model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 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=4.128871455788613 cohesive_energy=3.7144354827541424 mass=26.981538 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010982353216422611 Energy: 0.010982353215487708 Energy: 0.010982353215006901 Energy: 0.010982353215487708 Energy: 0.010982353215968516 Energy: 0.010982353215487708 Energy: 0.01098235321220219 Energy: 0.010982353218773227 Energy: 0.010982353214071996 Energy: 0.010982353213617901 Energy: 0.010982353216422611 Energy: 0.010982353215968516 Energy: 0.010982353215487708 Energy: 0.010982353215968516 Energy: 0.010982353215968516 Energy: 0.25830834262419267 Energy: 0.010982353216422611 Energy: 0.010982353215487708 Energy: 0.010982353217357514 Energy: 0.010982353220643032 Energy: 0.010982353218773227 Energy: 0.010982353216903419 Energy: 0.010982353214552803 Energy: 0.010982353214552803 Energy: 0.010982353215006901 Energy: 0.010982353216903419 Energy: 0.010982353214552803 Energy: 0.010982353214552803 Energy: 0.010982353215968516 Energy: 0.010982353221604648 minimum gb energy = 0.01098235321220219 eV minimum distance = 2.91943541025653 Angstroms sigma value = 1 ======================================== theta = 7.628149668580709 ======================================== Energy: 0.3957744264097975 Energy: 0.3524040375479893 Energy: 0.35240514259358485 Energy: 0.35750953682513315 Energy: 0.35240631822901003 Energy: 0.3524077499793724 Energy: 0.3588582399815196 Energy: 0.3567848333147599 Energy: 0.35678503190765887 Energy: 0.36276838193045524 Energy: 0.3527556382541342 Energy: 0.35275520848569436 Energy: 0.3665339951160633 Energy: 0.3524044849326359 Energy: 0.3524049523175612 Energy: 0.3420740720545932 Energy: 0.36146706591878947 Energy: 0.361467185161744 Energy: 0.3594064782806089 Energy: 0.3524041288598298 Energy: 0.3524039149216482 Energy: 0.3633193104721313 Energy: 0.35525241476267017 Energy: 0.35525271869047886 Energy: 0.3665291777366254 Energy: 0.40617769262364506 Energy: 0.4061775599715497 Energy: 0.3633191059564079 Energy: 0.3614684501516312 Energy: 0.36146458934652453 minimum gb energy = 0.3420740720545932 eV minimum distance = 2.67947722053422 Angstroms sigma value = 113 ======================================== theta = 8.171233559949753 ======================================== Energy: 0.4082801986797351 Energy: 0.367715818501669 Energy: 0.36771553842338983 Energy: 0.35089557687636286 Energy: 0.37072073905360325 Energy: 0.37071941842153805 Energy: 0.36878778166235116 Energy: 0.36766436061270885 Energy: 0.3676640518792007 Energy: 0.36669963685755264 Energy: 0.37072037365654487 Energy: 0.3707193254887348 Energy: 0.3547389831075766 Energy: 0.36766425335682823 Energy: 0.36766458656622736 Energy: 0.38170497127167485 Energy: 0.37071986835192083 Energy: 0.37071939110586033 Energy: 0.35643928482725173 Energy: 0.3676640846923005 Energy: 0.3676645245150574 Energy: 0.3651949453783885 Energy: 0.3707218016830682 Energy: 0.37071897764691786 Energy: 0.3651360893358807 Energy: 0.36766537849850484 Energy: 0.3676645467447822 Energy: 0.35554497886803393 Energy: 0.3803428347738564 Energy: 0.3803395576384342 minimum gb energy = 0.35089557687636286 eV minimum distance = 2.67509179720996 Angstroms sigma value = 197 ======================================== theta = 8.797410709991064 ======================================== Energy: 0.4278595615087621 Energy: 0.3806149015993028 Energy: 0.38061497862603294 Energy: 0.37822189983553794 Energy: 0.37814650410294237 Energy: 0.37814672084603795 Energy: 0.39352730824277754 Energy: 0.3785249399064935 Energy: 0.37852687929737017 Energy: 0.3790619788027427 Energy: 0.4119371234208191 Energy: 0.41193068418487394 Energy: 0.39104987220316184 Energy: 0.3876662731361211 Energy: 0.3876603189405203 Energy: 0.363970932761029 Energy: 0.38970482335600803 Energy: 0.3897101054195961 Energy: 0.38230325084511724 Energy: 0.38684925692845096 Energy: 0.38684949060892565 Energy: 0.38795104798292307 Energy: 0.46370391975180497 Energy: 0.46370400409694773 Energy: 0.3936900152148126 Energy: 0.38381017099743947 Energy: 0.3838088093935427 Energy: 0.3779645063974793 Energy: 0.3897018208220807 Energy: 0.38970493022339797 minimum gb energy = 0.363970932761029 eV minimum distance = 2.67648958921319 Angstroms sigma value = 169 ======================================== theta = 9.527283381452357 ======================================== Energy: 0.43662309539631033 Energy: 0.39334118128346135 Energy: 0.3933411886640956 Energy: 0.3946477059947683 Energy: 0.44555062702132325 Energy: 0.4455496704994676 Energy: 0.3923084997505413 Energy: 0.3903524914679349 Energy: 0.3903522878663162 Energy: 0.390638773793697 Energy: 0.39326105579917653 Energy: 0.3932622376857082 Energy: 0.4067066316485287 Energy: 0.4499540289396151 Energy: 0.4499494746146847 Energy: 0.4058477815704176 Energy: 0.40036724342329977 Energy: 0.40036575715384015 Energy: 0.4067155580890397 Energy: 0.4644149024098072 Energy: 0.4644141535429741 Energy: 0.3832918543086399 Energy: 0.3932610476668853 Energy: 0.3932593905937555 Energy: 0.4004463540752758 Energy: 0.380910709483788 Energy: 0.38090995983960146 Energy: 0.40032193025379464 Energy: 0.40947904672264507 Energy: 0.40948374072157967 minimum gb energy = 0.38090995983960146 eV minimum distance = 2.6391465315052 Angstroms sigma value = 145 ======================================== theta = 10.388857815469612 ======================================== Energy: 0.45264063171722463 Energy: 0.41472101789468085 Energy: 0.41472119881658437 Energy: 0.42935127720078425 Energy: 0.4096277127885584 Energy: 0.4096277322571334 Energy: 0.4109296521747734 Energy: 0.4053548408963212 Energy: 0.4053553518522962 Energy: 0.4037657986836955 Energy: 0.4284784181793718 Energy: 0.42847362755645324 Energy: 0.42897344779694957 Energy: 0.4197568233241297 Energy: 0.4197593751021188 Energy: 0.3857031122354537 Energy: 0.4146167204239754 Energy: 0.4146167982821013 Energy: 0.4195820109935151 Energy: 0.40788647308912696 Energy: 0.4078862677775611 Energy: 0.4195966073113881 Energy: 0.4080425189361333 Energy: 0.4080412387989035 Energy: 0.4006969142922483 Energy: 0.4053555597271372 Energy: 0.40535586666021656 Energy: 0.4195821196445868 Energy: 0.41359215149855005 Energy: 0.4135925005127869 minimum gb energy = 0.3857031122354537 eV minimum distance = 2.62203594475071 Angstroms sigma value = 61 ======================================== theta = 11.421186274999284 ======================================== Energy: 0.47475836877420574 Energy: 0.42610146832053736 Energy: 0.4261119929755165 Energy: 0.4200218153584576 Energy: 0.4259740209947236 Energy: 0.4259733521937814 Energy: 0.43544625895242395 Energy: 0.43338947266316397 Energy: 0.4333852281340647 Energy: 0.42077559114464846 Energy: 0.41579368271373407 Energy: 0.41579264617395095 Energy: 0.43455427333669044 Energy: 0.44273900598787175 Energy: 0.44273888818429996 Energy: 0.43455429432318726 Energy: 0.44670281070566437 Energy: 0.4467035676874524 Energy: 0.4213464222055912 Energy: 0.4467028253330265 Energy: 0.44670282183925325 Energy: 0.43197443146450526 Energy: 0.4427391328195105 Energy: 0.4427394751377813 Energy: 0.43543881214693403 Energy: 0.4367760309912478 Energy: 0.4367758949767461 Energy: 0.4345542770941908 Energy: 0.42597346982386697 Energy: 0.4259734347168796 minimum gb energy = 0.41579264617395095 eV minimum distance = 2.65726658212266 Angstroms sigma value = 101 ======================================== theta = 12.68038349181982 ======================================== Energy: 0.469550291842414 Energy: 0.4456639416128033 Energy: 0.44566355679253955 Energy: 0.45193664250499116 Energy: 0.445490410709052 Energy: 0.44549067120531616 Energy: 0.4260426347921909 Energy: 0.44549084009378187 Energy: 0.44549137892832297 Energy: 0.4171445454679706 Energy: 0.4454908294976931 Energy: 0.44549041178480686 Energy: 0.4272790276434658 Energy: 0.4454911144549326 Energy: 0.44549207874068714 Energy: 0.4215185994355039 Energy: 0.44549246892415045 Energy: 0.445490404894935 Energy: 0.46056010555142396 Energy: 0.44549059397349755 Energy: 0.44549118267340454 Energy: 0.4256845757154575 Energy: 0.4456497687206018 Energy: 0.44564776844075354 Energy: 0.4454192537681197 Energy: 0.44564971266746256 Energy: 0.4456484856561066 Energy: 0.45514242366241137 Energy: 0.4454912907900971 Energy: 0.4454915697551936 minimum gb energy = 0.4171445454679706 eV minimum distance = 2.65568979297675 Angstroms sigma value = 81 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.4918358529483163 Energy: 0.47146373417377174 Energy: 0.4714638018597797 Energy: 0.4582338984230148 Energy: 0.4543900077843755 Energy: 0.4543909292979541 Energy: 0.4637405209348082 Energy: 0.46028513154586687 Energy: 0.46028099777234316 Energy: 0.4744794528888286 Energy: 0.4620644372125133 Energy: 0.462064359751418 Energy: 0.46706526014689803 Energy: 0.4781033823822705 Energy: 0.47807649526612456 Energy: 0.4670793396487336 Energy: 0.4836581573344375 Energy: 0.483648248531877 Energy: 0.4744739843620448 Energy: 0.46834649179451443 Energy: 0.46834408899100777 Energy: 0.47447638210516707 Energy: 0.46029002341973885 Energy: 0.4602844628627661 Energy: 0.4582347176557067 Energy: 0.4543905103352037 Energy: 0.4543912641387311 Energy: 0.481955823837819 Energy: 0.46960145562806155 Energy: 0.4696018168238678 minimum gb energy = 0.4543900077843755 eV minimum distance = 2.63485531368179 Angstroms sigma value = 1 ======================================== theta = 15.18928673718289 ======================================== Energy: 0.5091218001865939 Energy: 0.492300760616882 Energy: 0.4923004570896632 Energy: 0.48405677424420146 Energy: 0.47080584778436885 Energy: 0.4708052978587511 Energy: 0.4817810861649289 Energy: 0.4838756294549265 Energy: 0.48388345885781664 Energy: 0.4528424052515116 Energy: 0.49230332092441415 Energy: 0.49230179079432296 Energy: 0.4797436479724075 Energy: 0.4915155998603431 Energy: 0.4915246146987958 Energy: 0.47648296177085836 Energy: 0.48301681068848734 Energy: 0.4830087860482373 Energy: 0.4819398008291679 Energy: 0.4918500089780822 Energy: 0.49185142660695474 Energy: 0.47795767194093614 Energy: 0.5020360873584461 Energy: 0.5020308926870505 Energy: 0.43954684915998155 Energy: 0.5013899887049059 Energy: 0.5013888853248155 Energy: 0.48992348050517354 Energy: 0.49424687095263176 Energy: 0.494239951670539 minimum gb energy = 0.43954684915998155 eV minimum distance = 2.6121217242028 Angstroms sigma value = 229 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.509912978264973 Energy: 0.497289402964793 Energy: 0.49729073284915665 Energy: 0.505948413997955 Energy: 0.4795362291570758 Energy: 0.479537367887021 Energy: 0.48034420109348375 Energy: 0.496746064483827 Energy: 0.4967521867487923 Energy: 0.46324075585664054 Energy: 0.49675453182221313 Energy: 0.4967493643339017 Energy: 0.47759700784619186 Energy: 0.5032810966870986 Energy: 0.503277288352331 Energy: 0.45199652638107873 Energy: 0.49674791484153513 Energy: 0.4967452104024908 Energy: 0.46503870782652906 Energy: 0.5032773013172002 Energy: 0.5032773116810086 Energy: 0.44070094066177473 Energy: 0.49697090649014775 Energy: 0.49697032890392 Energy: 0.4803416722960556 Energy: 0.49289068682728787 Energy: 0.49288972365524764 Energy: 0.4934281791904065 Energy: 0.4972903330603954 Energy: 0.49729064614412505 minimum gb energy = 0.44070094066177473 eV minimum distance = 2.63792565902192 Angstroms sigma value = 25 ======================================== theta = 17.49232452511042 ======================================== Energy: 0.530966677738179 Energy: 0.5092795878822615 Energy: 0.5092724632834812 Energy: 0.4536445610948377 Energy: 0.5188108094908098 Energy: 0.5188080167745464 Energy: 0.47875022664739425 Energy: 0.529018960698905 Energy: 0.5290211306410646 Energy: 0.4666503748674669 Energy: 0.5188078013776689 Energy: 0.5188059824982227 Energy: 0.4976593309576738 Energy: 0.5092713781091224 Energy: 0.509271735564043 Energy: 0.5005054940368411 Energy: 0.5177941347936423 Energy: 0.5178014451156071 Energy: 0.4857298647504234 Energy: 0.5081082354159572 Energy: 0.5080980273995438 Energy: 0.49060974542004043 Energy: 0.4922915160190656 Energy: 0.49229215022078776 Energy: 0.48759473333451936 Energy: 0.5186839893198781 Energy: 0.5186821470221489 Energy: 0.48964459273138133 Energy: 0.5222727293051225 Energy: 0.522273811330867 minimum gb energy = 0.4536445610948377 eV minimum distance = 2.59619414523525 Angstroms sigma value = 173 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.5170663241446833 Energy: 0.5359481546668561 Energy: 0.5359476550041053 Energy: 0.511671588272777 Energy: 0.49000945414639885 Energy: 0.49000811789938326 Energy: 0.5328926108363626 Energy: 0.5317526205945482 Energy: 0.5317529889427313 Energy: 0.5201836218128613 Energy: 0.5354184572180882 Energy: 0.5354185802742857 Energy: 0.4900097689054443 Energy: 0.4900081017093944 Energy: 0.4900138198276428 Energy: 0.49001626020299655 Energy: 0.4901416892130012 Energy: 0.4901428870605177 Energy: 0.49967151321441905 Energy: 0.5203550487526202 Energy: 0.5203550555331437 Energy: 0.47970013680157353 Energy: 0.5113237702471181 Energy: 0.5113277676451007 Energy: 0.5039729432558058 Energy: 0.4931441171575329 Energy: 0.4931468258216623 Energy: 0.51167037967545 Energy: 0.5035682414024228 Energy: 0.5035682099896309 minimum gb energy = 0.47970013680157353 eV minimum distance = 2.57214085350121 Angstroms sigma value = 9 ======================================== theta = 20.609692937532067 ======================================== Energy: 0.5493645602798082 Energy: 0.5543991254149038 Energy: 0.5544038416794892 Energy: 0.504577984246999 Energy: 0.5741193989748641 Energy: 0.5741214183580471 Energy: 0.5217152247797571 Energy: 0.5108533419896856 Energy: 0.5108540606226218 Energy: 0.5389580051337642 Energy: 0.5238416386971204 Energy: 0.5238416101505009 Energy: 0.5099476736704718 Energy: 0.5108534881088231 Energy: 0.5108557257903673 Energy: 0.5254040656697355 Energy: 0.5122235168763711 Energy: 0.5122338394560971 Energy: 0.5026171842656754 Energy: 0.5015644839054236 Energy: 0.5015682342251179 Energy: 0.5315792240790238 Energy: 0.5026192818056829 Energy: 0.5026303671355649 Energy: 0.5099379762968129 Energy: 0.509483035364168 Energy: 0.5094818201361189 Energy: 0.5418275999754182 Energy: 0.5099378957556148 Energy: 0.50995194788069 minimum gb energy = 0.5015644839054236 eV minimum distance = 2.58628084504499 Angstroms sigma value = 31 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.5355133460047988 Energy: 0.5083945763249219 Energy: 0.5083945713843501 Energy: 0.5089563995597292 Energy: 0.5042889846622628 Energy: 0.5042918289060276 Energy: 0.5679837286127899 Energy: 0.5431401129760063 Energy: 0.5431404938391524 Energy: 0.5170517605971874 Energy: 0.49065214714630956 Energy: 0.49065212143705994 Energy: 0.5170512062636436 Energy: 0.48979845915614345 Energy: 0.48979830639543764 Energy: 0.48979763053529785 Energy: 0.5042894258500299 Energy: 0.5042889849590169 Energy: 0.46405365489907696 Energy: 0.5083945686997965 Energy: 0.5083945806314599 Energy: 0.4640544934757052 Energy: 0.4897983355274172 Energy: 0.4897943317869636 Energy: 0.518938906396417 Energy: 0.5408464213682415 Energy: 0.540848706854895 Energy: 0.5189398046396817 Energy: 0.5408464193122106 Energy: 0.540846418434856 minimum gb energy = 0.46405365489907696 eV minimum distance = 2.57400667695197 Angstroms sigma value = 25 ======================================== theta = 24.189514154024202 ======================================== Energy: 0.5582524348040004 Energy: 0.5318686143571859 Energy: 0.5318774162417662 Energy: 0.5234714583308129 Energy: 0.5085247913177986 Energy: 0.5085264074188737 Energy: 0.5234511252219085 Energy: 0.508526568708985 Energy: 0.5085264275590301 Energy: 0.5340319022306078 Energy: 0.531889057558613 Energy: 0.5318950781385112 Energy: 0.5234610782617222 Energy: 0.5109831557976873 Energy: 0.5109791841458436 Energy: 0.5234499297567553 Energy: 0.5198293603604259 Energy: 0.5198512347599611 Energy: 0.5064559067365522 Energy: 0.531875631815244 Energy: 0.5318781154440116 Energy: 0.5301818339899055 Energy: 0.5151032845863549 Energy: 0.5150925589750315 Energy: 0.5234718422579538 Energy: 0.5161205558338451 Energy: 0.5161159874691397 Energy: 0.4853316632907896 Energy: 0.5318676153171823 Energy: 0.5318709850781146 minimum gb energy = 0.4853316632907896 eV minimum distance = 2.61508728287162 Angstroms sigma value = 205 ======================================== theta = 25.057615418303023 ======================================== Energy: 0.5527023726191885 Energy: 0.5311797242389559 Energy: 0.5311973873472478 Energy: 0.5229159546472651 Energy: 0.5311796053345762 Energy: 0.5311861213122596 Energy: 0.5132114089882558 Energy: 0.5405211506820988 Energy: 0.5405205578539694 Energy: 0.5196723500710313 Energy: 0.5112919789324962 Energy: 0.5112919462606286 Energy: 0.5036805119699824 Energy: 0.49347260400471293 Energy: 0.4934737064891385 Energy: 0.5787470279454342 Energy: 0.5196744774778167 Energy: 0.5196732717651553 Energy: 0.5282641403316084 Energy: 0.5203540960169795 Energy: 0.5203610890137658 Energy: 0.4934720341474562 Energy: 0.5203455834932608 Energy: 0.5203457863559097 Energy: 0.5376913185689997 Energy: 0.5196732022658973 Energy: 0.519675116619238 Energy: 0.5193886525200658 Energy: 0.5150199534140623 Energy: 0.5150258053946023 minimum gb energy = 0.4934720341474562 eV minimum distance = 2.54598945494416 Angstroms sigma value = 85 ======================================== theta = 25.98923358383301 ======================================== Energy: 0.5613737868500485 Energy: 0.5278301782250575 Energy: 0.5278301601289273 Energy: 0.5085472566241166 Energy: 0.5278304433419659 Energy: 0.5278410194652093 Energy: 0.5085472583418661 Energy: 0.5323291210695873 Energy: 0.5323285819546497 Energy: 0.5085518919828399 Energy: 0.5152949271157288 Energy: 0.5152918348529605 Energy: 0.517183797263712 Energy: 0.561730459265465 Energy: 0.5616752936883189 Energy: 0.5358753958608258 Energy: 0.5249909174850175 Energy: 0.5249899446528555 Energy: 0.5500882182106182 Energy: 0.5167960506286876 Energy: 0.5168102334906943 Energy: 0.5351891735470008 Energy: 0.5152962445552868 Energy: 0.5152951407834357 Energy: 0.5272469570183609 Energy: 0.5273236700235232 Energy: 0.5273177822946155 Energy: 0.4858263196314961 Energy: 0.5259334842419342 Energy: 0.5259331079259874 minimum gb energy = 0.4858263196314961 eV minimum distance = 2.54631527901494 Angstroms sigma value = 89 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.5056163112149281 Energy: 0.5010340166736738 Energy: 0.5010338675198925 Energy: 0.6262920821403836 Energy: 0.4780672658165616 Energy: 0.47806571060675074 Energy: 0.6358681584496131 Energy: 0.5010342958967738 Energy: 0.5010342597360536 Energy: 0.47806560329968584 Energy: 0.4895006924779046 Energy: 0.489500698003234 Energy: 0.5548104324507033 Energy: 0.47806563777475275 Energy: 0.4780655163535548 Energy: 0.47806552414459624 Energy: 0.5274755083883139 Energy: 0.5274816280886443 Energy: 0.5604741375813932 Energy: 0.5010343285642621 Energy: 0.5010334719244951 Energy: 0.4780654344186973 Energy: 0.5274746403024404 Energy: 0.5274746678845672 Energy: 0.47806543623539766 Energy: 0.5010337839951597 Energy: 0.5010339410459709 Energy: 0.4895007039513761 Energy: 0.47806545054901667 Energy: 0.4780654357236741 minimum gb energy = 0.4780654344186973 eV minimum distance = 2.64793107696192 Angstroms sigma value = 17 ======================================== theta = 29.86283435627511 ======================================== Energy: 0.5576041186121653 Energy: 0.5234634945419098 Energy: 0.5234643750118082 Energy: 0.5004573945570185 Energy: 0.5373630379318604 Energy: 0.537361567580047 Energy: 0.5369256710925152 Energy: 0.533605895172538 Energy: 0.5336079125765669 Energy: 0.5252796463802448 Energy: 0.5317832483411828 Energy: 0.5317733843131327 Energy: 0.5256102745848279 Energy: 0.5574208016943174 Energy: 0.5670451280855757 Energy: 0.5673380550066439 Energy: 0.5449645714815827 Energy: 0.5449658965854209 Energy: 0.5179663446268915 Energy: 0.5268912324081393 Energy: 0.5268816785886928 Energy: 0.4929357548455511 Energy: 0.5107766586915566 Energy: 0.5107772334343363 Energy: 0.5644372726414817 Energy: 0.5390549937680422 Energy: 0.5390547543115337 Energy: 0.5278814112110147 Energy: 0.5317734187565655 Energy: 0.5317771646805423 minimum gb energy = 0.4929357548455511 eV minimum distance = 2.55464647532738 Angstroms sigma value = 241 ======================================== theta = 30.510237406115554 ======================================== Energy: 0.5583713304525763 Energy: 0.5164739282848956 Energy: 0.5164732178282705 Energy: 0.5224307404300625 Energy: 0.5630604892009516 Energy: 0.5631628109820437 Energy: 0.5751246228324183 Energy: 0.5307825314869496 Energy: 0.530882347137836 Energy: 0.5224315482824295 Energy: 0.5164732264923265 Energy: 0.5164821349143561 Energy: 0.5083334017515089 Energy: 0.5164732253115399 Energy: 0.5164733056932491 Energy: 0.5504481599268368 Energy: 0.5918362250958372 Energy: 0.5918295337152044 Energy: 0.5373007450116537 Energy: 0.5539434368545073 Energy: 0.5539432428295732 Energy: 0.5224297071380497 Energy: 0.5164845204381968 Energy: 0.5164868389947257 Energy: 0.5083334015141221 Energy: 0.563029316404236 Energy: 0.563085981608463 Energy: 0.5962409852908159 Energy: 0.5056298922472323 Energy: 0.5056292829360335 minimum gb energy = 0.5056292829360335 eV minimum distance = 2.53758801021074 Angstroms sigma value = 65 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.548299548960248 Energy: 0.5035248428474425 Energy: 0.5035246918885071 Energy: 0.48921928370681433 Energy: 0.5253584739803879 Energy: 0.5253559512633261 Energy: 0.48922480416408687 Energy: 0.5187748854321155 Energy: 0.5187756115386892 Energy: 0.538599502838656 Energy: 0.5170284451798175 Energy: 0.5170283143410243 Energy: 0.5465625782179268 Energy: 0.5004595809291074 Energy: 0.5004658653824534 Energy: 0.6281617947948775 Energy: 0.5564674407613601 Energy: 0.5564722171232886 Energy: 0.4892197631482772 Energy: 0.5187765325359901 Energy: 0.5187751009245479 Energy: 0.5286550351293353 Energy: 0.5437296393584183 Energy: 0.5437337301393965 Energy: 0.5004677721067763 Energy: 0.5147848321963403 Energy: 0.5147845997581922 Energy: 0.48922265797626663 Energy: 0.5716686852364793 Energy: 0.5716706587967104 minimum gb energy = 0.48921928370681433 eV minimum distance = 2.59613545407345 Angstroms sigma value = 53 ======================================== theta = 33.39848846798724 ======================================== Energy: 0.5251479346960798 Energy: 0.4958857149461937 Energy: 0.49588542462064195 Energy: 0.5946351504269844 Energy: 0.5753671064488306 Energy: 0.5753633026247121 Energy: 0.5145514189177965 Energy: 0.5398455729741828 Energy: 0.5398448859703016 Energy: 0.48485811829003234 Energy: 0.6043296713877152 Energy: 0.6043287444902391 Energy: 0.6563869081045357 Energy: 0.5349238962378673 Energy: 0.5349467178921521 Energy: 0.48486110066294485 Energy: 0.5709304863866793 Energy: 0.5709280392897593 Energy: 0.5187023393251408 Energy: 0.5356587539083192 Energy: 0.5356589375741142 Energy: 0.5507506607981806 Energy: 0.5387301844493801 Energy: 0.5387302505757119 Energy: 0.5251480391283034 Energy: 0.49588825218388044 Energy: 0.49588579602290905 Energy: 0.6074036016848584 Energy: 0.5357068057731692 Energy: 0.5357070411153962 minimum gb energy = 0.48485811829003234 eV minimum distance = 2.58512343876342 Angstroms sigma value = 109 ======================================== theta = 34.20545793810475 ======================================== Energy: 0.5680905681009119 Energy: 0.5329322883340186 Energy: 0.5329323473267493 Energy: 0.5255643335970908 Energy: 0.541880610092526 Energy: 0.5418817872530853 Energy: 0.5149591023436437 Energy: 0.5454103340532179 Energy: 0.545400010214623 Energy: 0.5173970362188414 Energy: 0.521035255294649 Energy: 0.521035367958586 Energy: 0.6324198001406516 Energy: 0.5680954238698138 Energy: 0.5680911013074191 Energy: 0.5174005478339397 Energy: 0.5210333175040224 Energy: 0.521036328910796 Energy: 0.514970741236316 Energy: 0.5454034746478352 Energy: 0.5454124806090291 Energy: 0.5255677412635337 Energy: 0.5418811597328926 Energy: 0.5418815741897257 Energy: 0.568099557968923 Energy: 0.532932381123049 Energy: 0.532932164349482 Energy: 0.5255979516064686 Energy: 0.5418809187921201 Energy: 0.5418791940713888 minimum gb energy = 0.5149591023436437 eV minimum distance = 2.52218690881969 Angstroms sigma value = 185 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.45810286497449376 Energy: 0.45810661137620706 Energy: 0.45810390527205885 Energy: 0.559485606336971 Energy: 0.4602237896622572 Energy: 0.4602237899044475 Energy: 0.46761751233171456 Energy: 0.5046301309587643 Energy: 0.5046291872095828 Energy: 0.5732987427612402 Energy: 0.46022378876026043 Energy: 0.4602237887171474 Energy: 0.45810422746193813 Energy: 0.4581028656298402 Energy: 0.45810322343764304 Energy: 0.5594837905365356 Energy: 0.46022379007683245 Energy: 0.4602237889801847 Energy: 0.4676179169990177 Energy: 0.5046293406152167 Energy: 0.5046291860207961 Energy: 0.5732987428459461 Energy: 0.48267823983878033 Energy: 0.48267808269882745 Energy: 0.458103126369199 Energy: 0.4581036115137611 Energy: 0.45810301535761405 Energy: 0.5594830433315491 Energy: 0.48267802940790394 Energy: 0.4826780437983264 minimum gb energy = 0.45810286497449376 eV minimum distance = 2.62006303615709 Angstroms sigma value = 9 ======================================== theta = 39.30764811610662 ======================================== Energy: 0.5601794756934777 Energy: 0.5492792707409195 Energy: 0.5492867650910974 Energy: 0.6433839743943609 Energy: 0.5262715030558154 Energy: 0.5262714843804127 Energy: 0.5301602523740431 Energy: 0.557112263308472 Energy: 0.557112331189672 Energy: 0.530157817262717 Energy: 0.5519622427699753 Energy: 0.5519565620065209 Energy: 0.5327081559729939 Energy: 0.5808309800190867 Energy: 0.5808299538846198 Energy: 0.5326920578901176 Energy: 0.5516956557167999 Energy: 0.551695725756963 Energy: 0.6682406650856694 Energy: 0.5460385011483635 Energy: 0.5460384883669067 Energy: 0.5519310205047033 Energy: 0.5644377292268213 Energy: 0.5644419046270445 Energy: 0.6562496318313212 Energy: 0.5459772142897349 Energy: 0.5459814563089624 Energy: 0.5326913681255562 Energy: 0.5432765423300221 Energy: 0.5432479005314688 minimum gb energy = 0.5262714843804127 eV minimum distance = 2.60951871288339 Angstroms sigma value = 221 ======================================== theta = 39.96621304379996 ======================================== Energy: 0.5724411265581939 Energy: 0.5553780751835528 Energy: 0.5553825110132993 Energy: 0.5068248542156917 Energy: 0.5516334857954155 Energy: 0.5516584167609151 Energy: 0.49785354554806566 Energy: 0.5348629365106367 Energy: 0.5348623078906178 Energy: 0.495663629570055 Energy: 0.5834620475237728 Energy: 0.5834616447831256 Energy: 0.5450909971759117 Energy: 0.5625160904448931 Energy: 0.5625188641163373 Energy: 0.5906190657520112 Energy: 0.55191547510255 Energy: 0.5519189885772422 Energy: 0.6477102268039161 Energy: 0.49785611799149004 Energy: 0.49785183996623944 Energy: 0.6039364712677912 Energy: 0.49270488326971257 Energy: 0.4926973129948396 Energy: 0.6167279158255634 Energy: 0.5560829807005383 Energy: 0.556080822728881 Energy: 0.5928182531869759 Energy: 0.546681113152584 Energy: 0.5466662371137009 minimum gb energy = 0.4926973129948396 eV minimum distance = 2.58815579466275 Angstroms sigma value = 137 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.5183049534064401 Energy: 0.5859161311051376 Energy: 0.5859359051934971 Energy: 0.646182515534171 Energy: 0.513297104995952 Energy: 0.5132840612856946 Energy: 0.5781777357222145 Energy: 0.6081885632961176 Energy: 0.6082117862937315 Energy: 0.5163772296625967 Energy: 0.5552932448682264 Energy: 0.5552931309217882 Energy: 0.5781829744428556 Energy: 0.5846664287714163 Energy: 0.5846800989627369 Energy: 0.5132785490491029 Energy: 0.5395405985671958 Energy: 0.5395409747706295 Energy: 0.6838008393388187 Energy: 0.6108345097591077 Energy: 0.6108569770415778 Energy: 0.5163773251177108 Energy: 0.5548096294352572 Energy: 0.5548141296269656 Energy: 0.5970321648440319 Energy: 0.5328850393134174 Energy: 0.5328849638021039 Energy: 0.5132786592479249 Energy: 0.5328850268439901 Energy: 0.5328849688956004 minimum gb energy = 0.5132785490491029 eV minimum distance = 2.58082748684818 Angstroms sigma value = 73 ======================================== theta = 42.075022050843636 ======================================== Energy: 0.574533248882974 Energy: 0.5638833563883859 Energy: 0.5638465760938792 Energy: 0.5452219536993403 Energy: 0.5492974285328688 Energy: 0.5493006449753141 Energy: 0.5406038950297798 Energy: 0.5403034473864877 Energy: 0.5403063507529287 Energy: 0.5114180452422776 Energy: 0.5635711803734561 Energy: 0.5635912631922478 Energy: 0.5706980302440838 Energy: 0.5434076447830108 Energy: 0.5434024378541947 Energy: 0.5190830705272743 Energy: 0.5122329620522067 Energy: 0.5122487160806788 Energy: 0.5073199815875312 Energy: 0.5848473928999766 Energy: 0.5848454570149936 Energy: 0.5375144006958237 Energy: 0.5434107649894854 Energy: 0.5434110171008282 Energy: 0.5302956256340446 Energy: 0.5122110145121033 Energy: 0.5122282563187515 Energy: 0.5072992915335828 Energy: 0.5883662010728918 Energy: 0.588368609896415 minimum gb energy = 0.5072992915335828 eV minimum distance = 2.60152619786988 Angstroms sigma value = 97 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.5549281347192824 Energy: 0.5510603528984892 Energy: 0.5510600524715049 Energy: 0.5217182639722554 Energy: 0.5481763038610117 Energy: 0.548176725455827 Energy: 0.5214391535610421 Energy: 0.5524250266949365 Energy: 0.5524330238343197 Energy: 0.5092467979276089 Energy: 0.543503128623161 Energy: 0.5435041215437745 Energy: 0.6492305924224663 Energy: 0.5091324194456675 Energy: 0.5091414739068061 Energy: 0.5809422087750723 Energy: 0.5447687763099485 Energy: 0.5447753870353788 Energy: 0.5538612739950363 Energy: 0.510251134939505 Energy: 0.5102547716570954 Energy: 0.5530851506435751 Energy: 0.5091385049208185 Energy: 0.5091402624334719 Energy: 0.554927734382941 Energy: 0.5537827275760624 Energy: 0.5537827476094048 Energy: 0.5072303289781932 Energy: 0.5347603186573586 Energy: 0.5347602289270005 minimum gb energy = 0.5072303289781932 eV minimum distance = 2.58366690549781 Angstroms sigma value = 7 ======================================== theta = 45.23972989608085 ======================================== Energy: 0.5316462364077423 Energy: 0.52729430878874 Energy: 0.527293870983759 Energy: 0.5145513116886125 Energy: 0.5338741567214369 Energy: 0.5338747246647982 Energy: 0.6128049228004843 Energy: 0.5187271396360034 Energy: 0.518727803545265 Energy: 0.518045873336887 Energy: 0.5524536119060348 Energy: 0.5524528197781379 Energy: 0.514542330965668 Energy: 0.5278644099675129 Energy: 0.5278677587642128 Energy: 0.5187280234325807 Energy: 0.5782618169686409 Energy: 0.5782715706841964 Energy: 0.5267536651084442 Energy: 0.5234390591568128 Energy: 0.5234393256303533 Energy: 0.653444883537089 Energy: 0.5207260317782737 Energy: 0.5207253797368548 Energy: 0.526753559875106 Energy: 0.5776781970086349 Energy: 0.5776948828831961 Energy: 0.5187270026458932 Energy: 0.5770780927914523 Energy: 0.577081562278015 minimum gb energy = 0.514542330965668 eV minimum distance = 2.52694278114832 Angstroms sigma value = 169 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.5271874169073917 Energy: 0.5284168781402343 Energy: 0.5284232573571834 Energy: 0.5317963125439439 Energy: 0.5202739879504886 Energy: 0.520268595245883 Energy: 0.5758618716619425 Energy: 0.5310017125207311 Energy: 0.5310035413738845 Energy: 0.514850647564761 Energy: 0.5310060793262577 Energy: 0.5310042114121631 Energy: 0.5271878504562805 Energy: 0.5495088259879026 Energy: 0.5495082777335619 Energy: 0.582824648563583 Energy: 0.5211952520216837 Energy: 0.5211897053884746 Energy: 0.514846576264263 Energy: 0.528418662208292 Energy: 0.5284230606352084 Energy: 0.5148237105197082 Energy: 0.5675423102736921 Energy: 0.5675484287378725 Energy: 0.6485712892842638 Energy: 0.5202777592842419 Energy: 0.5202778757407823 Energy: 0.5148553953268138 Energy: 0.5469888778935057 Energy: 0.5469888855822785 minimum gb energy = 0.5148237105197082 eV minimum distance = 2.57373385211141 Angstroms sigma value = 29 ======================================== theta = 47.92497794915637 ======================================== Energy: 0.5354479193505575 Energy: 0.5369178684143626 Energy: 0.5369228422092394 Energy: 0.5197365428865244 Energy: 0.5499777505064071 Energy: 0.5499903286718469 Energy: 0.5862160270261595 Energy: 0.5211984716200788 Energy: 0.5211902139892014 Energy: 0.5260025800155903 Energy: 0.5567019695997226 Energy: 0.5566988120426266 Energy: 0.5211993268352607 Energy: 0.5891297733658993 Energy: 0.589126999584746 Energy: 0.5587459643746157 Energy: 0.5259996195271183 Energy: 0.5260040881790812 Energy: 0.5282618378481772 Energy: 0.5296860003828664 Energy: 0.5296754482993362 Energy: 0.5211947652344859 Energy: 0.538318459278386 Energy: 0.5383158828278279 Energy: 0.5286720228186729 Energy: 0.5712126509445564 Energy: 0.5712105691739775 Energy: 0.592769124066156 Energy: 0.5691118088348531 Energy: 0.5691128106888608 minimum gb energy = 0.5197365428865244 eV minimum distance = 2.53868714794104 Angstroms sigma value = 97 ======================================== theta = 48.88790956083307 ======================================== Energy: 0.5341198695785792 Energy: 0.5324695008656104 Energy: 0.5324700462343378 Energy: 0.5212709496509791 Energy: 0.5640894758919455 Energy: 0.5640936158998253 Energy: 0.5251364496617896 Energy: 0.5533898072210792 Energy: 0.5534000671291552 Energy: 0.510291959569244 Energy: 0.5604206811086307 Energy: 0.5604251287941864 Energy: 0.6192008563870608 Energy: 0.5137976022095014 Energy: 0.5137883423841938 Energy: 0.5618867040743962 Energy: 0.5240359894884788 Energy: 0.5240354462891006 Energy: 0.513583230955218 Energy: 0.5240368752187945 Energy: 0.5240349964853112 Energy: 0.5135715460037209 Energy: 0.5218036489732796 Energy: 0.5218101014025648 Energy: 0.5094211315550423 Energy: 0.5966604063105028 Energy: 0.5966598670744349 Energy: 0.5135792259661909 Energy: 0.5438649542313169 Energy: 0.543862880253756 minimum gb energy = 0.5094211315550423 eV minimum distance = 2.57936954348476 Angstroms sigma value = 73 ======================================== theta = 49.55028113766384 ======================================== Energy: 0.5348474159340963 Energy: 0.5322180637698599 Energy: 0.5322201758942684 Energy: 0.5533766857923479 Energy: 0.5199182361763653 Energy: 0.5199239574544587 Energy: 0.5178810784793529 Energy: 0.5564402246353555 Energy: 0.5564421515860292 Energy: 0.6315108094442712 Energy: 0.514645683891277 Energy: 0.5146377009942409 Energy: 0.5198586011525953 Energy: 0.563532887479052 Energy: 0.5635164102315544 Energy: 0.5601825620505958 Energy: 0.5207422046991437 Energy: 0.5207349655384452 Energy: 0.5140794006493663 Energy: 0.575063110537172 Energy: 0.575068159139995 Energy: 0.5132852574610383 Energy: 0.5267110729829393 Energy: 0.526725638493892 Energy: 0.5137506831877714 Energy: 0.5405184511533816 Energy: 0.5405640234422798 Energy: 0.5195587513250405 Energy: 0.5169979281929462 Energy: 0.5169919347494668 minimum gb energy = 0.5132852574610383 eV minimum distance = 2.574231581581 Angstroms sigma value = 205 ======================================== theta = 50.033786956200046 ======================================== Energy: 0.5333982408203488 Energy: 0.5331899592643011 Energy: 0.5331899088322999 Energy: 0.521429304592323 Energy: 0.5462261877301735 Energy: 0.5462296478809903 Energy: 0.5145589610877657 Energy: 0.5593344323995959 Energy: 0.5593334104237769 Energy: 0.5120050845582879 Energy: 0.5145209428788465 Energy: 0.5145032132271173 Energy: 0.5098455239025493 Energy: 0.5145236361783903 Energy: 0.5145036725695471 Energy: 0.5187617243118329 Energy: 0.5172964217231875 Energy: 0.5172923277450567 Energy: 0.5455646565517481 Energy: 0.5192523548530941 Energy: 0.519253916558105 Energy: 0.5560785734324051 Energy: 0.5273257043898985 Energy: 0.5273415544009824 Energy: 0.5158272363869558 Energy: 0.5273201636128635 Energy: 0.5273591935335237 Energy: 0.5226096702650261 Energy: 0.5168222222824324 Energy: 0.5168282709352804 minimum gb energy = 0.5098455239025493 eV minimum distance = 2.57396366050557 Angstroms sigma value = 137 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.5002264870687321 Energy: 0.4969951240195589 Energy: 0.49699512335422785 Energy: 0.47420218929531943 Energy: 0.5002264869714458 Energy: 0.5002264871641547 Energy: 0.4855160385313885 Energy: 0.5003059367200999 Energy: 0.5003043685333024 Energy: 0.5002266380661212 Energy: 0.4742568240095246 Energy: 0.4742572749877805 Energy: 0.500226495980866 Energy: 0.5002264875266608 Energy: 0.5002264870306967 Energy: 0.48775528449167677 Energy: 0.5003043654503646 Energy: 0.5003050574156395 Energy: 0.47431187870749364 Energy: 0.5153859619443092 Energy: 0.5153859808714337 Energy: 0.487755852399592 Energy: 0.5002265107228175 Energy: 0.5002264869443289 Energy: 0.48776284656881946 Energy: 0.500226488188432 Energy: 0.5002265006920587 Energy: 0.4742568147224848 Energy: 0.5153862898285353 Energy: 0.5153859744294438 minimum gb energy = 0.47420218929531943 eV minimum distance = 2.61932133346773 Angstroms sigma value = 5 ======================================== theta = 56.144973871705915 ======================================== Energy: 0.5137740319118212 Energy: 0.5281667131026891 Energy: 0.5281630896969917 Energy: 0.5023450038363739 Energy: 0.5548088344651176 Energy: 0.5548124905887574 Energy: 0.4944262086988668 Energy: 0.515904207385512 Energy: 0.5159005847402572 Energy: 0.4959885559737754 Energy: 0.49808161399775713 Energy: 0.4980836903991548 Energy: 0.5219782603565355 Energy: 0.5199045011138054 Energy: 0.5198884789388146 Energy: 0.5672147223957844 Energy: 0.4956532842625097 Energy: 0.4956542731198588 Energy: 0.49210163818425606 Energy: 0.5116269819296435 Energy: 0.5116344585283332 Energy: 0.49144469533032703 Energy: 0.5068942163558171 Energy: 0.506927735855352 Energy: 0.4945948451315864 Energy: 0.5059467354381821 Energy: 0.5059469465258465 Energy: 0.491461649971596 Energy: 0.5520370776312215 Energy: 0.5520366920469438 minimum gb energy = 0.49144469533032703 eV minimum distance = 2.6114304659474 Angstroms sigma value = 289 ======================================== theta = 56.60151153201276 ======================================== Energy: 0.518008345409335 Energy: 0.5234949622839867 Energy: 0.5234944274499554 Energy: 0.5038272646221316 Energy: 0.4968334031955868 Energy: 0.4968347925682745 Energy: 0.5189057889412565 Energy: 0.495934749950693 Energy: 0.49591772298623954 Energy: 0.49222006718634426 Energy: 0.5089415326423493 Energy: 0.5089348381526948 Energy: 0.49225648997676386 Energy: 0.5420420325430204 Energy: 0.5420328487191006 Energy: 0.5340781914833512 Energy: 0.5148410354899898 Energy: 0.5148537735079086 Energy: 0.4913555372936561 Energy: 0.5037383508526527 Energy: 0.5037364706147003 Energy: 0.48957148848535426 Energy: 0.547491096544911 Energy: 0.5474944379681504 Energy: 0.4935827514789732 Energy: 0.5096754880689736 Energy: 0.5096966120496051 Energy: 0.516075323254284 Energy: 0.5006322528327523 Energy: 0.5006323940652349 minimum gb energy = 0.48957148848535426 eV minimum distance = 2.59743138619944 Angstroms sigma value = 109 ======================================== theta = 57.22091933193044 ======================================== Energy: 0.5097232429072512 Energy: 0.5250544186654532 Energy: 0.5250573354662458 Energy: 0.48741073556926384 Energy: 0.5194176774606487 Energy: 0.5194109698434706 Energy: 0.49032283291159545 Energy: 0.5185532894840246 Energy: 0.5185608452162666 Energy: 0.4995979967329954 Energy: 0.532150911321519 Energy: 0.5321556426966014 Energy: 0.48786191375960664 Energy: 0.5303199143872849 Energy: 0.5303223216477057 Energy: 0.5331493864066831 Energy: 0.49261075345962496 Energy: 0.49261312102662297 Energy: 0.4912697353641139 Energy: 0.5012460101489605 Energy: 0.5012478062971616 Energy: 0.4846835728820186 Energy: 0.5480182041200902 Energy: 0.5480187743129415 Energy: 0.48856930371369744 Energy: 0.499592912829367 Energy: 0.4996092484370579 Energy: 0.4843214715389229 Energy: 0.5059378875753567 Energy: 0.5059373858892977 minimum gb energy = 0.4843214715389229 eV minimum distance = 2.58555886648053 Angstroms sigma value = 157 ======================================== theta = 58.10920819815429 ======================================== Energy: 0.5071026923789852 Energy: 0.5217541827783818 Energy: 0.5217560939725491 Energy: 0.4884122658603025 Energy: 0.49442386652925474 Energy: 0.4944242632933193 Energy: 0.4824130968186204 Energy: 0.49442400011684157 Energy: 0.4944239197643838 Energy: 0.4884238500790847 Energy: 0.5085203057558149 Energy: 0.5085028003298601 Energy: 0.5495511256351723 Energy: 0.4922357624566482 Energy: 0.49223643824047836 Energy: 0.5596806667569881 Energy: 0.4787930982866632 Energy: 0.4787888040287875 Energy: 0.5215001389426931 Energy: 0.4824039429820772 Energy: 0.48240036048678825 Energy: 0.47598310020967954 Energy: 0.49081708373734295 Energy: 0.49081866603497937 Energy: 0.4927342376003313 Energy: 0.49442527361140637 Energy: 0.4944270417746542 Energy: 0.4881663589621666 Energy: 0.5320103495801016 Energy: 0.5320146121404422 minimum gb energy = 0.47598310020967954 eV minimum distance = 2.60867445053318 Angstroms sigma value = 53 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.49687794518917316 Energy: 0.5024858469376787 Energy: 0.5025086944291879 Energy: 0.49332638630340153 Energy: 0.48422342284866526 Energy: 0.4842233381286802 Energy: 0.48663000019585345 Energy: 0.5024888079431752 Energy: 0.5024924487247016 Energy: 0.571125563575146 Energy: 0.47992866777254767 Energy: 0.4799257495504916 Energy: 0.47640182095435235 Energy: 0.5014228083206903 Energy: 0.5014459372813205 Energy: 0.6400237713351657 Energy: 0.49938201981265257 Energy: 0.49936827558816216 Energy: 0.4799186272763713 Energy: 0.48874859700238954 Energy: 0.48875019635109707 Energy: 0.5019558943883349 Energy: 0.5153769698843029 Energy: 0.515372364251453 Energy: 0.47992795827081475 Energy: 0.5041374982165397 Energy: 0.5041363560117822 Energy: 0.5324078356808633 Energy: 0.47759586663965004 Energy: 0.47759431611745007 minimum gb energy = 0.47640182095435235 eV minimum distance = 2.60727776287645 Angstroms sigma value = 1 ======================================== theta = 60.512874327058526 ======================================== Energy: 0.5085680097953792 Energy: 0.49848956764138636 Energy: 0.4985072676645839 Energy: 0.48743091213918616 Energy: 0.4911995280917165 Energy: 0.4912052451846811 Energy: 0.47774872216605035 Energy: 0.49299653033215646 Energy: 0.4929967509841915 Energy: 0.4860583774243026 Energy: 0.49919982508399385 Energy: 0.49920912493208197 Energy: 0.5263340222356103 Energy: 0.5120855875560378 Energy: 0.5120750290738963 Energy: 0.47280495338605516 Energy: 0.5757542998707565 Energy: 0.5757539952605953 Energy: 0.5382539519213634 Energy: 0.5206855349903174 Energy: 0.5206939376015205 Energy: 0.47774382469100435 Energy: 0.5564137987366617 Energy: 0.556402584693042 Energy: 0.47165505556588583 Energy: 0.48605974909326516 Energy: 0.4860584222111785 Energy: 0.4971996226926317 Energy: 0.4965573979239638 Energy: 0.4965580707464306 minimum gb energy = 0.47165505556588583 eV minimum distance = 2.5811482374226 Angstroms sigma value = 3 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.5455201355115143 Energy: 0.5198805733649791 Energy: 0.5198814667992728 Energy: 0.4613919516079411 Energy: 0.5094852231978896 Energy: 0.5094849226582284 Energy: 0.4539465961301089 Energy: 0.5049831248633642 Energy: 0.5049824628985837 Energy: 0.4613901320916841 Energy: 0.4625464069746775 Energy: 0.46255472606504144 Energy: 0.5028562265165976 Energy: 0.4882340911004548 Energy: 0.48823778421424635 Energy: 0.5218760898846214 Energy: 0.47530221625339436 Energy: 0.4753048545908551 Energy: 0.47805202295304655 Energy: 0.4753089165730129 Energy: 0.4753019401726819 Energy: 0.5455190318148675 Energy: 0.4625401395430317 Energy: 0.46255400189797 Energy: 0.46138691275059396 Energy: 0.55573115224795 Energy: 0.555746335489389 Energy: 0.45581376094826354 Energy: 0.5049815002684217 Energy: 0.5049830863399158 minimum gb energy = 0.4539465961301089 eV minimum distance = 2.59478312853985 Angstroms sigma value = 17 ======================================== theta = 63.2150044924978 ======================================== Energy: 0.5189395192921379 Energy: 0.4905516514215603 Energy: 0.4905657679205464 Energy: 0.4660100991274318 Energy: 0.509960924625455 Energy: 0.5099612574801675 Energy: 0.4692105893827041 Energy: 0.4934838947406448 Energy: 0.49347082676382165 Energy: 0.5229968771242492 Energy: 0.4924144896705379 Energy: 0.4924164777048293 Energy: 0.5168065403386686 Energy: 0.4668388903643946 Energy: 0.46682453733790585 Energy: 0.4717349545669196 Energy: 0.4884851365568503 Energy: 0.48844804047816626 Energy: 0.5116485990806768 Energy: 0.4755446835892788 Energy: 0.4755410292081075 Energy: 0.46306737777428425 Energy: 0.5510878290474915 Energy: 0.5511168559692772 Energy: 0.4659285881865545 Energy: 0.4887344790052299 Energy: 0.4887217015203522 Energy: 0.46826376779947376 Energy: 0.5010854097034425 Energy: 0.5010856746197188 minimum gb energy = 0.46306737777428425 eV minimum distance = 2.51109249740249 Angstroms sigma value = 233 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.48886448670583743 Energy: 0.47282871872467164 Energy: 0.4728263852098739 Energy: 0.4617064846569154 Energy: 0.5298753632054116 Energy: 0.5298638369148072 Energy: 0.47915093209214854 Energy: 0.47286998086497356 Energy: 0.47286799022983306 Energy: 0.4733726456873711 Energy: 0.46693489754580436 Energy: 0.46693621874508673 Energy: 0.46558331205377484 Energy: 0.5225616348491805 Energy: 0.5225533566550932 Energy: 0.4720210446502755 Energy: 0.48749837038314897 Energy: 0.4874897254026893 Energy: 0.46558428808013363 Energy: 0.48130052422209596 Energy: 0.4813015982666157 Energy: 0.5414639541221233 Energy: 0.477043800209505 Energy: 0.4770342338661061 Energy: 0.4660828059435044 Energy: 0.47592016669984427 Energy: 0.4759204495854081 Energy: 0.46170070324054985 Energy: 0.46346440022369934 Energy: 0.46345932425287645 minimum gb energy = 0.46170070324054985 eV minimum distance = 2.60358872956988 Angstroms sigma value = 89 ======================================== theta = 64.94238458169698 ======================================== Energy: 0.5114109530890213 Energy: 0.4770082740855498 Energy: 0.47699443699427485 Energy: 0.4729343256091433 Energy: 0.4746267096916837 Energy: 0.47462264998305403 Energy: 0.46857609172792736 Energy: 0.4786608687502398 Energy: 0.4786554559112542 Energy: 0.5009870931472651 Energy: 0.46073757193819515 Energy: 0.46074767128533356 Energy: 0.45644171406992173 Energy: 0.4876330450000541 Energy: 0.4876256130933863 Energy: 0.5559035060244493 Energy: 0.4559250234661681 Energy: 0.455914648281324 Energy: 0.4543120271641345 Energy: 0.45716292523848984 Energy: 0.45715879915859786 Energy: 0.4977209935873487 Energy: 0.46555982774148574 Energy: 0.4655671919480676 Energy: 0.45430876388456004 Energy: 0.45714899527228275 Energy: 0.4571497089837985 Energy: 0.5832588688129984 Energy: 0.4642215977139369 Energy: 0.46422916514904017 minimum gb energy = 0.45430876388456004 eV minimum distance = 2.604993601908 Angstroms sigma value = 85 ======================================== theta = 65.4704525442152 ======================================== Energy: 0.5034721948808951 Energy: 0.4715048893000761 Energy: 0.471504093745069 Energy: 0.45850176695947786 Energy: 0.5186188968948949 Energy: 0.5186086169111978 Energy: 0.4562989313809826 Energy: 0.46612036710301297 Energy: 0.4661120488324716 Energy: 0.4938470425169186 Energy: 0.46594599144515764 Energy: 0.4659506495847802 Energy: 0.4634734097089368 Energy: 0.46047948858955534 Energy: 0.4604629198604887 Energy: 0.4545890168054379 Energy: 0.5235127233166493 Energy: 0.5235079414016142 Energy: 0.464730978864083 Energy: 0.4949319040050514 Energy: 0.4949353851117319 Energy: 0.45544981368298143 Energy: 0.5304535593285798 Energy: 0.5304493003498166 Energy: 0.45413545090692753 Energy: 0.4754613391061643 Energy: 0.47546407623391806 Energy: 0.5107905027110098 Energy: 0.46091159733439674 Energy: 0.4609095131821145 minimum gb energy = 0.45413545090692753 eV minimum distance = 2.60068578497981 Angstroms sigma value = 69 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.4283845582786711 Energy: 0.4283847629201213 Energy: 0.428382864760856 Energy: 0.4283828495447383 Energy: 0.46447899817066884 Energy: 0.46447897186081866 Energy: 0.4249590684918676 Energy: 0.4461646708555969 Energy: 0.44616467085690076 Energy: 0.43485814706186093 Energy: 0.44616467066140664 Energy: 0.44616467648068153 Energy: 0.4348575216906023 Energy: 0.4461646713756105 Energy: 0.4461646755227398 Energy: 0.6017389087948752 Energy: 0.4348575512678734 Energy: 0.4348575203338492 Energy: 0.4348636580678697 Energy: 0.45509958715433313 Energy: 0.45509958716734233 Energy: 0.4283835057431321 Energy: 0.5111396256304672 Energy: 0.5111398569936179 Energy: 0.4348575596168657 Energy: 0.4461646712244486 Energy: 0.4461646713143575 Energy: 0.4283828573932457 Energy: 0.4461646709090266 Energy: 0.44616467293568096 minimum gb energy = 0.4249590684918676 eV minimum distance = 2.62638956151323 Angstroms sigma value = 13 ======================================== theta = 69.39030706246794 ======================================== Energy: 0.5191589014177078 Energy: 0.44175426346459157 Energy: 0.4417559810362992 Energy: 0.42910858873931385 Energy: 0.46451322605585854 Energy: 0.46451704033060914 Energy: 0.4400054668536927 Energy: 0.46332980681573205 Energy: 0.4633299944210503 Energy: 0.4260398318949915 Energy: 0.5444150765013553 Energy: 0.5443918975803338 Energy: 0.4297916367295325 Energy: 0.4381944071856366 Energy: 0.4382050534999347 Energy: 0.42500469255717793 Energy: 0.5717825442316576 Energy: 0.5717785728080745 Energy: 0.4258328071881096 Energy: 0.43526563492600867 Energy: 0.4352706946476207 Energy: 0.4689738819756373 Energy: 0.46999647299041414 Energy: 0.4699962810721083 Energy: 0.4434153027012561 Energy: 0.5128845044796355 Energy: 0.5128792583192193 Energy: 0.5059090755599741 Energy: 0.4699967759785752 Energy: 0.4699819478100745 minimum gb energy = 0.42500469255717793 eV minimum distance = 2.50480677388131 Angstroms sigma value = 125 ======================================== theta = 69.98404039711733 ======================================== Energy: 0.4783193114605725 Energy: 0.4406509371789938 Energy: 0.44064309306348787 Energy: 0.42723392571186036 Energy: 0.4645242396137463 Energy: 0.4645251315096663 Energy: 0.4540714207921147 Energy: 0.4516039672930476 Energy: 0.4516035418148435 Energy: 0.4193541830168255 Energy: 0.49277429160169794 Energy: 0.49275709970752546 Energy: 0.5368251578725796 Energy: 0.4268606769124171 Energy: 0.42685865255975186 Energy: 0.4540570186581352 Energy: 0.49885289108200487 Energy: 0.49885068174995323 Energy: 0.4178920993674706 Energy: 0.4718743061604633 Energy: 0.471877413356245 Energy: 0.5307712043461325 Energy: 0.4275669126177175 Energy: 0.4275751286118479 Energy: 0.42743484240142005 Energy: 0.5074161447188806 Energy: 0.5074397746214298 Energy: 0.4175350228841996 Energy: 0.5149948081489372 Energy: 0.5149938416603115 minimum gb energy = 0.4175350228841996 eV minimum distance = 2.5397726226254 Angstroms sigma value = 37 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.4346877923539381 Energy: 0.4165083542123413 Energy: 0.41650886463559994 Energy: 0.4065096365199329 Energy: 0.4783150579893435 Energy: 0.4783221589845531 Energy: 0.40651091982724413 Energy: 0.4225204866491418 Energy: 0.4225213041438504 Energy: 0.41651621957151247 Energy: 0.4247962771941198 Energy: 0.4247926944199713 Energy: 0.4855970140905824 Energy: 0.493889547693481 Energy: 0.4938903011540354 Energy: 0.4072993694266746 Energy: 0.4225390696345634 Energy: 0.42252077391086224 Energy: 0.41899146524316216 Energy: 0.4485146373817498 Energy: 0.4485144193895698 Energy: 0.5546088848152303 Energy: 0.49388950802707215 Energy: 0.4938867031216153 Energy: 0.42350063168088065 Energy: 0.4150722818171743 Energy: 0.41507158625519175 Energy: 0.4189982123219968 Energy: 0.44339010914626564 Energy: 0.4433917459815345 minimum gb energy = 0.4065096365199329 eV minimum distance = 2.62892810830546 Angstroms sigma value = 37 ======================================== theta = 72.05474677020722 ======================================== Energy: 0.5049301808364941 Energy: 0.4235780316960127 Energy: 0.42357616443980123 Energy: 0.394644987039553 Energy: 0.41347530349483225 Energy: 0.41347399050228495 Energy: 0.4015056302258394 Energy: 0.5330699125355535 Energy: 0.5330754117502892 Energy: 0.4030177219422034 Energy: 0.4114882335643341 Energy: 0.4114885064150536 Energy: 0.40005693560371053 Energy: 0.40875499048090325 Energy: 0.408754856169077 Energy: 0.4966294669346109 Energy: 0.45824604856419504 Energy: 0.45824893878285816 Energy: 0.4051423800157146 Energy: 0.45304277712649466 Energy: 0.4530424586019221 Energy: 0.5635519418715907 Energy: 0.4054819923200468 Energy: 0.40547249414445646 Energy: 0.40480547111336374 Energy: 0.46515013826825885 Energy: 0.4651560673855615 Energy: 0.40195794071943514 Energy: 0.438415584049772 Energy: 0.4384165972729328 minimum gb energy = 0.394644987039553 eV minimum distance = 2.62098105420058 Angstroms sigma value = 185 ======================================== theta = 72.50767547488958 ======================================== Energy: 0.48314229676902337 Energy: 0.4142683030537233 Energy: 0.41426442902438615 Energy: 0.4002484998418226 Energy: 0.47740483080971047 Energy: 0.47744551505324834 Energy: 0.4726513650058003 Energy: 0.4435223716903453 Energy: 0.44352990742063986 Energy: 0.40624236736697417 Energy: 0.5088757525081202 Energy: 0.5089050892596799 Energy: 0.4274258708117805 Energy: 0.43508499103790527 Energy: 0.4350815826792761 Energy: 0.40378112666486293 Energy: 0.557422753056567 Energy: 0.5574151085449175 Energy: 0.40163211271158483 Energy: 0.5075651480082299 Energy: 0.5075604593589929 Energy: 0.47348593511060305 Energy: 0.44106808916438506 Energy: 0.4410704951427296 Energy: 0.40573089691157554 Energy: 0.48956391687486045 Energy: 0.48956422391067245 Energy: 0.4726430742049295 Energy: 0.5001162721179374 Energy: 0.5001148176583646 minimum gb energy = 0.4002484998418226 eV minimum distance = 2.52455908989026 Angstroms sigma value = 173 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.4620674441332472 Energy: 0.3987626810616677 Energy: 0.398762764953568 Energy: 0.435723584112294 Energy: 0.45755766020199157 Energy: 0.45756294088464206 Energy: 0.38113780013674003 Energy: 0.3842995627191363 Energy: 0.38429952083378927 Energy: 0.3736555574537208 Energy: 0.537602036463979 Energy: 0.5376015551421108 Energy: 0.3765105285578064 Energy: 0.4317385962307022 Energy: 0.43173822685275653 Energy: 0.3811378007194361 Energy: 0.3936952848033864 Energy: 0.39369528118034125 Energy: 0.4357119901264826 Energy: 0.43624577685426813 Energy: 0.4362453288840968 Energy: 0.4620783293323937 Energy: 0.49353567042314345 Energy: 0.4935362246691146 Energy: 0.43572113234142623 Energy: 0.4935358640870196 Energy: 0.49353572155920644 Energy: 0.38113800678810444 Energy: 0.4480029468879698 Energy: 0.44800377228008276 minimum gb energy = 0.3736555574537208 eV minimum distance = 2.54544333181345 Angstroms sigma value = 25 ======================================== theta = 75.13718405765499 ======================================== Energy: 0.46102353418951003 Energy: 0.38677592142610945 Energy: 0.3867751659244101 Energy: 0.37073993947123196 Energy: 0.48618833832806374 Energy: 0.4861798931284592 Energy: 0.40915722151765804 Energy: 0.41595482260824335 Energy: 0.41596347863550887 Energy: 0.3656876082335108 Energy: 0.4826994155209226 Energy: 0.4826798591490296 Energy: 0.3754642082515346 Energy: 0.45654303870916274 Energy: 0.4564722347135574 Energy: 0.38781213810387327 Energy: 0.44896101039276176 Energy: 0.4490206695996542 Energy: 0.36798560349428217 Energy: 0.4534114297711184 Energy: 0.45341121876151996 Energy: 0.5668020622290689 Energy: 0.41064778405059765 Energy: 0.4106408384999428 Energy: 0.3692266086942172 Energy: 0.5235592892910309 Energy: 0.523539783959775 Energy: 0.3727092185778394 Energy: 0.3897317225906525 Energy: 0.38973559673154584 minimum gb energy = 0.3656876082335108 eV minimum distance = 2.61460656437635 Angstroms sigma value = 269 ======================================== theta = 75.74996730219641 ======================================== Energy: 0.47770130666616223 Energy: 0.3794217610765962 Energy: 0.3794215856174243 Energy: 0.3577326401806063 Energy: 0.43183972090214906 Energy: 0.4318397391942585 Energy: 0.3534850357798695 Energy: 0.465817121934635 Energy: 0.4658225660564051 Energy: 0.3715061767466678 Energy: 0.4710241673365057 Energy: 0.4710250129629307 Energy: 0.37150615452684327 Energy: 0.42706888045997426 Energy: 0.4270695286996286 Energy: 0.3584324211202025 Energy: 0.48003914918898344 Energy: 0.48003907825150566 Energy: 0.37608572640383076 Energy: 0.3612911007597557 Energy: 0.36129073387955757 Energy: 0.48438116035700113 Energy: 0.4710242377076925 Energy: 0.47102538065091104 Energy: 0.3584327482785564 Energy: 0.3865867892151232 Energy: 0.38658748715830016 Energy: 0.35843266915222727 Energy: 0.5254608804553922 Energy: 0.5254581647979534 minimum gb energy = 0.3534850357798695 eV minimum distance = 2.56102336503972 Angstroms sigma value = 65 ======================================== theta = 76.31445317473812 ======================================== Energy: 0.5011319991409685 Energy: 0.3725716560744331 Energy: 0.37256944109897727 Energy: 0.353460279163179 Energy: 0.43184428336077685 Energy: 0.43184667318176284 Energy: 0.3656469791176567 Energy: 0.47389389139993005 Energy: 0.4738931463909075 Energy: 0.37527836125785613 Energy: 0.3590779062950423 Energy: 0.3590774426270792 Energy: 0.3612943374977436 Energy: 0.37779076236492415 Energy: 0.37779126697822984 Energy: 0.5147678050956144 Energy: 0.39358717378260055 Energy: 0.39358669502154686 Energy: 0.36055921688750586 Energy: 0.3953830668902519 Energy: 0.3953882879176151 Energy: 0.5447568434483562 Energy: 0.39358702850072397 Energy: 0.3935852221851109 Energy: 0.36055537851485475 Energy: 0.4660330944417494 Energy: 0.46604407297880845 Energy: 0.4222913877793172 Energy: 0.3930724398664238 Energy: 0.3930691318645133 minimum gb energy = 0.353460279163179 eV minimum distance = 2.51496733823152 Angstroms sigma value = 79 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.4183926385520443 Energy: 0.39052049440413217 Energy: 0.39052048410265033 Energy: 0.3979066275925232 Energy: 0.444040418364805 Energy: 0.44404040842512127 Energy: 0.393606263124867 Energy: 0.35367581972258316 Energy: 0.3536752831530659 Energy: 0.34700544672351735 Energy: 0.537061754264857 Energy: 0.5370616367577609 Energy: 0.34700542034336596 Energy: 0.3843855541843387 Energy: 0.38438555103892197 Energy: 0.33819413204939625 Energy: 0.5239264348001458 Energy: 0.52392657016847 Energy: 0.39399702442795925 Energy: 0.3470071170258779 Energy: 0.34700681416202617 Energy: 0.4183926355064466 Energy: 0.45229842635488204 Energy: 0.45229875118312046 Energy: 0.39390884047277774 Energy: 0.37674561105347243 Energy: 0.3767456114270178 Energy: 0.37837823316646396 Energy: 0.46931056796649523 Energy: 0.4693110400703209 minimum gb energy = 0.33819413204939625 eV minimum distance = 2.55210917094086 Angstroms sigma value = 41 ======================================== theta = 78.57881372500071 ======================================== Energy: 0.4306576147496501 Energy: 0.3408391941900159 Energy: 0.3408211691599378 Energy: 0.32493617769433925 Energy: 0.4242884435164596 Energy: 0.424287375075437 Energy: 0.3258777459380494 Energy: 0.4201036509428279 Energy: 0.420104188508671 Energy: 0.4991984796804691 Energy: 0.3797696283605391 Energy: 0.37976667352971355 Energy: 0.4177843371154803 Energy: 0.4158105719997855 Energy: 0.4158112673775163 Energy: 0.336358884138843 Energy: 0.3708990321116895 Energy: 0.3708991041765564 Energy: 0.3342250664312456 Energy: 0.37747623940769365 Energy: 0.3774774079309056 Energy: 0.4934120374072578 Energy: 0.41996275566954167 Energy: 0.41996281887748427 Energy: 0.3489842870785251 Energy: 0.33025840761234954 Energy: 0.33025903069643575 Energy: 0.3258800400828319 Energy: 0.45261782248911253 Energy: 0.4526246744757359 minimum gb energy = 0.32493617769433925 eV minimum distance = 2.51658494080936 Angstroms sigma value = 101 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.46333833707856326 Energy: 0.3248998436546157 Energy: 0.324899221724064 Energy: 0.403338952522477 Energy: 0.3208282166110869 Energy: 0.3208288357890093 Energy: 0.315902485434431 Energy: 0.35411820935213534 Energy: 0.35411820143964623 Energy: 0.311044492235908 Energy: 0.3279512969965499 Energy: 0.3279502727318213 Energy: 0.3159016512779277 Energy: 0.35411840919524973 Energy: 0.3541184102108711 Energy: 0.3159032689513215 Energy: 0.3279501727936973 Energy: 0.3279501651291216 Energy: 0.3147982410931778 Energy: 0.39566682874070036 Energy: 0.39566188910079675 Energy: 0.4633518086649471 Energy: 0.3279501911384124 Energy: 0.3279501600997987 Energy: 0.45098771458419307 Energy: 0.39566258114257274 Energy: 0.3956639146136261 Energy: 0.3159024728446117 Energy: 0.36479237895912203 Energy: 0.36478908271735394 minimum gb energy = 0.311044492235908 eV minimum distance = 2.64050431118808 Angstroms sigma value = 15 ======================================== theta = 80.47271661854764 ======================================== Energy: 0.47005472140686344 Energy: 0.32473239764390444 Energy: 0.3247322197927453 Energy: 0.38019800285674116 Energy: 0.39826756317837153 Energy: 0.3982694735351246 Energy: 0.3058933251200937 Energy: 0.32162585551346967 Energy: 0.32162684909358846 Energy: 0.3311375137698762 Energy: 0.3216276015519045 Energy: 0.32162590326625984 Energy: 0.4705496874061169 Energy: 0.34087706918965094 Energy: 0.3408635542884571 Energy: 0.3090988465399305 Energy: 0.3660825605380316 Energy: 0.3660936842479561 Energy: 0.3015796073476328 Energy: 0.44896604123897554 Energy: 0.4489615256062717 Energy: 0.5197452359975939 Energy: 0.3819155367011662 Energy: 0.38190406731507753 Energy: 0.30997265435095916 Energy: 0.34530668900444295 Energy: 0.34530564791622853 Energy: 0.29888481632146524 Energy: 0.4307500614829287 Energy: 0.43075225104364334 minimum gb energy = 0.29888481632146524 eV minimum distance = 2.52022441629684 Angstroms sigma value = 145 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.42407905486005176 Energy: 0.30335962759504337 Energy: 0.3033606994826046 Energy: 0.30057574761059175 Energy: 0.3128201569136401 Energy: 0.3128201513416524 Energy: 0.29242788574366374 Energy: 0.41873375560692366 Energy: 0.4187305064008732 Energy: 0.28984286276216525 Energy: 0.41420095111545613 Energy: 0.4142005496589299 Energy: 0.2931059342661728 Energy: 0.35743277054383094 Energy: 0.3574281858046519 Energy: 0.2931063430403745 Energy: 0.31282024034432765 Energy: 0.31282023184113483 Energy: 0.30058213626734276 Energy: 0.30637997206840667 Energy: 0.3063775955260107 Energy: 0.4240778718822166 Energy: 0.31282016340760943 Energy: 0.31282024480719317 Energy: 0.3731897853499335 Energy: 0.41877422114761 Energy: 0.41877427101805675 Energy: 0.3036012524752599 Energy: 0.292425943413242 Energy: 0.29242645557978103 minimum gb energy = 0.28984286276216525 eV minimum distance = 2.63098329225452 Angstroms sigma value = 85 ======================================== theta = 81.82876644005026 ======================================== Energy: 0.4687938901747432 Energy: 0.2983468354363949 Energy: 0.29834674433436703 Energy: 0.2867016718539775 Energy: 0.3003636944130009 Energy: 0.3003520187661381 Energy: 0.28711083853561836 Energy: 0.297600150651758 Energy: 0.29760030730929043 Energy: 0.34616957280274724 Energy: 0.3066751550725079 Energy: 0.3066649919652813 Energy: 0.3461688150284497 Energy: 0.32648600022542595 Energy: 0.3264861739400268 Energy: 0.2854718045647801 Energy: 0.32648654193951926 Energy: 0.3264865879072073 Energy: 0.2852678583643665 Energy: 0.30021107298436817 Energy: 0.30021156686056305 Energy: 0.5109156950931744 Energy: 0.37589746763475373 Energy: 0.37589806783768653 Energy: 0.35849045297900634 Energy: 0.4035320989431003 Energy: 0.40353312778159744 Energy: 0.2809004433575145 Energy: 0.3527869840471499 Energy: 0.3527900107268024 minimum gb energy = 0.2809004433575145 eV minimum distance = 2.52684977767687 Angstroms sigma value = 197 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.4342899791046166 Energy: 0.29716194375638144 Energy: 0.297167410777461 Energy: 0.3194384298773719 Energy: 0.29210002428934423 Energy: 0.2921001434509694 Energy: 0.293830282288044 Energy: 0.3349217080927964 Energy: 0.33491611218877587 Energy: 0.2665287851025615 Energy: 0.36615434935917157 Energy: 0.3661554103008687 Energy: 0.3047333163374528 Energy: 0.3661540789853786 Energy: 0.3661540875171104 Energy: 0.29243511501689484 Energy: 0.3377288208718748 Energy: 0.3377288129404631 Energy: 0.40140035399105006 Energy: 0.30213826607660416 Energy: 0.3021374200516388 Energy: 0.43428279130115827 Energy: 0.2921008300375122 Energy: 0.2920999683411596 Energy: 0.3194384163017681 Energy: 0.2761448139832046 Energy: 0.2761444610577114 Energy: 0.2807981362774893 Energy: 0.29209995161189956 Energy: 0.2921001099734725 minimum gb energy = 0.2665287851025615 eV minimum distance = 2.64636501168384 Angstroms sigma value = 113 ======================================== theta = 83.2670786731404 ======================================== Energy: 0.41619727998530215 Energy: 0.2735030287587665 Energy: 0.2735004740450932 Energy: 0.4322919705009549 Energy: 0.3084315495781821 Energy: 0.30844194084782733 Energy: 0.2570394819798343 Energy: 0.28240750210736104 Energy: 0.2824064486972455 Energy: 0.25704206853302064 Energy: 0.2824070948662889 Energy: 0.28240570149638783 Energy: 0.24887337457764513 Energy: 0.36171916727802056 Energy: 0.36171937223924466 Energy: 0.2630268624136419 Energy: 0.2676634571707585 Energy: 0.2676634570857188 Energy: 0.39918439657864635 Energy: 0.3551255806845451 Energy: 0.35512563509722844 Energy: 0.45287027007054287 Energy: 0.28240561271933673 Energy: 0.2824055785020846 Energy: 0.3491114573396354 Energy: 0.28240602917404556 Energy: 0.28240640888742835 Energy: 0.31166223588346104 Energy: 0.3519020816963195 Energy: 0.3519029073425471 minimum gb energy = 0.24887337457764513 eV minimum distance = 2.5290949206599 Angstroms sigma value = 145 ======================================== theta = 83.97442499163331 ======================================== Energy: 0.4522627682557696 Energy: 0.2679621112091622 Energy: 0.2679620465898009 Energy: 0.37260975355095816 Energy: 0.25970748523294823 Energy: 0.2597127308722623 Energy: 0.2619821277037834 Energy: 0.31374698651195093 Energy: 0.3137469402897285 Energy: 0.24937073176617966 Energy: 0.25970749742299093 Energy: 0.25971432799444766 Energy: 0.24072161821477328 Energy: 0.27299955383939134 Energy: 0.272999580787032 Energy: 0.31281495545440907 Energy: 0.3340391732501193 Energy: 0.33403854374059744 Energy: 0.2806936400214221 Energy: 0.25970766536977663 Energy: 0.2597161401829701 Energy: 0.4472932901371502 Energy: 0.26617244562631587 Energy: 0.2661699360899042 Energy: 0.4594574597824846 Energy: 0.2857089242490992 Energy: 0.28570875553106856 Energy: 0.25194041008384344 Energy: 0.27299974748863726 Energy: 0.273001344008325 minimum gb energy = 0.24072161821477328 eV minimum distance = 2.64753702672248 Angstroms sigma value = 181 ======================================== theta = 84.54737801218748 ======================================== Energy: 0.4064155300294503 Energy: 0.2510856102926864 Energy: 0.2510856005647462 Energy: 0.30792705760719913 Energy: 0.29985149152731516 Energy: 0.29985142170084333 Energy: 0.234353481353405 Energy: 0.28833312411011996 Energy: 0.28833490752336755 Energy: 0.23435309572713275 Energy: 0.24700166475015514 Energy: 0.24700262502614362 Energy: 0.2343531236335781 Energy: 0.25216442487011903 Energy: 0.252168456229325 Energy: 0.23435314971549742 Energy: 0.25796886179450096 Energy: 0.25796966209680944 Energy: 0.30792706350117377 Energy: 0.25216395261864893 Energy: 0.25216433686324463 Energy: 0.43032908225553773 Energy: 0.252163778875093 Energy: 0.2521637689363077 Energy: 0.3110472259606453 Energy: 0.25216380177231396 Energy: 0.25216389568106895 Energy: 0.22787483392510147 Energy: 0.25216393201692 Energy: 0.2521650574170566 minimum gb energy = 0.22787483392510147 eV minimum distance = 2.64479882215988 Angstroms sigma value = 55 ======================================== theta = 85.02089415600169 ======================================== Energy: 0.38562199443528444 Energy: 0.240155347319833 Energy: 0.24015865165281536 Energy: 0.2972634814058676 Energy: 0.24033006027437276 Energy: 0.24034183388158636 Energy: 0.3150308727637917 Energy: 0.2281125271180095 Energy: 0.2281138897812049 Energy: 0.21739351380082192 Energy: 0.24503685381479387 Energy: 0.24503680630643698 Energy: 0.2283781644138609 Energy: 0.26640554422665386 Energy: 0.26640557892055455 Energy: 0.2221175176241227 Energy: 0.2358466701488027 Energy: 0.23584662184489646 Energy: 0.2218631806606342 Energy: 0.2248665688362432 Energy: 0.22486348882821997 Energy: 0.43347613466802865 Energy: 0.24503667642779683 Energy: 0.24503720547351218 Energy: 0.2955184213678312 Energy: 0.23186129350149984 Energy: 0.2318632935730144 Energy: 0.22186317455707327 Energy: 0.24503674136554168 Energy: 0.24504043071084897 minimum gb energy = 0.21739351380082192 eV minimum distance = 2.64490076905664 Angstroms sigma value = 265 ======================================== theta = 85.41877991472295 ======================================== Energy: 0.415115055836358 Energy: 0.2303945399179544 Energy: 0.2303952267407707 Energy: 0.25054451100570274 Energy: 0.27527471309467866 Energy: 0.2752746971301516 Energy: 0.21685471273317028 Energy: 0.2262692921117716 Energy: 0.22626792857771474 Energy: 0.20579502099880537 Energy: 0.22997631013555117 Energy: 0.22997633110371068 Energy: 0.21685480552575773 Energy: 0.22626687353940905 Energy: 0.22626693292370045 Energy: 0.21194103096809996 Energy: 0.22998176312460153 Energy: 0.22997667060580748 Energy: 0.27807278410079134 Energy: 0.23407433768609398 Energy: 0.23407459541370218 Energy: 0.41211072460654957 Energy: 0.22997630738037422 Energy: 0.2299764438017341 Energy: 0.3432063162110492 Energy: 0.23407442068163245 Energy: 0.2340757772022261 Energy: 0.21409946413884148 Energy: 0.22997789677159056 Energy: 0.22997626934534632 minimum gb energy = 0.20579502099880537 eV minimum distance = 2.64274085813503 Angstroms sigma value = 39 ======================================== theta = 85.7578072066771 ======================================== Energy: 0.39572247009750255 Energy: 0.22193188256000052 Energy: 0.2219318349659224 Energy: 0.2688005686670733 Energy: 0.22106583717935183 Energy: 0.22106591622490132 Energy: 0.24190500256025477 Energy: 0.2177821457267383 Energy: 0.21778463899105796 Energy: 0.19740194678443485 Energy: 0.2177820557431281 Energy: 0.21778203972105264 Energy: 0.20318802980024075 Energy: 0.22449274423397073 Energy: 0.22449307590708317 Energy: 0.20726986798913083 Energy: 0.3148761250012489 Energy: 0.31488001454114334 Energy: 0.26880282579823256 Energy: 0.21778203537485608 Energy: 0.2177820352370996 Energy: 0.2244927086528028 Energy: 0.2177822009260564 Energy: 0.21778203112950498 Energy: 0.24274619265801034 Energy: 0.26130161219440445 Energy: 0.2613003161443362 Energy: 0.25836522182729516 Energy: 0.21778218671423258 Energy: 0.2177820306301993 minimum gb energy = 0.19740194678443485 eV minimum distance = 2.64112570055958 Angstroms sigma value = 91 ======================================== theta = 86.05013197823605 ======================================== Energy: 0.3786659749099949 Energy: 0.21438500541472388 Energy: 0.21438292178928725 Energy: 0.26056598925207936 Energy: 0.21318471365923589 Energy: 0.21318470317227656 Energy: 0.19904782423580838 Energy: 0.21622629039913685 Energy: 0.21622541423125188 Energy: 0.1958666800875699 Energy: 0.21938270776969454 Energy: 0.21938127629866205 Energy: 0.19348081476569523 Energy: 0.21318471171709838 Energy: 0.21318487149673476 Energy: 0.2906320360945448 Energy: 0.2512564917179665 Energy: 0.2512517441225779 Energy: 0.35685411734061057 Energy: 0.23163775699510647 Energy: 0.23163919051817264 Energy: 0.21938135909245907 Energy: 0.21622540326567355 Energy: 0.21622540817592373 Energy: 0.3121825235292451 Energy: 0.21938124051392435 Energy: 0.2193813293928773 Energy: 0.2031402949093583 Energy: 0.24666977758853206 Energy: 0.24666826149379412 minimum gb energy = 0.19348081476569523 eV minimum distance = 2.63940843405219 Angstroms sigma value = 105 ======================================== theta = 90.0 ======================================== Energy: 0.012425025983508017 Energy: 0.012425025988815518 Energy: 0.012425025985491247 Energy: 0.012425025987153383 Energy: 0.15064227971487792 Energy: 0.15064227972384966 Energy: 0.012425025987493362 Energy: 0.150642279715879 Energy: 0.15064227972018546 Energy: 0.012425025989476594 Energy: 0.15064227971620006 Energy: 0.15064227971221472 Energy: 0.0124250259891555 Energy: 0.1506422797228486 Energy: 0.15064227972350971 Energy: 0.01242502598583123 Energy: 0.15064227972184757 Energy: 0.15064227971886326 Energy: 0.012425025987153383 Energy: 0.15064227971886326 Energy: 0.15064227971686117 Energy: 0.0124250259891555 Energy: 0.012425025988494424 Energy: 0.012425025986492306 Energy: 0.012425025990477654 Energy: 0.150642279715879 Energy: 0.15064227971918437 Energy: 0.012425025990477654 Energy: 0.150642279715879 Energy: 0.15064227971620006 minimum gb energy = 0.012425025983508017 eV minimum distance = 2.90239327745044 Angstroms sigma value = 1