Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.615000009536743 cohesive_energy=3.5402784116231247 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.016767464271332418 Energy: 0.4205154879681202 Energy: 0.43669679106573556 Energy: 0.42052742925706443 Energy: 0.01676746427207215 Energy: 0.42051548796937216 Energy: 0.4366967910669874 Energy: 0.43604285564633627 Energy: 0.01715190558580377 Energy: 0.23039110588072573 Energy: 0.01721589930014759 Energy: 0.43604285564883993 Energy: 0.01715190558605983 Energy: 0.23039110588248973 Energy: 0.016767464271076355 Energy: 0.42051548796763655 Energy: 0.4366967910665037 Energy: 0.42052742925706443 Energy: 0.01676746427184454 Energy: 0.4205154879688885 Energy: 0.4366967910672434 Energy: 0.43604285564733203 Energy: 0.01715190558580377 Energy: 0.23039110588072573 Energy: 0.01721589930091577 Energy: 0.43604285565009177 Energy: 0.017151905586543496 Energy: 0.23039110588146547 Energy: 0.01676746427184454 Energy: 0.4205154879678642 Energy: 0.7457198488070859 Energy: 0.42052742925706443 Energy: 0.016767464272328208 Energy: 0.42051548796937216 Energy: 0.7457198488078256 Energy: 0.4360428556468483 Energy: 0.01715190558554771 Energy: 0.23039110588072573 Energy: 0.01721589930091577 Energy: 0.4360428556495797 Energy: 0.017151905586543496 Energy: 0.23039110588146547 minimum gb energy = 0.016767464271076355 eV minimum distance = 2.53443324490935 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0116586977640634 Energy: 0.962311720136376 Energy: 1.0052282145453613 Energy: 0.9628756909789665 Energy: 1.0116586977518283 Energy: 0.9623117201394347 Energy: 1.0052282145514786 Energy: 0.9456498685467493 Energy: 0.9459922599768892 Energy: 0.9411977446000448 Energy: 0.969227963588038 Energy: 0.9456498685345143 Energy: 0.9459922599952417 Energy: 0.9411977445939272 Energy: 0.9413617200828346 Energy: 0.948617517200973 Energy: 0.9470217491651887 Energy: 0.9641566468060049 Energy: 0.9413617200980726 Energy: 0.948617517213208 Energy: 0.9470217491896586 Energy: 1.026958801706508 Energy: 0.955061070806018 Energy: 0.9248492934344477 Energy: 0.9624870650380226 Energy: 1.026958801706508 Energy: 0.9550610708212561 Energy: 0.924849293440565 Energy: 0.9525412518219886 Energy: 0.9368545651696919 Energy: 0.9937032211008917 Energy: 0.9364426418689109 Energy: 0.9525412518219886 Energy: 0.9368545651666332 Energy: 0.9937032210978329 Energy: 0.9753102072572485 Energy: 0.9573510544974867 Energy: 0.9728525370598792 Energy: 0.9455869735043865 Energy: 0.975310207263366 Energy: 0.957351054482193 Energy: 0.9728525370629381 Energy: 0.937990354795982 Energy: 0.9598601689226957 Energy: 0.9700562414354698 Energy: 0.9582040329623893 Energy: 0.9379903547776294 Energy: 0.9598601689043431 Energy: 0.9700562414629987 Energy: 0.9384650071164148 Energy: 0.9446536000302611 Energy: 0.9485779431965394 Energy: 0.944525972490333 Energy: 0.9384650071225323 Energy: 0.9446536000424961 Energy: 0.9485779432118331 Energy: 0.9267980203721266 Energy: 0.9629343963555648 Energy: 0.9398942027162129 Energy: 0.9545410226029053 Energy: 0.9267980203751853 Energy: 0.9629343963494473 Energy: 0.9398942027009193 Energy: 0.9531207397389954 Energy: 0.957330424301205 Energy: 0.9542922568797365 Energy: 0.9551589129104832 Energy: 0.9531207397328778 Energy: 0.9573304242889699 Energy: 0.9542922568644429 Energy: 0.9476357092376617 Energy: 0.9576737161680984 Energy: 0.9319760563326125 Energy: 1.0046123841377494 Energy: 0.947635709234603 Energy: 0.9576737161466872 Energy: 0.9319760563601414 Energy: 0.9700353654017422 Energy: 0.9617587531257039 Energy: 0.9796513209317899 Energy: 0.9402782057520473 Energy: 0.9700353653956247 Energy: 0.9617587531073514 Energy: 0.9796513209409662 Energy: 1.0216687280373096 Energy: 0.9877741886506096 Energy: 0.9491636493368373 Energy: 0.9690609129625941 Energy: 1.021668728022016 Energy: 0.9877741886444921 Energy: 0.9491636493337784 Energy: 0.9364937301488355 Energy: 0.9873610485041703 Energy: 0.9448431174145893 Energy: 0.9424386104673135 Energy: 0.9364937301396594 Energy: 0.987361048476697 Energy: 0.9448431174390594 Energy: 0.9508912635962674 Energy: 0.9530035197551078 Energy: 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0.9519709307328361 Energy: 0.9381492449608123 Energy: 0.9468349089272431 Energy: 0.9379365222266894 Energy: 0.9556056137335337 Energy: 0.9577641497884124 Energy: 0.9528890475077482 Energy: 0.9379365222236308 Energy: 0.9556056137243575 Energy: 0.9577641497914711 Energy: 0.9382510421467516 Energy: 0.955003391303335 Energy: 0.9474944802133319 Energy: 0.9562329293430696 Energy: 0.9382510421314578 Energy: 0.9550033913063938 Energy: 0.947494480250037 Energy: 0.9471266088373814 Energy: 0.9437964768418653 Energy: 0.9713333332326299 Energy: 0.9434964970497419 Energy: 0.9471266088465575 Energy: 0.9437964768479828 Energy: 0.9713333332509826 Energy: 0.981448061568584 Energy: 0.9478992417754126 Energy: 0.9739189196655208 Energy: 0.9554173809161759 Energy: 0.9814480615808189 Energy: 0.9478992417784714 Energy: 0.973918919662462 Energy: 0.9541233611634392 Energy: 0.9572851009996965 Energy: 0.9742221576206713 Energy: 0.9557315821317105 Energy: 0.9541233611481456 Energy: 0.9572851010119316 Energy: 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0.9547391997932596 Energy: 0.9641624367435749 Energy: 0.9782255131731153 Energy: 0.9433517935012607 Energy: 0.9448660709885619 Energy: 0.9598198452243536 Energy: 0.9782255131731153 Energy: 0.9433517934920845 Energy: 0.9448660709793857 Energy: 1.0217753913346088 Energy: 0.9685720751996506 Energy: 0.9767163155871655 Energy: 0.9882996622132979 Energy: 1.021775391346844 Energy: 0.9685720752057682 Energy: 0.976716315568813 Energy: 1.0009313649537686 Energy: 0.9457348341918713 Energy: 0.9795209405400963 Energy: 0.9557320280359651 Energy: 1.0009313649567717 Energy: 0.9457348341888127 Energy: 0.9795209405217439 Energy: 0.9269161943368663 Energy: 0.959090517422615 Energy: 0.9627671620570654 Energy: 0.959688037015346 Energy: 0.9269161943185694 Energy: 0.9590905174287325 Energy: 0.9627671620784767 Energy: 0.9517838855715036 Energy: 0.9837648677822685 Energy: 0.9689768617696027 Energy: 0.9834744040065133 Energy: 0.9517838855654418 Energy: 0.9837648677700891 Energy: 0.9689768617665439 Energy: 0.926912323676722 Energy: 0.9690743618401464 Energy: 0.954396952990403 Energy: 0.9548767744284195 Energy: 0.9269123236553662 Energy: 0.9690743618432052 Energy: 0.954396952990403 minimum gb energy = 0.9248492934344477 eV minimum distance = 2.29142235388631 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.9918627683924084 Energy: 0.9832207076415094 Energy: 0.9658634327959675 Energy: 0.9774079159076955 Energy: 0.991862768394176 Energy: 0.9832207076366485 Energy: 0.9658634327931899 Energy: 0.9435910197765202 Energy: 0.9620548168132861 Energy: 0.9840969019763788 Energy: 0.967612849075167 Energy: 0.9435910197671141 Energy: 0.9620548168112028 Energy: 0.984096901984333 Energy: 0.9358759833185752 Energy: 0.970617771750198 Energy: 0.9873597502897935 Energy: 0.9718784047008541 Energy: 0.9358759833151032 Energy: 0.9706177717533544 Energy: 0.9873597502946544 Energy: 0.9522449589012014 Energy: 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0.9995991214796663 Energy: 0.9520821660551493 Energy: 0.9560652777571226 Energy: 0.9873558019309384 Energy: 0.9613445817687428 Energy: 0.9520821660454276 Energy: 0.9560652777644454 Energy: 0.9873558019295496 Energy: 0.9521877647259781 Energy: 0.9859137249370632 Energy: 0.9783638929325208 Energy: 0.9621854861731094 Energy: 0.9521877647242737 Energy: 0.9859137249460904 Energy: 0.9783638929325208 Energy: 0.9358980487668183 Energy: 0.9695725939183952 Energy: 1.0081075623640567 Energy: 0.9776188859005484 Energy: 0.9358980487772344 Energy: 0.9695725939229405 Energy: 1.0081075623567972 Energy: 0.949231928574913 Energy: 0.9611395791477236 Energy: 1.0452833114236182 Energy: 0.9674026994309106 Energy: 0.9492319285831828 Energy: 0.9611395791487336 Energy: 1.0452833114226083 Energy: 0.9566886598654442 Energy: 0.9832207076345653 Energy: 0.9628675713141386 Energy: 0.977407915910473 Energy: 0.956688659882741 Energy: 0.983220707633871 Energy: 0.9628675713238601 Energy: 0.9435910197754469 Energy: 0.9620548168177682 Energy: 0.9840969019763788 Energy: 0.9670551846625633 Energy: 0.9435910197695762 Energy: 0.9620548168136017 Energy: 0.9840969019854061 minimum gb energy = 0.9309312425225734 eV minimum distance = 2.25634623263653 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0288931903303689 Energy: 0.9671205091228479 Energy: 1.0144012122433979 Energy: 0.9671143173285961 Energy: 1.0288931903307696 Energy: 0.967120509133235 Energy: 1.0144012122437986 Energy: 1.0027353371646475 Energy: 0.9806573391604879 Energy: 0.9922239496915253 Energy: 0.962563949708237 Energy: 1.0027353371654493 Energy: 0.9806573391689072 Energy: 0.9922239496943316 Energy: 0.9647517786591239 Energy: 0.9471555447046636 Energy: 1.0162328424763125 Energy: 0.9714906014312202 Energy: 0.9647517786563173 Energy: 0.9471555447042991 Energy: 0.9943329958531121 Energy: 0.9658828861203219 Energy: 0.9720171440067038 Energy: 1.0528751378757293 Energy: 0.9493056365565153 Energy: 0.9658828861211238 Energy: 0.9720171440034966 Energy: 1.052875137876531 Energy: 1.0025586302691087 Energy: 0.9724906682588128 Energy: 1.0265950287140848 Energy: 0.9450791528872842 Energy: 1.002558630264298 Energy: 0.9724906682620201 Energy: 1.0265950287164902 Energy: 0.9656349281768112 Energy: 0.9505325017343559 Energy: 0.9948046774286603 Energy: 0.9458968660071077 Energy: 0.9656349281780139 Energy: 0.9505325017371623 Energy: 0.9948046774274576 Energy: 0.9642894414508466 Energy: 0.9801312234944206 Energy: 0.991278759404805 Energy: 0.9849211203952943 Energy: 0.9642894414472384 Energy: 0.9801312234988306 Energy: 0.9912787594015977 Energy: 0.965489828125656 Energy: 0.971461269586591 Energy: 0.9887800762870738 Energy: 0.9731526996397087 Energy: 0.965489828126057 Energy: 0.9714612695785728 Energy: 0.9887800762942902 Energy: 0.9639917016700877 Energy: 0.9712742571176105 Energy: 0.9759636439032074 Energy: 0.9977084908324219 Energy: 0.9639917016648759 Energy: 0.9712742571123987 Energy: 0.9759636439024055 Energy: 0.9698738273221081 Energy: 0.9825993152699977 Energy: 1.0000484478805816 Energy: 0.9689000622904267 Energy: 0.9698738273221081 Energy: 0.9825993152707996 Energy: 1.0000484478769733 Energy: 1.0222960581420797 Energy: 0.9644463818560617 Energy: 1.0038922697376642 Energy: 0.9490433953343876 Energy: 1.0222960581460891 Energy: 0.9644463818556607 Energy: 1.0038922697352588 Energy: 1.0089315935464962 Energy: 0.9835878503590019 Energy: 1.0098067427274284 Energy: 0.9996960903827614 Energy: 1.008931593551307 Energy: 0.9835878503634119 Energy: 1.0098067427258248 Energy: 1.0061874957678043 Energy: 0.9745910355151982 Energy: 1.0420245822936627 Energy: 0.9687509451031092 Energy: 1.0061874957649977 Energy: 0.9745910355147973 Energy: 1.042024582291257 Energy: 0.9778178679344969 Energy: 0.9485422982463884 Energy: 1.006069542544629 Energy: 0.948564842128565 Energy: 0.9778178679381051 Energy: 0.9485422982467894 Energy: 1.0060695425430257 Energy: 1.0061060494853196 Energy: 0.9687524637102597 Energy: 1.0421366394717535 Energy: 0.9745669747890846 Energy: 1.0061060494821121 Energy: 0.9687524637130661 Energy: 1.0421366394741591 Energy: 1.0088554791076187 Energy: 0.99947562680515 Energy: 1.009682441229284 Energy: 0.9836044269512035 Energy: 1.0088554791096234 Energy: 0.9994756268079564 Energy: 1.0096824412300858 Energy: 1.0223280244013069 Energy: 0.949027330222498 Energy: 0.9970345288292753 Energy: 0.962726996034207 Energy: 1.0223280244053161 Energy: 0.9490273302241015 Energy: 0.9970345288276716 Energy: 0.9698872061184296 Energy: 0.9689275068626614 Energy: 1.0000070858730967 Energy: 0.9824701021613749 Energy: 0.9698872061144206 Energy: 0.968927506863463 Energy: 1.0000070858799122 Energy: 0.9640424442347443 Energy: 0.9977025312189745 Energy: 0.964202055279483 Energy: 0.9711439114350136 Energy: 0.9640424442335415 Energy: 0.9977025312221818 Energy: 0.9642020552718656 Energy: 0.9654808386312905 Energy: 0.9731614368352238 Energy: 0.9888931262777856 Energy: 0.9714704957087189 Energy: 0.9654808386357006 Energy: 0.9731614368308503 Energy: 0.9888931262793893 Energy: 0.9642075353672063 Energy: 0.9849570133031574 Energy: 0.9951408872917386 Energy: 0.980227114205268 Energy: 0.9642075353656027 Energy: 0.9849570133015537 Energy: 0.9951408872877294 Energy: 0.965641935298757 Energy: 0.9458960683834559 Energy: 0.9947216384620517 Energy: 0.9505027808645038 Energy: 0.9656419352951489 Energy: 0.9458960683870642 Energy: 0.9947216384624527 Energy: 1.0024913417972943 Energy: 0.9450415306920413 Energy: 0.9474587116421215 Energy: 0.9723653605062156 Energy: 1.0024913417992989 Energy: 0.9450415306964514 Energy: 0.947458711596053 Energy: 0.9659974731419737 Energy: 0.9493688915991187 Energy: 1.0529211104979646 Energy: 0.9712062412056011 Energy: 0.9659974731399692 Energy: 0.9493688916035288 Energy: 1.0529211104947573 Energy: 0.9646134116864065 Energy: 0.9715360384352931 Energy: 0.970176614117982 Energy: 0.9472356639394693 Energy: 0.9646134116840012 Energy: 0.9715360384344914 Energy: 0.97017661411718 Energy: 1.0027464928267955 Energy: 0.962760936208786 Energy: 0.9921778626299368 Energy: 0.980547441682695 Energy: 1.002746492827998 Energy: 0.9627609362035741 Energy: 0.9921778626331442 Energy: 1.0288931903291663 Energy: 0.9671205091292623 Energy: 1.0319807388136277 Energy: 0.9671143173353752 Energy: 1.0288931903311707 Energy: 0.9671205091256542 Energy: 1.031980738813227 Energy: 1.002735337166652 Energy: 0.9806573391632942 Energy: 0.9922239496919261 Energy: 0.9625639497146516 Energy: 1.002735337161841 Energy: 0.9806573391652988 Energy: 0.992223949692728 Energy: 0.9647517786571193 Energy: 0.9471555447006909 Energy: 1.0480846657565213 Energy: 0.9714906014215984 Energy: 0.9647517786643357 Energy: 0.9471555447022946 Energy: 1.0480846657521112 Energy: 0.9658828861199211 Energy: 0.9720171440034966 Energy: 1.052875137878536 Energy: 0.9493056365565153 Energy: 0.9658828861191192 Energy: 0.972017144001893 Energy: 1.052875137878135 Energy: 1.0025586302695098 Energy: 0.9724906682604165 Energy: 1.0288931400193082 Energy: 0.9450791528876851 Energy: 1.0025586302747216 Energy: 0.972490668263223 Energy: 1.0288931400189072 Energy: 0.9656349281808203 Energy: 0.9505325017359596 Energy: 0.9948046774258539 Energy: 0.9458968660063057 Energy: 0.9656349281792167 Energy: 0.9505325017355587 Energy: 0.9948046774270567 Energy: 0.9642894414424275 Energy: 0.9801312235000335 Energy: 0.9882878191153424 Energy: 0.9849211204020736 Energy: 0.9642894414476392 Energy: 0.9801312234940198 Energy: 0.9882878191141397 Energy: 0.9654898281220476 Energy: 0.9714612695777709 Energy: 0.9887800762918848 Energy: 0.9731526996365015 Energy: 0.9654898281224487 Energy: 0.9714612695833837 Energy: 0.9887800762858712 Energy: 0.9639917016704888 Energy: 0.9712742571132004 Energy: 1.0066275331576473 Energy: 0.99770849083162 Energy: 0.9639917016720922 Energy: 0.971274257115606 Energy: 1.0066275331624581 Energy: 0.9698738273176981 Energy: 0.9825993152736059 Energy: 1.0000484478657476 Energy: 0.9689000622884221 Energy: 0.9698738273197027 Energy: 0.982599315268795 Energy: 1.0000484478677523 minimum gb energy = 0.9450415306920413 eV minimum distance = 2.29411484500326 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.969261952785413 Energy: 0.992934840643537 Energy: 1.0107743805503844 Energy: 0.9929605632845487 Energy: 0.9692619527811547 Energy: 0.9929348406416443 Energy: 1.008873263735307 Energy: 0.9579400220536108 Energy: 0.9685555901102632 Energy: 0.9007457213751308 Energy: 0.9670087110237383 Energy: 0.9579400220512451 Energy: 0.9685555901055746 Energy: 0.9007457213718186 Energy: 0.9693878408314766 Energy: 0.9031441211626561 Energy: 0.9716933356622051 Energy: 0.9675547088883201 Energy: 0.9693878408376275 Energy: 0.9031441211673875 Energy: 0.9716933356664635 Energy: 0.9643793262867605 Energy: 1.0003643455666524 Energy: 0.9006941835232791 Energy: 0.9798221152388137 Energy: 0.9643793262881799 Energy: 1.000364345561448 Energy: 0.900694183528484 Energy: 1.0196197015948685 Energy: 0.9672703199775918 Energy: 0.9714529576110026 Energy: 0.9674149298497187 Energy: 1.0196197015981805 Energy: 0.9672703199695483 Energy: 0.9714529576048515 Energy: 0.9644818735111035 Energy: 0.970904965219225 Energy: 1.0422036012598908 Energy: 0.9786834012643585 Energy: 0.9644818735281372 Energy: 0.9709049652111814 Energy: 1.042203601272666 Energy: 1.0930779672389197 Energy: 0.9670276363891002 Energy: 0.9914494350635652 Energy: 0.9670603814462815 Energy: 1.093077967240339 Energy: 0.9670276363914659 Energy: 0.9833003417877844 Energy: 0.9714113944781286 Energy: 0.9026228950186647 Energy: 1.0284965324305948 Energy: 0.9026905840741263 Energy: 0.9714113944880648 Energy: 0.9026228950233961 Energy: 1.0284965324268094 Energy: 1.0938444688237368 Energy: 0.9670298377734826 Energy: 0.9903257443484891 Energy: 0.9674284355964248 Energy: 1.093844468827522 Energy: 0.9670298377701705 Energy: 0.9903257443499084 Energy: 0.9642831390693776 Energy: 0.9786903129973588 Energy: 1.0419981544472836 Energy: 0.9708690371891753 Energy: 0.9642831390689044 Energy: 0.9786903130035098 Energy: 1.0419981544444448 Energy: 1.0196178346299383 Energy: 0.9672900631535457 Energy: 0.9018685570590067 Energy: 0.9674143301330861 Energy: 1.01961783461669 Energy: 0.9672900631417168 Energy: 0.9018685570613725 Energy: 0.9644084209336263 Energy: 0.979771852975166 Energy: 0.9007524830182938 Energy: 1.0000018317016348 Energy: 0.9644084209232169 Energy: 0.9797718529817903 Energy: 0.9007524830145086 Energy: 0.9694613163211997 Energy: 0.9675783663174214 Energy: 0.9717385200406707 Energy: 0.9031530891282135 Energy: 0.969461316309844 Energy: 0.9675783663131632 Energy: 0.9641244404962688 Energy: 0.9577603719475045 Energy: 0.9672706322626214 Energy: 0.9012677536011185 Energy: 0.9683120366370919 Energy: 0.9577603719588602 Energy: 0.9672706322550509 Energy: 0.9012677536001723 Energy: 0.9692619527868325 Energy: 0.9929348406449564 Energy: 1.0166574202941803 Energy: 0.99296056328171 Energy: 0.969261952782101 Energy: 0.9929348406421175 Energy: 1.016657420297019 Energy: 0.9579400220536108 Energy: 0.9685555901107363 Energy: 0.9007457213746577 Energy: 0.9670087110274804 Energy: 0.9579400220526645 Energy: 0.9685555901051015 Energy: 0.900745721373238 Energy: 0.9693878408314766 Energy: 0.9031441211640755 Energy: 0.971506350583094 Energy: 0.9675547088892663 Energy: 0.9693878408376275 Energy: 0.9031441211678606 Energy: 0.9715063505845133 Energy: 0.964379326288653 Energy: 1.0003643455666524 Energy: 0.9006941835213865 Energy: 0.9798221152435452 Energy: 0.9643793262895993 Energy: 1.0003643455623943 Energy: 0.9006941835280108 Energy: 1.019619701618053 Energy: 0.9672703199771187 Energy: 0.9664758768779148 Energy: 0.9674149298482991 Energy: 1.0196197016279893 Energy: 0.9672703199709677 Energy: 0.9664758768779148 Energy: 0.9644818735129962 Energy: 0.9709049652201712 Energy: 1.0422036012589444 Energy: 0.9786834012648317 Energy: 0.964481873527664 Energy: 0.970904965210708 Energy: 1.0422036012717197 Energy: 1.093077967237027 Energy: 0.967027636388627 Energy: 0.9468723457786707 Energy: 0.9670603814443888 Energy: 1.0930779672393927 Energy: 0.9670276363909928 Energy: 0.9468723457753587 Energy: 0.9714113944795479 Energy: 0.902622895019611 Energy: 1.028496532431541 Energy: 0.9026905840731799 Energy: 0.9714113944875916 Energy: 0.9026228950238693 Energy: 1.028496532428702 Energy: 1.093844468822317 Energy: 0.9670298377720631 Energy: 0.9545806255469971 Energy: 0.9674284355954784 Energy: 1.0938444688265756 Energy: 0.9670298377687512 Energy: 0.9545806255389533 Energy: 0.9642831390717433 Energy: 0.9786903129954662 Energy: 1.0419981544453911 Energy: 0.9708690371882288 Energy: 0.9642831390698507 Energy: 0.978690313001617 Energy: 1.0419981544505958 Energy: 1.019617834628992 Energy: 0.9672900631544921 Energy: 0.9013543240985851 Energy: 0.9674143301330861 Energy: 1.0196178346237872 Energy: 0.9672900631402973 Energy: 0.9013543240943697 Energy: 0.9644084209345726 Energy: 0.9797718529770586 Energy: 0.9007524830164012 Energy: 1.0000018317035275 Energy: 0.9644084209236901 Energy: 0.9797718529822633 Energy: 0.9007524830140354 Energy: 0.9694613163235655 Energy: 0.9675783663183678 Energy: 0.9809988264534699 Energy: 0.9031530891263209 Energy: 0.9694613163084246 Energy: 0.9675783663145827 Energy: 0.9809988264567818 Energy: 0.9577603719479776 Energy: 0.9672706322635678 Energy: 0.9012677536015918 Energy: 0.9683120366366188 Energy: 0.9577603719588602 Energy: 0.9672706322526852 Energy: 0.9012677536006454 Energy: 0.969261952785413 Energy: 0.992934840643537 Energy: 1.016657420293707 Energy: 0.9929605632859683 Energy: 0.9692619527816279 Energy: 0.9929348406411712 Energy: 1.016657420297019 Energy: 0.9579400220536108 Energy: 0.9685555901102632 Energy: 0.9007457213756039 Energy: 0.9670087110241683 Energy: 0.9579400220507719 Energy: 0.9685555901055746 Energy: 0.9007457213722918 minimum gb energy = 0.9006941835213865 eV minimum distance = 2.32229073708272 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.015698675725738 Energy: 1.029894910240006 Energy: 0.9642518615694352 Energy: 1.0302053276166117 Energy: 1.015698675721717 Energy: 1.0298949102423032 Energy: 0.9642518615723074 Energy: 1.023906850093137 Energy: 0.9596176337175535 Energy: 0.9535077057801963 Energy: 0.9594035238354518 Energy: 1.0239068500937114 Energy: 0.9596176337164046 Energy: 0.9535077057836427 Energy: 1.0066870773661398 Energy: 0.9450936551503629 Energy: 0.9664620912544415 Energy: 0.9600965789886065 Energy: 1.0066870773741812 Energy: 0.9450936551457678 Energy: 0.9664620912515696 Energy: 1.0218272221028268 Energy: 0.959138855527948 Energy: 0.9485742763934296 Energy: 0.9589436112517628 Energy: 1.0218272221045501 Energy: 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0.9912595336430733 Energy: 0.9741502827025573 Energy: 0.9220251163537747 Energy: 0.9581879716534705 Energy: 0.9912595336482427 Energy: 0.9741502827037061 Energy: 0.9220251163537747 Energy: 1.0240558191784932 Energy: 0.9649810201842756 Energy: 0.9765065592098671 Energy: 0.9637751525036176 Energy: 1.0240558191848115 Energy: 0.9649810201905938 Energy: 0.9765065592064208 Energy: 0.9114560949729654 Energy: 0.9215548337666133 Energy: 0.9228688893594227 Energy: 0.9219085995384764 Energy: 0.9114560949792836 Energy: 0.9215548337620183 Energy: 0.9228688893588483 Energy: 0.9930444637902279 Energy: 0.9655918695372628 Energy: 0.9922611591940147 Energy: 0.9578837288845263 Energy: 0.9930444637908024 Energy: 0.9655918695320933 Energy: 0.9922611591905685 Energy: 0.9112894158290626 Energy: 0.9214828821275879 Energy: 0.9699982953233369 Energy: 0.9225880259742684 Energy: 0.9112894158359552 Energy: 0.9214828821258648 Energy: 0.9699982953198906 Energy: 1.0168800387465127 Energy: 0.926530999924026 Energy: 0.9361095760366034 Energy: 0.9578473144844772 Energy: 1.0168800387522563 Energy: 0.926530999924026 Energy: 0.9608996058355153 Energy: 0.911542960708319 Energy: 1.0075273079506806 Energy: 0.9702610166664731 Energy: 0.9751911146687827 Energy: 0.9115429607106164 Energy: 1.0075273079518294 Energy: 0.9702610166607293 Energy: 1.0168769472383203 Energy: 0.9261647498342186 Energy: 1.0548713264507952 Energy: 0.9579544776059051 Energy: 1.0168769472360226 Energy: 0.9261647498324953 Energy: 1.054871326454816 Energy: 0.9115530667751566 Energy: 0.9753006831841651 Energy: 0.9718337545634277 Energy: 0.9586736540388932 Energy: 0.9115530667745821 Energy: 0.9753006831818676 Energy: 0.9718337545645764 Energy: 0.998922403083288 Energy: 0.9262429738230001 Energy: 1.0141344726401336 Energy: 0.9582644040037563 Energy: 0.998922403083288 Energy: 0.9262429738235746 Energy: 1.0141344726355384 Energy: 0.9117032158740056 Energy: 0.9944656164435864 Energy: 0.9680866635145787 Energy: 0.9944400094306918 Energy: 0.9117032158791749 Energy: 0.994465616443012 Energy: 0.9680866635203227 Energy: 0.9990434753414735 Energy: 0.958302602436755 Energy: 1.01417475386753 Energy: 0.9263205666332637 Energy: 0.999043475342048 Energy: 0.9583026024304367 Energy: 1.014174753863509 Energy: 0.9113571305261358 Energy: 0.958718853514881 Energy: 0.9717782208424742 Energy: 0.9754002036951612 Energy: 0.9113571305318534 Energy: 0.9587188535114345 Energy: 0.9717782208499152 Energy: 1.0167746068165846 Energy: 0.9578705643267117 Energy: 0.9988734989822113 Energy: 0.926155698995144 Energy: 1.0167746068183074 Energy: 0.9578705643272861 Energy: 0.9988734989822113 Energy: 0.9114241992641805 Energy: 0.9754610409638763 Energy: 0.9703464441299653 Energy: 1.007509857126544 Energy: 0.9114241992653294 Energy: 0.975461040963302 Energy: 0.9703464441288164 Energy: 1.0168354233460655 Energy: 0.9578586863307618 Energy: 0.9355119044790571 Energy: 0.9264564977550469 Energy: 1.0168354233495118 Energy: 0.9578586863278898 Energy: 0.9355119044721644 minimum gb energy = 0.9112894158290626 eV minimum distance = 2.33895211931083 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.9388010061795425 Energy: 0.9722141251181847 Energy: 0.9260969970969323 Energy: 0.9723662668562177 Energy: 0.9388010061987764 Energy: 0.9722141251021565 Energy: 0.9260969970969323 Energy: 1.0058876978446416 Energy: 0.9831316515012382 Energy: 0.8993667454628959 Energy: 0.9829475849847561 Energy: 1.0058876978414357 Energy: 0.9831316514916211 Energy: 0.8993667454788659 Energy: 0.9387441602568138 Energy: 0.9117781813282079 Energy: 0.9100363053619259 Energy: 0.9573376098206519 Energy: 0.9387441602407853 Energy: 0.9117781814243193 Energy: 0.9100363053811599 Energy: 0.9091890067674032 Energy: 0.9835937953460778 Energy: 0.9034941485750774 Energy: 0.9858169995888523 Energy: 0.9091890067706088 Energy: 0.9835937953396664 Energy: 0.9034941485718717 Energy: 0.9778917833405076 Energy: 0.909996625074343 Energy: 0.9079586639231116 Energy: 0.9086494520495284 Energy: 0.977891783337302 Energy: 0.90999662508396 Energy: 0.907958663929523 Energy: 0.9088347537339494 Energy: 0.9316772680305422 Energy: 0.9640127090043127 Energy: 0.9352577370205617 Energy: 0.9088347537211269 Energy: 0.9316772680369534 Energy: 0.9640127090107239 Energy: 0.9153154122306109 Energy: 0.9101186148401067 Energy: 0.9501705962901821 Energy: 0.9183413571981682 Energy: 0.9153154122274053 Energy: 0.9101186148465179 Energy: 0.9501705962741539 Energy: 0.9124379666186334 Energy: 0.9427617149577893 Energy: 0.969500790722731 Energy: 0.927866420209948 Energy: 0.9124379665993996 Energy: 0.9427617149481723 Energy: 0.9695007907291422 Energy: 0.9151070461655233 Energy: 0.9239519610995669 Energy: 0.9960137268131835 Energy: 0.905940192229585 Energy: 0.915107046159112 Energy: 0.9239519610771273 Energy: 0.9960137268228004 Energy: 0.9037739353733555 Energy: 0.942389413742505 Energy: 0.9226508855562777 Energy: 0.9390948945912616 Energy: 0.9037739353990007 Energy: 0.9423894137360935 Energy: 0.9226508855498664 Energy: 0.9151912696812711 Energy: 0.9268371201875235 Energy: 0.9764413278983726 Energy: 0.9050529735007062 Energy: 0.9151912696748599 Energy: 0.926837120174701 Energy: 0.9764413279079897 Energy: 0.9039261389498483 Energy: 0.9273158409132058 Energy: 0.9619755558683626 Energy: 0.9265795416610363 Energy: 0.903926138969082 Energy: 0.9273158409228229 Energy: 0.9619755558908023 Energy: 0.9159587702312929 Energy: 0.9421565391008729 Energy: 0.9765999820039081 Energy: 0.9260963718728046 Energy: 0.9159587702280872 Energy: 0.9421565391136955 Energy: 0.9765999820007024 Energy: 0.9382909368441309 Energy: 0.9616028032517255 Energy: 0.9679449136650398 Energy: 0.9468016995104478 Energy: 0.9382909368248971 Energy: 0.9616028032517255 Energy: 0.9679449136554227 Energy: 0.9160111637145169 Energy: 0.944684270029104 Energy: 1.011155138346936 Energy: 0.9611863018808695 Energy: 0.9160111636984886 Energy: 0.9446842700323098 Energy: 1.011155138356553 Energy: 0.937450687721872 Energy: 0.9275500050763776 Energy: 0.932845935414175 Energy: 0.9267448440801492 Energy: 0.9374506877282249 Energy: 0.927550005092406 Energy: 0.932845935423792 Energy: 0.9268359197470474 Energy: 0.9382661983764172 Energy: 1.0024322810587294 Energy: 0.9260169187750988 Energy: 0.926835919740636 Energy: 0.9382661983764172 Energy: 1.0024322810459068 Energy: 0.9039715613025718 Energy: 0.9154549902102886 Energy: 0.9328338665083344 Energy: 0.9024006715614623 Energy: 0.903971561292955 Energy: 0.9154549902166998 Energy: 0.9328338665051288 Energy: 0.9270080777776132 Energy: 0.9203348800951283 Energy: 0.9748707122848055 Energy: 0.9349975195837229 Energy: 0.9270080777712018 Energy: 0.920334880098334 Energy: 0.9748707122751885 Energy: 0.9036359651400078 Energy: 0.9058244169594236 Energy: 0.9436557542216497 Energy: 0.9255214535400019 Energy: 0.903635965136802 Energy: 0.9058244169690406 Energy: 0.9436557542344725 Energy: 0.9251641713446702 Energy: 0.9207833421494213 Energy: 0.9167313426932997 Energy: 0.9343639022816832 Energy: 0.9251641713254946 Energy: 0.9207833421494213 Energy: 0.9167313426772714 Energy: 0.9037844102018451 Energy: 0.9210059837060954 Energy: 0.9186796803237145 Energy: 0.931666176632324 Energy: 0.9037844101986394 Energy: 0.921005983718918 Energy: 0.9186796803428902 Energy: 0.9232834949636917 Energy: 0.9177813157371714 Energy: 0.9404545539684864 Energy: 0.9813400936873619 Energy: 0.9232834949636917 Energy: 0.9177813157308183 Energy: 0.9404545539652809 Energy: 0.9119773080548842 Energy: 0.9332362345224038 Energy: 0.9887881058424379 Energy: 0.9318098298718323 Energy: 0.9119773080516786 Energy: 0.9332362345191981 Energy: 0.9887881058392323 Energy: 0.9253908376751117 Energy: 0.9782337066033714 Energy: 0.9700732537888654 Energy: 1.0369447200018598 Energy: 0.9253908376815229 Energy: 0.97823370659696 Energy: 0.9700732537888654 Energy: 0.9275269888060914 Energy: 0.9757294560710217 Energy: 1.0706791049346325 Energy: 0.9266885747338416 Energy: 0.9275269888253251 Energy: 0.9757294560646105 Energy: 1.0706791049346325 Energy: 1.0412470163634373 Energy: 0.97662619648918 Energy: 0.9584622136472851 Energy: 1.0370614129869757 Energy: 1.0412470163538206 Energy: 0.9766261964828269 Energy: 0.9584622136440794 Energy: 0.9274693133585321 Energy: 1.0330468792176168 Energy: 0.9684331920411754 Energy: 0.9805121992375263 Energy: 0.9274693133521208 Energy: 1.033046879214411 Energy: 0.9684331920443812 Energy: 1.0412089145821066 Energy: 0.976683255192273 Energy: 0.9157940622726688 Energy: 1.0368398312112799 Energy: 1.041208914588518 Energy: 0.9766832552018899 Energy: 0.9157940622534348 Energy: 0.9230159486677878 Energy: 0.9785609885631661 Energy: 1.0535890401746633 Energy: 0.9355324796855612 Energy: 0.9230159486709935 Energy: 0.9785609885631661 Energy: 1.0535890401618406 Energy: 0.9247876696035043 Energy: 0.9767310621548514 Energy: 0.9536507110442396 Energy: 1.0377979702376297 Energy: 0.924787669577859 Energy: 0.9767310621580569 Energy: 0.9536507110282696 Energy: 0.9222682500760071 Energy: 0.9324260867742694 Energy: 0.9621873871547574 Energy: 0.9280552002197597 Energy: 0.9222682500792128 Energy: 0.9324260867646523 Energy: 0.9621873871515517 Energy: 0.9247287546462647 Energy: 0.9265148891071082 Energy: 0.9537465868449769 Energy: 0.9678333633577145 Energy: 0.924728754662293 Energy: 0.9265148891071082 Energy: 0.9537465868706222 Energy: 0.936372879057536 Energy: 0.9322168703152344 Energy: 0.9758071869062547 Energy: 0.9110340739598038 Energy: 0.9363728790447132 Energy: 0.9322168703120287 Energy: 0.9758071868998431 Energy: 0.9285382435802689 Energy: 0.9250428761971107 Energy: 0.9864405473352866 Energy: 0.9683280142270073 Energy: 0.9285382435834745 Energy: 0.9250428761939049 Energy: 0.9864405473288753 Energy: 0.936287591319693 Energy: 0.9268319999889055 Energy: 1.0123100307273918 Energy: 0.9256263035579301 Energy: 0.9362875913004591 Energy: 0.9268319999856999 Energy: 1.0123100307018045 Energy: 0.9283565300317691 Energy: 0.9149776676965033 Energy: 0.9565092613692096 Energy: 0.9807315885435567 Energy: 0.928356530051003 Energy: 0.9149776677061203 Energy: 0.9565092613499756 Energy: 0.9470783239931914 Energy: 0.9239784700585681 Energy: 0.9858841811464318 Energy: 0.9255169111465625 Energy: 0.9470783240124252 Energy: 0.923978470052215 Energy: 0.9858841811400206 Energy: 0.9283406296348466 Energy: 0.9672583590169075 Energy: 0.9706987761866491 Energy: 0.9705769967401211 Energy: 0.9283406296380523 Energy: 0.967258359004085 Energy: 0.9706987761994716 Energy: 0.9452688393563059 Energy: 0.9633423649521525 Energy: 0.9511475546935868 Energy: 0.937096135818218 Energy: 0.9452688393787454 Energy: 0.9633423649649752 Energy: 0.9511475546776169 Energy: 0.9801503720496668 Energy: 0.9666711222470854 Energy: 0.9501112475411368 Energy: 0.9706920735962898 Energy: 0.9801503720336384 Energy: 0.9666711222246458 Energy: 0.9501112475347254 Energy: 0.945403361885629 Energy: 0.9465449210591798 Energy: 0.9709632851432193 Energy: 0.9578391107294997 Energy: 0.9454033619016573 Energy: 0.946544921075208 Energy: 0.9709632851623949 Energy: 0.9293453234029077 Energy: 0.9664849179107998 Energy: 0.9358247153378175 Energy: 0.9704014146399054 Energy: 0.9293453234221416 Energy: 0.9664849178948297 Energy: 0.9358247153570514 Energy: 0.9461272550985141 Energy: 0.9367559361126212 Energy: 0.9788603309607078 Energy: 0.9242249689602237 Energy: 0.9461272551017198 Energy: 0.9367559361094155 Energy: 0.9788603309735304 Energy: 0.9035709651446423 Energy: 0.9650673856017632 Energy: 0.9343373108264456 Energy: 0.9894813557316989 Energy: 0.9035709651446423 Energy: 0.9650673856306142 Energy: 0.9343373108072115 minimum gb energy = 0.8993667454628959 eV minimum distance = 2.31790855141543 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.8950091180471315 Energy: 0.7967375048714448 Energy: 0.9152961678299343 Energy: 0.7967375048728903 Energy: 0.8950091180384584 Energy: 0.7967375048736131 Energy: 0.9152961678386072 Energy: 0.8950091180449633 Energy: 0.7967375048699993 Energy: 0.8547327348286791 Energy: 0.7967375048685537 Energy: 0.8950091180507453 Energy: 0.7967375048714448 Energy: 0.8547327348250652 Energy: 0.8950091180449633 Energy: 0.7967375048750585 Energy: 0.9369768689518704 Energy: 0.7967375048728903 Energy: 0.8950091180500225 Energy: 0.7967375048714448 Energy: 0.936976868952593 Energy: 0.8950091180471315 Energy: 0.796737504867831 Energy: 0.9289943735317943 Energy: 0.7967375048743357 Energy: 0.895009118037013 Energy: 0.7967375048743357 Energy: 0.9289943735332398 Energy: 0.8950091180442404 Energy: 0.7967375048736131 Energy: 0.9676394095408767 Energy: 0.7967375048699993 Energy: 0.8950091180492997 Energy: 0.7967375048721675 Energy: 0.9676394095415994 Energy: 0.8950091180464088 Energy: 0.7967375048743357 Energy: 0.9133297838269836 Energy: 0.796737504870722 Energy: 0.8950091180507453 Energy: 0.7967375048671084 Energy: 0.9133297838269836 Energy: 0.8950091180456861 Energy: 0.7967375048699993 Energy: 0.9131289562935195 Energy: 0.7967375048728903 Energy: 0.895009118037013 Energy: 0.7967375048736131 Energy: 0.9131289562949649 Energy: 0.8950091180442404 Energy: 0.7967375048699993 Energy: 0.8987413907372195 Energy: 0.7967375048663855 Energy: 0.8950091180500225 Energy: 0.7967375048714448 Energy: 0.8987413907336057 Energy: 0.8950091180449633 Energy: 0.7967375048728903 Energy: 0.8973852603668097 Energy: 0.7967375048721675 Energy: 0.8950091180492997 Energy: 0.7967375048699993 Energy: 0.8973852603689777 Energy: 0.895009118048577 Energy: 0.796737504867831 Energy: 0.9131289562971332 Energy: 0.7967375048736131 Energy: 0.895009118037013 Energy: 0.7967375048743357 Energy: 0.9282025240497298 Energy: 0.8950091180449633 Energy: 0.7967375048699993 Energy: 0.8973852603675324 Energy: 0.7967375048692764 Energy: 0.895009118048577 Energy: 0.7967375048728903 Energy: 0.8973852603675324 Energy: 0.8950091180449633 Energy: 0.7967375048721675 Energy: 0.8547327348243426 Energy: 0.7967375048714448 Energy: 0.8950091180492997 Energy: 0.7967375048671084 Energy: 0.8547327348301246 Energy: 0.8950091180492997 Energy: 0.7967375048699993 Energy: 0.8547327348265107 Energy: 0.7967375048721675 Energy: 0.895009118037013 Energy: 0.7967375048728903 Energy: 0.854732734822897 Energy: 0.8950091180456861 Energy: 0.7967375048692764 Energy: 0.8547327348207286 Energy: 0.7967375048656627 Energy: 0.8950091180507453 Energy: 0.7967375048699993 Energy: 0.8547327348214515 Energy: 0.8950091180449633 Energy: 0.7967375048721675 Energy: 0.8547327348243426 Energy: 0.7967375048721675 Energy: 0.8950091180507453 Energy: 0.7967375048699993 Energy: 0.8547327348294018 Energy: 0.895009118048577 Energy: 0.796737504867831 Energy: 0.8547327348250652 Energy: 0.7967375048736131 Energy: 0.895009118037013 Energy: 0.7967375048714448 Energy: 0.8547327348200059 Energy: 0.8950091180435177 Energy: 0.7967375048721675 Energy: 0.8547327348221743 Energy: 0.7967375048685537 Energy: 0.8950091180500225 Energy: 0.7967375048728903 Energy: 0.8547327348207286 Energy: 0.8950091180449633 Energy: 0.7967375048736131 Energy: 0.8547327348236197 Energy: 0.7967375048721675 Energy: 0.8950091180500225 Energy: 0.7967375048663855 Energy: 0.8547327348308472 Energy: 0.8950091180492997 Energy: 0.796737504870722 Energy: 0.8547327348265107 Energy: 0.7967375048765041 Energy: 0.895009118037013 Energy: 0.7967375048736131 Energy: 0.8547327348265107 Energy: 0.8950091180449633 Energy: 0.7967375048699993 Energy: 0.854732734822897 Energy: 0.7967375048663855 Energy: 0.8950091180500225 Energy: 0.7967375048714448 Energy: 0.8547327348207286 minimum gb energy = 0.7967375048656627 eV minimum distance = 2.41858384310143 Angstroms sigma value = 23