088805642 Energy: 0.4845997549659197 Energy: 0.5915675311875369 Energy: 0.5915675667225647 Energy: 0.6378349627810627 Energy: 0.48214839836675616 Energy: 0.4821483975864961 Energy: 0.5022006226225884 Energy: 0.5818464765800753 Energy: 0.5818463275019744 Energy: 0.6475079073266985 Energy: 0.492153925061188 Energy: 0.4921539255367158 Energy: 0.4888756647142493 Energy: 0.5818462019971543 Energy: 0.5818462649806754 Energy: 0.5724785158724104 Energy: 0.5131373486150106 Energy: 0.5131373520419126 Energy: 0.48214839767555767 Energy: 0.5854984543641425 Energy: 0.5854983732999319 Energy: 0.5938814102155325 Energy: 0.4780378305045293 Energy: 0.4780378322358449 minimum gb energy = 0.4780378305045293 eV minimum distance = 2.55257122922292 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.49246749544307644 Energy: 0.4791537527266425 Energy: 0.4791536513875545 Energy: 0.5203452426727366 Energy: 0.4818702742375316 Energy: 0.48187025193210725 Energy: 0.4870083033584304 Energy: 0.4840870764764586 Energy: 0.48408693758922317 Energy: 0.4791536494265759 Energy: 0.47867760308529433 Energy: 0.47867761860820296 Energy: 0.5494516589897244 Energy: 0.5133076598291152 Energy: 0.513307660180666 Energy: 0.49062543645301604 Energy: 0.583216906423147 Energy: 0.583232001560525 Energy: 0.5399345041086557 Energy: 0.5238995761928148 Energy: 0.5238995694637272 Energy: 0.47430817397200997 Energy: 0.5627895905757778 Energy: 0.5627895925434069 Energy: 0.48247631341145075 Energy: 0.47864182929163673 Energy: 0.47864182593043414 Energy: 0.4854009737629907 Energy: 0.49466897812590443 Energy: 0.4946689689081442 minimum gb energy = 0.47430817397200997 eV minimum distance = 2.51662601776113 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.47084591172621326 Energy: 0.47084594988349293 Energy: 0.4708459341292416 Energy: 0.45767763254886323 Energy: 0.49203986182938486 Energy: 0.4920398675225035 Energy: 0.46826333006388265 Energy: 0.49953219683602773 Energy: 0.49953209591638853 Energy: 0.4576776660575066 Energy: 0.5906903945809179 Energy: 0.5906903946495926 Energy: 0.47084596083416097 Energy: 0.477443305783235 Energy: 0.47744334681177475 Energy: 0.6434733574367131 Energy: 0.4580574836291046 Energy: 0.4580573085542408 Energy: 0.5202151858582867 Energy: 0.45805730426242436 Energy: 0.4580575087250023 Energy: 0.47084591172621326 Energy: 0.45805734587391955 Energy: 0.45805730689328444 Energy: 0.45767763572668446 Energy: 0.5197890840958925 Energy: 0.5197890102279368 Energy: 0.46826332945076055 Energy: 0.4995320942655067 Energy: 0.49953210690223204 minimum gb energy = 0.45767763254886323 eV minimum distance = 2.53232139376022 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.4798593847664746 Energy: 0.48314165275570925 Energy: 0.4831416527688333 Energy: 0.469574552770617 Energy: 0.4994235691676263 Energy: 0.49942356081382117 Energy: 0.4706138941402416 Energy: 0.5588731285164433 Energy: 0.5588731241854853 Energy: 0.5196658810573007 Energy: 0.4677478348543223 Energy: 0.467747831983342 Energy: 0.5644379015267162 Energy: 0.4605382640616999 Energy: 0.46053826407322357 Energy: 0.5292086335419404 Energy: 0.47436241229794146 Energy: 0.47436241202213136 Energy: 0.47436241206243496 Energy: 0.469210822246116 Energy: 0.46921082224323507 Energy: 0.4576664677245487 Energy: 0.563955408084454 Energy: 0.5639554238731144 Energy: 0.46749888966621783 Energy: 0.4938175436169917 Energy: 0.49381754388127824 Energy: 0.4592140103329493 Energy: 0.5710135832026129 Energy: 0.5710135832826089 minimum gb energy = 0.4576664677245487 eV minimum distance = 2.5203751719875 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.4731312749074833 Energy: 0.6210576065328132 Energy: 0.6210575719215876 Energy: 0.4631940928842061 Energy: 0.5265293893604135 Energy: 0.5265292068077514 Energy: 0.4934370324783146 Energy: 0.4630521064331625 Energy: 0.4630521060531919 Energy: 0.49033756370123366 Energy: 0.46210746053678614 Energy: 0.46749429915711543 Energy: 0.4641251445878498 Energy: 0.5213729024764979 Energy: 0.5213729024904349 Energy: 0.4628936786709279 Energy: 0.5611028428223713 Energy: 0.5611032721449879 Energy: 0.4641251446220331 Energy: 0.4678582541660154 Energy: 0.4678582536550562 Energy: 0.5815271901018555 Energy: 0.4749588160749956 Energy: 0.4749585432301591 Energy: 0.4564142168587606 Energy: 0.464551273044708 Energy: 0.4645512730390108 Energy: 0.45897624730484626 Energy: 0.6167160112666096 Energy: 0.6167160130402295 minimum gb energy = 0.4564142168587606 eV minimum distance = 2.61223046380832 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.49440985466710274 Energy: 0.47350306874114273 Energy: 0.473503068828391 Energy: 0.4953237139587556 Energy: 0.4583801930585435 Energy: 0.4583801880567777 Energy: 0.4546467116301646 Energy: 0.6124521160774262 Energy: 0.6124521161040334 Energy: 0.518108575765465 Energy: 0.44921802612891315 Energy: 0.4492180025519975 Energy: 0.44799908354999873 Energy: 0.6057596953133908 Energy: 0.6057617261460646 Energy: 0.5916610949796576 Energy: 0.44623463396492824 Energy: 0.4462347151488025 Energy: 0.4567908718960152 Energy: 0.5852356521777293 Energy: 0.5852356535191238 Energy: 0.513747813909548 Energy: 0.4575610403825839 Energy: 0.45756105157284116 Energy: 0.45465174009196857 Energy: 0.4471807460838129 Energy: 0.4471807468490831 Energy: 0.5954723939454026 Energy: 0.4527697229996219 Energy: 0.45276972314570557 minimum gb energy = 0.44623463396492824 eV minimum distance = 2.54319937925962 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.48697296405723417 Energy: 0.5852066886073128 Energy: 0.5852069775941785 Energy: 0.4493694110996029 Energy: 0.5499881113289011 Energy: 0.5499881113505992 Energy: 0.45559233336639354 Energy: 0.45283881069339815 Energy: 0.452838810606232 Energy: 0.4990140519656268 Energy: 0.4591737547013036 Energy: 0.459173754680166 Energy: 0.4484633809793953 Energy: 0.44963233103357186 Energy: 0.44963233103621403 Energy: 0.45410412309238124 Energy: 0.5203098356801682 Energy: 0.5203098348021549 Energy: 0.45146085824273496 Energy: 0.4815978186568869 Energy: 0.481597817560558 Energy: 0.44686847708308264 Energy: 0.5355412662246576 Energy: 0.5355412651638517 Energy: 0.47990040964582864 Energy: 0.45910621320934714 Energy: 0.4591062201851997 Energy: 0.5420305129042216 Energy: 0.4489075783041913 Energy: 0.44890765527887627 minimum gb energy = 0.44686847708308264 eV minimum distance = 2.53787241017988 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4119884631494961 Energy: 0.41198846259954514 Energy: 0.4119884625683763 Energy: 0.43557681748617216 Energy: 0.41198846261174166 Energy: 0.41198846319689614 Energy: 0.41598410972472394 Energy: 0.4260076313366036 Energy: 0.4260076331110856 Energy: 0.4218662902810627 Energy: 0.4260076322671868 Energy: 0.42600763157364985 Energy: 0.4218662905424866 Energy: 0.4260076313379588 Energy: 0.42600763214121795 Energy: 0.6204337555027137 Energy: 0.4218662896728704 Energy: 0.4218662897012981 Energy: 0.4218662904571727 Energy: 0.4515538601506317 Energy: 0.45155385996503555 Energy: 0.41198846338652695 Energy: 0.48626408089910855 Energy: 0.48626408408910754 Energy: 0.41198846284606216 Energy: 0.4260076312634554 Energy: 0.42600763167524114 Energy: 0.4218662896769359 Energy: 0.42600763983785206 Energy: 0.4260076312580348 minimum gb energy = 0.4119884625683763 eV minimum distance = 2.57174646432792 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5146528028083691 Energy: 0.43544201114971043 Energy: 0.4354420622432081 Energy: 0.4215469864219962 Energy: 0.5076479093820948 Energy: 0.5076479093558276 Energy: 0.42624270211680804 Energy: 0.5063208572337272 Energy: 0.506320698918649 Energy: 0.4235512872770778 Energy: 0.47060584685863716 Energy: 0.47060584695963226 Energy: 0.4186261966596999 Energy: 0.42505681209875734 Energy: 0.4250568123814032 Energy: 0.41728284551452416 Energy: 0.42234277396243347 Energy: 0.4223427739553259 Energy: 0.4162234962125431 Energy: 0.42234277399086384 Energy: 0.42234277395285363 Energy: 0.5152461434365028 Energy: 0.4240125969278684 Energy: 0.42401259925842544 Energy: 0.5145538754772236 Energy: 0.4223427739009655 Energy: 0.42234277399117276 Energy: 0.5262126272732739 Energy: 0.4196956496331707 Energy: 0.4196956775334989 minimum gb energy = 0.4162234962125431 eV minimum distance = 2.55599051891107 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4351349120769034 Energy: 0.4299745855219877 Energy: 0.4299744561271892 Energy: 0.42693623784012574 Energy: 0.4235950877106702 Energy: 0.42359506583071527 Energy: 0.4158952723612008 Energy: 0.41699225249756194 Energy: 0.4169922523251113 Energy: 0.40789559074770415 Energy: 0.4573319892958641 Energy: 0.4573319892786518 Energy: 0.5382392469451642 Energy: 0.4116976167882184 Energy: 0.4116976214939146 Energy: 0.41589525858024395 Energy: 0.44613304806746457 Energy: 0.4461329995818806 Energy: 0.41401905259644917 Energy: 0.410946647174248 Energy: 0.4109466467761265 Energy: 0.47302765363254723 Energy: 0.4164513875805383 Energy: 0.416451353275197 Energy: 0.4177839381579377 Energy: 0.4528015661289088 Energy: 0.45280142738716417 Energy: 0.41021996118551607 Energy: 0.4235950605160559 Energy: 0.4235951101359611 minimum gb energy = 0.40789559074770415 eV minimum distance = 2.55131067718024 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.42311077112692747 Energy: 0.4072860857351913 Energy: 0.4072860857005433 Energy: 0.4043434927903102 Energy: 0.412822812219485 Energy: 0.412822812226869 Energy: 0.4076754651105733 Energy: 0.4128228287994291 Energy: 0.41282281234666535 Energy: 0.40728608577378944 Energy: 0.4142251849804404 Energy: 0.41422518547095993 Energy: 0.49504384723036127 Energy: 0.4142251852342331 Energy: 0.4142251850389186 Energy: 0.4043434922747986 Energy: 0.412822812201877 Energy: 0.41282281225410716 Energy: 0.41057885310444 Energy: 0.4406372339767834 Energy: 0.44063723332673327 Energy: 0.581610866976176 Energy: 0.41422518520583307 Energy: 0.4142251846165073 Energy: 0.40839433516492546 Energy: 0.40680435771671564 Energy: 0.40680435775363566 Energy: 0.41057885310444 Energy: 0.4340577568270647 Energy: 0.434057756895741 minimum gb energy = 0.4043434922747986 eV minimum distance = 2.57713719990694 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5065653147354316 Energy: 0.40226668238409263 Energy: 0.4022666959269798 Energy: 0.3979672751992303 Energy: 0.4043982321868128 Energy: 0.40439823298826544 Energy: 0.39528125050567503 Energy: 0.4546032976845337 Energy: 0.45460334364616506 Energy: 0.3969345236094898 Energy: 0.40278302600064475 Energy: 0.4027830327099407 Energy: 0.3946248863889273 Energy: 0.4000680019090155 Energy: 0.40006800103790396 Energy: 0.49995263804313256 Energy: 0.4061070225841482 Energy: 0.4061070202874954 Energy: 0.3996956449961941 Energy: 0.43361889101107237 Energy: 0.43361889102687873 Energy: 0.6113139182771311 Energy: 0.3991263820231504 Energy: 0.3991263170718499 Energy: 0.402240977986611 Energy: 0.44090155327769176 Energy: 0.4409016176405004 Energy: 0.3952812508015538 Energy: 0.430554683448312 Energy: 0.43055468193982016 minimum gb energy = 0.3946248863889273 eV minimum distance = 2.56133360059407 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.4833049447826915 Energy: 0.41172686868632097 Energy: 0.41172686949107534 Energy: 0.40047402937537013 Energy: 0.40569827285433163 Energy: 0.4056982656028982 Energy: 0.47431290700443035 Energy: 0.40493202317840066 Energy: 0.4049320232831382 Energy: 0.40258099336806036 Energy: 0.42790359558259505 Energy: 0.42790359580209963 Energy: 0.47200821010105193 Energy: 0.3979532526979791 Energy: 0.39795331688222274 Energy: 0.39841804712755163 Energy: 0.47014449280345705 Energy: 0.47014473516178845 Energy: 0.3989975985332466 Energy: 0.4009539899995957 Energy: 0.4009540590956108 Energy: 0.5610171729149983 Energy: 0.4020066415804381 Energy: 0.4020066330694806 Energy: 0.40103020169052545 Energy: 0.401355246189421 Energy: 0.4013552425432391 Energy: 0.47431289454869613 Energy: 0.4049320231014595 Energy: 0.40493202320619703 minimum gb energy = 0.3979532526979791 eV minimum distance = 2.54580588725663 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4591700141271551 Energy: 0.525153195669614 Energy: 0.5251531814895601 Energy: 0.38461983252551457 Energy: 0.5301077622858209 Energy: 0.5301080002260632 Energy: 0.37932552588714025 Energy: 0.37441941773995424 Energy: 0.374419417738977 Energy: 0.3853867984078885 Energy: 0.42590163375354656 Energy: 0.42590163353671384 Energy: 0.38080401183755797 Energy: 0.38461983279023115 Energy: 0.3846198386851576 Energy: 0.38938666277930956 Energy: 0.38468232993423757 Energy: 0.38468233011395797 Energy: 0.43990217802032 Energy: 0.3846823299410781 Energy: 0.3846823336870666 Energy: 0.45917001705069854 Energy: 0.38468232993423757 Energy: 0.3846823299273969 Energy: 0.43990217176886226 Energy: 0.4259016335220555 Energy: 0.42590163618965504 Energy: 0.3793255258851858 Energy: 0.3846823304323997 Energy: 0.38468232992251084 minimum gb energy = 0.374419417738977 eV minimum distance = 2.57711779375892 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.4654763420375696 Energy: 0.38179356440029855 Energy: 0.38179354024320944 Energy: 0.3738295959465333 Energy: 0.3850357026460908 Energy: 0.38503596334035983 Energy: 0.4735683360626191 Energy: 0.3809602535549497 Energy: 0.3809601248262493 Energy: 0.3700052624907974 Energy: 0.42040261785477523 Energy: 0.4204026178574565 Energy: 0.3784030041902419 Energy: 0.4090236197769541 Energy: 0.40902361973167145 Energy: 0.3850357751900215 Energy: 0.4029195273667421 Energy: 0.4029195274808153 Energy: 0.37255404767455813 Energy: 0.3839752375844075 Energy: 0.38397519755478315 Energy: 0.5991559528050724 Energy: 0.37615885478731986 Energy: 0.3761588548180048 Energy: 0.3735555250704537 Energy: 0.38133307956320933 Energy: 0.3813330795709551 Energy: 0.37375530337095975 Energy: 0.38849935425417886 Energy: 0.3884993542887096 minimum gb energy = 0.3700052624907974 eV minimum distance = 2.54666557737789 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.4855428244699118 Energy: 0.3731021625076809 Energy: 0.3731021606996076 Energy: 0.3614248342628912 Energy: 0.3815816630147263 Energy: 0.3815816630678459 Energy: 0.5131817539363517 Energy: 0.3689282893428972 Energy: 0.368928288718357 Energy: 0.3693977517098489 Energy: 0.3744600594088792 Energy: 0.3744600594088792 Energy: 0.36939775546392734 Energy: 0.5091247608536125 Energy: 0.5091247611037635 Energy: 0.36421080603540695 Energy: 0.38158166485877754 Energy: 0.3815816636418377 Energy: 0.5184493805448768 Energy: 0.36194144561955316 Energy: 0.36194144558657504 Energy: 0.48554282882408417 Energy: 0.37446005956779005 Energy: 0.37446005936904436 Energy: 0.36142483450018603 Energy: 0.38250113692323384 Energy: 0.38250121515851443 Energy: 0.36421077234089577 Energy: 0.4759473344364576 Energy: 0.4759447866073935 minimum gb energy = 0.3614248342628912 eV minimum distance = 2.57053411920798 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5151806911273243 Energy: 0.5862086562057184 Energy: 0.5862095548063319 Energy: 0.46066048638893725 Energy: 0.37120560069457 Energy: 0.3712056111342571 Energy: 0.367253678853191 Energy: 0.6027330601190587 Energy: 0.6027323699684993 Energy: 0.46662286035371403 Energy: 0.36314811969019384 Energy: 0.3631480630607814 Energy: 0.3665224257771529 Energy: 0.4001894535907035 Energy: 0.400188830144948 Energy: 0.5454896002850321 Energy: 0.36497455172698284 Energy: 0.3649746352977197 Energy: 0.365129619013702 Energy: 0.3911307428003007 Energy: 0.39113070540172545 Energy: 0.5930238766099117 Energy: 0.3649745679603754 Energy: 0.36497462068796566 Energy: 0.36512957004028973 Energy: 0.48383019437562713 Energy: 0.4838303660215755 Energy: 0.4332868224946003 Energy: 0.36447964345675415 Energy: 0.3644796484426321 minimum gb energy = 0.3631480630607814 eV minimum distance = 2.55980311926221 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.3683917792727896 Energy: 0.3506424299474859 Energy: 0.3506424303204605 Energy: 0.34801078801982716 Energy: 0.35719680849686136 Energy: 0.35719680589970576 Energy: 0.4645848727977591 Energy: 0.3506424290748996 Energy: 0.3506424296065262 Energy: 0.35064242950815777 Energy: 0.4726049338998479 Energy: 0.47260490998320664 Energy: 0.35064243374060194 Energy: 0.4646519880648109 Energy: 0.46465198454779244 Energy: 0.34402915941675977 Energy: 0.45687585623486343 Energy: 0.45687587197641466 Energy: 0.3480107891578626 Energy: 0.350642430386051 Energy: 0.3506424309466748 Energy: 0.368391776983781 Energy: 0.4793809490413477 Energy: 0.4793802867963817 Energy: 0.34801078802059027 Energy: 0.4590879730191724 Energy: 0.45908803565732087 Energy: 0.3413755236640489 Energy: 0.3480107880282211 Energy: 0.3480107880175379 minimum gb energy = 0.3413755236640489 eV minimum distance = 2.56935408082261 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.4424257210115406 Energy: 0.5391545765299944 Energy: 0.5391492335586117 Energy: 0.33305845716778326 Energy: 0.35090664380748926 Energy: 0.350906628108929 Energy: 0.3369411343119318 Energy: 0.35090662873537 Energy: 0.35090662803470246 Energy: 0.531785603540137 Energy: 0.3465830187309964 Energy: 0.34658302327038093 Energy: 0.4254922853165081 Energy: 0.3465830187742822 Energy: 0.34658301876603137 Energy: 0.3420948440673467 Energy: 0.5395489505641637 Energy: 0.539567759938017 Energy: 0.3413685581486051 Energy: 0.4283253031900096 Energy: 0.4283132388445753 Energy: 0.520227742265312 Energy: 0.350906628177655 Energy: 0.35090662803057693 Energy: 0.381467650301167 Energy: 0.33661673663763314 Energy: 0.33661673670360887 Energy: 0.3340301712189144 Energy: 0.34264855238108455 Energy: 0.34264855238899167 minimum gb energy = 0.33305845716778326 eV minimum distance = 2.56647382373956 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.48538907021941435 Energy: 0.5173620084165463 Energy: 0.5173633946282491 Energy: 0.41423374933357454 Energy: 0.32670456375951773 Energy: 0.32670455943537413 Energy: 0.323259582282862 Energy: 0.4330535478827454 Energy: 0.4330343586724941 Energy: 0.3225253058494598 Energy: 0.33281014188863195 Energy: 0.3328101420680949 Energy: 0.3232595669060944 Energy: 0.4330213816742747 Energy: 0.43303038007122785 Energy: 0.32325955677831164 Energy: 0.3328101418955136 Energy: 0.3328101416416323 Energy: 0.3217973498056996 Energy: 0.33281014206997167 Energy: 0.33281014196617836 Energy: 0.48538907618878174 Energy: 0.4330221272396319 Energy: 0.4330510382694378 Energy: 0.4787240531989626 Energy: 0.33281014191991215 Energy: 0.3328101419749368 Energy: 0.3232595717911201 Energy: 0.5339300678589999 Energy: 0.5339305745867918 minimum gb energy = 0.3217973498056996 eV minimum distance = 2.59913377987928 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.4713427055740806 Energy: 0.5032286097862874 Energy: 0.5032286094779757 Energy: 0.3811430284337084 Energy: 0.3271915293156894 Energy: 0.32719151397556734 Energy: 0.3135196867553384 Energy: 0.4202536632278249 Energy: 0.42025360451847765 Energy: 0.3207626494199796 Energy: 0.4202537080705816 Energy: 0.4202536739141104 Energy: 0.5421236283051752 Energy: 0.3186681015070046 Energy: 0.3186680989338804 Energy: 0.3168017978499411 Energy: 0.5016810959720078 Energy: 0.5016818464652851 Energy: 0.3106208777494072 Energy: 0.40440304026926355 Energy: 0.40440304022768586 Energy: 0.5388121874011229 Energy: 0.3270620545223502 Energy: 0.3270620553325422 Energy: 0.31595612924569616 Energy: 0.4237701886413917 Energy: 0.42376779725296443 Energy: 0.3111698871047401 Energy: 0.3621665597223753 Energy: 0.3621665602021886 minimum gb energy = 0.3106208777494072 eV minimum distance = 2.4812444293064 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.4447764979286948 Energy: 0.4783368864851367 Energy: 0.47833722098290027 Energy: 0.3077337132814934 Energy: 0.40584021508573637 Energy: 0.40583788875393095 Energy: 0.30210137292358696 Energy: 0.3798334653035116 Energy: 0.37983345741412367 Energy: 0.370328367195063 Energy: 0.30862371303552133 Energy: 0.3086237152879597 Energy: 0.3021014233891712 Energy: 0.30773359085303165 Energy: 0.30773358794583433 Energy: 0.30210136251898984 Energy: 0.40583879177327625 Energy: 0.40583716004038645 Energy: 0.3077336863548558 Energy: 0.48011856592145 Energy: 0.48011849731600686 Energy: 0.4447764966032776 Energy: 0.41136430020112263 Energy: 0.41136430035264704 Energy: 0.383627496630005 Energy: 0.31301183127613647 Energy: 0.3130118338421749 Energy: 0.3376208299890296 Energy: 0.30120727862828073 Energy: 0.30120727714873746 minimum gb energy = 0.30120727714873746 eV minimum distance = 2.56419541205555 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.4905265859919359 Energy: 0.4721217446002918 Energy: 0.4721220343388248 Energy: 0.2955481435104842 Energy: 0.5091868616145016 Energy: 0.5091877550856417 Energy: 0.2960847475758409 Energy: 0.4703227327705012 Energy: 0.47032583300164915 Energy: 0.3604824982394931 Energy: 0.47579195116558504 Energy: 0.4758006578379388 Energy: 0.36048245445242916 Energy: 0.3074599806390454 Energy: 0.30746022346568025 Energy: 0.29463846026549556 Energy: 0.30746101193260833 Energy: 0.30746015377698627 Energy: 0.2933488166244197 Energy: 0.30746088361510765 Energy: 0.3074600292708353 Energy: 0.5375706806164506 Energy: 0.3066041289133101 Energy: 0.30660411001419274 Energy: 0.3721050916991525 Energy: 0.36896064965323383 Energy: 0.3689606452882945 Energy: 0.294038075407988 Energy: 0.30906298772494784 Energy: 0.30906299026419176 minimum gb energy = 0.2933488166244197 eV minimum distance = 2.57472337794267 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4166643817063075 Energy: 0.45549705911530386 Energy: 0.4554986356036409 Energy: 0.29565417318213033 Energy: 0.4443605005329119 Energy: 0.44436081789165977 Energy: 0.27412322661436195 Energy: 0.3934502591763822 Energy: 0.39345026013478906 Energy: 0.27526643584691507 Energy: 0.29565417143670236 Energy: 0.2956541885730309 Energy: 0.34199738617223135 Energy: 0.296795038320843 Energy: 0.29679503943176927 Energy: 0.2741232332694105 Energy: 0.2956541659532536 Energy: 0.2956541652098782 Energy: 0.3901742965360471 Energy: 0.4534952665474333 Energy: 0.45349585081982435 Energy: 0.4166643327255146 Energy: 0.2956541641232923 Energy: 0.2956541637617169 Energy: 0.29565425477700474 Energy: 0.4304336338025653 Energy: 0.43043162992522194 Energy: 0.28311344020183715 Energy: 0.44436112828016616 Energy: 0.4443594082226365 minimum gb energy = 0.27412322661436195 eV minimum distance = 2.56188959145181 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.4328577482155579 Energy: 0.42899123598549666 Energy: 0.42899028801244327 Energy: 0.4553684962017878 Energy: 0.2733876320435785 Energy: 0.27338763206670746 Energy: 0.26469949216739874 Energy: 0.35612749698155655 Energy: 0.3561264843302823 Energy: 0.264699321742918 Energy: 0.42803371822269254 Energy: 0.42803329259284284 Energy: 0.25937649261437823 Energy: 0.33250334697999756 Energy: 0.33250334651599933 Energy: 0.269915839888805 Energy: 0.41713456976730307 Energy: 0.4171356671994655 Energy: 0.41964459592997755 Energy: 0.27982932499000124 Energy: 0.27982931989539045 Energy: 0.4740344071193745 Energy: 0.4301894385549503 Energy: 0.4301886459512887 Energy: 0.36682803862602675 Energy: 0.4362135549554883 Energy: 0.43621101479082913 Energy: 0.32231160434129347 Energy: 0.3258407236823787 Energy: 0.32584074962066706 minimum gb energy = 0.25937649261437823 eV minimum distance = 2.54715892943549 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.44485305859529106 Energy: 0.4075859894356014 Energy: 0.4075846318193891 Energy: 0.3929306428924509 Energy: 0.3938938612279169 Energy: 0.393894464031922 Energy: 0.24916083400171962 Energy: 0.26573253375706596 Energy: 0.26573253364963 Energy: 0.25653852998295323 Energy: 0.40154273576658056 Energy: 0.40154357431872495 Energy: 0.24972979691970346 Energy: 0.40635036468735936 Energy: 0.4063466619998311 Energy: 0.30309076880618857 Energy: 0.353156607742356 Energy: 0.3531566022614705 Energy: 0.2657325336318341 Energy: 0.39388682826692195 Energy: 0.39388768930966833 Energy: 0.4442012659169985 Energy: 0.3998952242068877 Energy: 0.39989523768478685 Energy: 0.337225226007796 Energy: 0.25596927746806414 Energy: 0.2559692774230625 Energy: 0.25653852108528014 Energy: 0.41404101452613845 Energy: 0.4140421091313261 minimum gb energy = 0.24916083400171962 eV minimum distance = 2.62137627433821 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4433372486017624 Energy: 0.38889155855805707 Energy: 0.38889133091429884 Energy: 0.3460448988547496 Energy: 0.4466282429307936 Energy: 0.4466224476349781 Energy: 0.24397924492956335 Energy: 0.4300235843640247 Energy: 0.43002951513414833 Energy: 0.242289451165132 Energy: 0.374746203269908 Energy: 0.3747411448578938 Energy: 0.24228933175791198 Energy: 0.3756747544243549 Energy: 0.37567865769859177 Energy: 0.24397922894921587 Energy: 0.39362662012858607 Energy: 0.39361513632633266 Energy: 0.3465099439035682 Energy: 0.3881032314371788 Energy: 0.38807839953443735 Energy: 0.4737901200707078 Energy: 0.323891119245367 Energy: 0.32389112070468856 Energy: 0.3465099438687584 Energy: 0.3832399363419428 Energy: 0.3832422468237566 Energy: 0.2572290405549817 Energy: 0.3756816366790382 Energy: 0.3756784324136816 minimum gb energy = 0.24228933175791198 eV minimum distance = 2.55590493817122 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.3984746329633187 Energy: 0.3726872117097028 Energy: 0.3726827884727912 Energy: 0.3112173982367975 Energy: 0.36232691647243614 Energy: 0.3623271213549237 Energy: 0.468020729399937 Energy: 0.2357231020465624 Energy: 0.23572288639432165 Energy: 0.2266616508364273 Energy: 0.3595366877094837 Energy: 0.359536605456053 Energy: 0.236046239302928 Energy: 0.3658081625058705 Energy: 0.36582947336729915 Energy: 0.2304835728992256 Energy: 0.3506728860407004 Energy: 0.35066446180900646 Energy: 0.32476620182570604 Energy: 0.23280659416302316 Energy: 0.2328067979867382 Energy: 0.45758439285726127 Energy: 0.3719241385617846 Energy: 0.3719241071714265 Energy: 0.3112173982485035 Energy: 0.4093968892949569 Energy: 0.4093968628008962 Energy: 0.2301597757264755 Energy: 0.3719239544907167 Energy: 0.37192403944041275 minimum gb energy = 0.2266616508364273 eV minimum distance = 2.61198428403404 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.44297740949624037 Energy: 0.3585548318138767 Energy: 0.3585597794531958 Energy: 0.26077649233466743 Energy: 0.22734039581701454 Energy: 0.2273403710408703 Energy: 0.22485214119099348 Energy: 0.3553769548224773 Energy: 0.3554219963031286 Energy: 0.21599758537689107 Energy: 0.3295758371786241 Energy: 0.32957579052552105 Energy: 0.22485211924689782 Energy: 0.3403378763025373 Energy: 0.34033802889732545 Energy: 0.22026091278190427 Energy: 0.3369143163750751 Energy: 0.33691331015116543 Energy: 0.2935030769240616 Energy: 0.34798480377926966 Energy: 0.34798817083465095 Energy: 0.41105061937571463 Energy: 0.34902333905131333 Energy: 0.34902839959440973 Energy: 0.35960587312176817 Energy: 0.3577168120074635 Energy: 0.3577142527488068 Energy: 0.2223225952783287 Energy: 0.34395814717076983 Energy: 0.34395825541443903 minimum gb energy = 0.21599758537689107 eV minimum distance = 2.60318010373485 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.4217656288807865 Energy: 0.3453448275632263 Energy: 0.3453042169803823 Energy: 0.28361134319462533 Energy: 0.3279471205962368 Energy: 0.3279470784316021 Energy: 0.2510280245981209 Energy: 0.3296729668002311 Energy: 0.32967231001490743 Energy: 0.20816117872770618 Energy: 0.32629331610037837 Energy: 0.32629330559876824 Energy: 0.21197517666579713 Energy: 0.3313741997786536 Energy: 0.33134376221171025 Energy: 0.21541803321028327 Energy: 0.3686523734143634 Energy: 0.368652352947988 Energy: 0.28361076674954944 Energy: 0.3246833406755216 Energy: 0.3246833367067276 Energy: 0.30062979269656315 Energy: 0.3296722576994136 Energy: 0.32967233979155736 Energy: 0.2960037660662961 Energy: 0.2173977651976226 Energy: 0.21739776666623908 Energy: 0.27186730388919206 Energy: 0.31797762739346536 Energy: 0.31797746923374676 minimum gb energy = 0.20816117872770618 eV minimum distance = 2.54726863311501 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.40328440499752966 Energy: 0.33330543399376694 Energy: 0.33333995992995824 Energy: 0.27487360783908404 Energy: 0.31374295148412584 Energy: 0.31374310170197817 Energy: 0.2071953177749146 Energy: 0.325115627949799 Energy: 0.3251169286389364 Energy: 0.20458186914182522 Energy: 0.32485010344836196 Energy: 0.32485097068157104 Energy: 0.20270937831376426 Energy: 0.31374314885793336 Energy: 0.31374313360980743 Energy: 0.32565548547620826 Energy: 0.21101931345279124 Energy: 0.21101931448820188 Energy: 0.25134179886167296 Energy: 0.25604322654859624 Energy: 0.25604589830977126 Energy: 0.2943844043563968 Energy: 0.3262774283820225 Energy: 0.3262917850087608 Energy: 0.326914361204288 Energy: 0.31999393488804473 Energy: 0.3199949511251375 Energy: 0.21101931261490267 Energy: 0.34869009679501467 Energy: 0.3486900901016047 minimum gb energy = 0.20270937831376426 eV minimum distance = 2.5980221915781 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.011648314185397452 Energy: 0.01164831418747831 Energy: 0.011648314193701251 Energy: 0.011648314200611269 Energy: 0.5367450915197365 Energy: 0.5367450915207769 Energy: 0.011648314185063732 Energy: 0.17414695291152477 Energy: 0.17414695291566684 Energy: 0.011648314200944993 Energy: 0.5367450915180089 Energy: 0.5367450915194026 Energy: 0.011648314197489984 Energy: 0.5367450915204235 Energy: 0.5367450915197365 Energy: 0.01164831419230747 Energy: 0.17414695292118307 Energy: 0.1741469529087568 Energy: 0.011648314198883765 Energy: 0.17414695292084936 Energy: 0.17414695292395102 Energy: 0.011648314199904565 Energy: 0.011648314200257916 Energy: 0.011648314200944993 Energy: 0.011648314203712925 Energy: 0.5367450915197365 Energy: 0.5367450915197365 Energy: 0.011648314200611269 Energy: 0.17414695292084936 Energy: 0.17414695292188978 minimum gb energy = 0.011648314185063732 eV minimum distance = 2.83880213238538 Angstroms sigma value = 1