Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005 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=3.615000084042549 cohesive_energy=3.540278176783594 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: -2.00908733476168e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.016767768602809815 Energy: 0.41913142543876997 Energy: 0.23577591773742942 Energy: 0.419160198588593 Energy: 0.016767768602809815 Energy: 0.4191314254367784 Energy: 0.23577591773742942 Energy: 0.4358474894515233 Energy: 0.01722620953801498 Energy: 0.22658087301484425 Energy: 0.017103125499456417 Energy: 0.43584748945103957 Energy: 0.0172262095372468 Energy: 0.22658087301532795 Energy: 0.016767768602809815 Energy: 0.41913142543902604 Energy: 0.23577591773717335 Energy: 0.419160198588593 Energy: 0.016767768603037424 Energy: 0.4191314254367784 Energy: 0.23577591773768544 Energy: 0.43584748945126717 Energy: 0.01722620953801498 Energy: 0.22658087301510033 Energy: 0.017103125499712477 Energy: 0.43584748945103957 Energy: 0.0172262095372468 Energy: 0.22658087301532795 Energy: 0.016767768602809815 Energy: 0.41913142543928206 Energy: 0.23577591773717335 Energy: 0.419160198588593 Energy: 0.016767768602809815 Energy: 0.4191314254367784 Energy: 0.23577591773768544 Energy: 0.43584748945126717 Energy: 0.01722620953801498 Energy: 0.22658087301484425 Energy: 0.017103125499968536 Energy: 0.43584748945103957 Energy: 0.01722620953750286 Energy: 0.22658087301532795 minimum gb energy = 0.016767768602809815 eV minimum distance = 2.53343652751731 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.006587395762973 Energy: 0.9562810838278245 Energy: 0.9892849675779692 Energy: 0.9554311192092592 Energy: 1.006587395775208 Energy: 0.9562810838339421 Energy: 0.9892849675718517 Energy: 0.9465551274597162 Energy: 0.9498055830835438 Energy: 0.9446802681443973 Energy: 0.9627302103204821 Energy: 0.9465551274535986 Energy: 0.9498055830774264 Energy: 0.9446802681443973 Energy: 0.9369931550274285 Energy: 0.9375669418870077 Energy: 0.9526343341908401 Energy: 0.9673326508678749 Energy: 0.9369931550366046 Energy: 0.9375669418839491 Energy: 0.9526343342000164 Energy: 1.02256645029411 Energy: 0.9522584880731694 Energy: 0.9281601631126727 Energy: 0.9602250281649397 Energy: 1.0225664502849339 Energy: 0.9522584880670518 Energy: 0.9281601631065551 Energy: 0.9467588675667026 Energy: 0.9321490406562698 Energy: 1.0022938121878062 Energy: 0.9326706084720378 Energy: 0.9467588675667026 Energy: 0.9321490406593286 Energy: 1.0022938121878062 Energy: 0.9834649583800759 Energy: 0.9541679045917384 Energy: 0.9746211644507075 Energy: 0.9472931548603107 Energy: 0.9834649583831345 Energy: 0.9541679045886796 Energy: 0.9746211644690044 Energy: 0.9333415516033933 Energy: 0.9529903583005627 Energy: 0.9987403013314243 Energy: 0.951602605929152 Energy: 0.9333415515850407 Energy: 0.9529903582975039 Energy: 0.9987403013436593 Energy: 0.9337113113510612 Energy: 0.9413215290097385 Energy: 0.9508852070184277 Energy: 0.9406613465712896 Energy: 0.9337113113418849 Energy: 0.9413215290188591 Energy: 0.9508852070092515 Energy: 0.9221511547102287 Energy: 0.9606981479370104 Energy: 0.9442485804061588 Energy: 0.9456753733755339 Energy: 0.9221511547010525 Energy: 0.9606981479247755 Energy: 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0.9952974494378062 Energy: 0.9515125413174521 Energy: 0.9667598620380551 Energy: 0.977065723614071 Energy: 0.9395334648085977 Energy: 0.9460590776545099 Energy: 0.95250057306068 Energy: 0.9770657236171297 Energy: 0.9395334648024802 Energy: 0.946059077666745 Energy: 1.0187704991116207 Energy: 0.9539665619314044 Energy: 0.9559078900611667 Energy: 0.9815961944672599 Energy: 1.0187704991116207 Energy: 0.953966561913052 Energy: 0.9559078900611667 Energy: 0.9945815596545213 Energy: 0.9424468827962965 Energy: 0.9915812804914601 Energy: 0.9450674677962368 Energy: 0.9945815596667564 Energy: 0.9424468827932379 Energy: 0.9915812804945188 Energy: 0.9222779867777688 Energy: 0.9585055190523672 Energy: 0.9800820368989218 Energy: 0.9569766841467787 Energy: 0.9222779867808275 Energy: 0.9585055190401321 Energy: 0.9800820369050393 Energy: 0.9460398090862366 Energy: 0.991692894680339 Energy: 0.9998856281408872 Energy: 0.9856668116702877 Energy: 0.9460398090679397 Energy: 0.991692894668104 Energy: 0.9998856281286521 Energy: 0.9222764810684588 Energy: 0.9488054524935725 Energy: 0.97161588287447 Energy: 0.9508626499498742 Energy: 0.9222764810806938 Energy: 0.9488054524935725 Energy: 0.9716158828775288 minimum gb energy = 0.9221511547010525 eV minimum distance = 2.29062055993587 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.9538997110845263 Energy: 0.9736844204933928 Energy: 0.9998427028737934 Energy: 0.9736488448451602 Energy: 0.9538997110744261 Energy: 0.9736844204986322 Energy: 0.9998427028734146 Energy: 0.9391409404966365 Energy: 0.9557619584334001 Energy: 0.9849065005765574 Energy: 0.9585261447071708 Energy: 0.939140940506295 Energy: 0.9557619584261405 Energy: 0.9849065005841958 Energy: 0.929021626527649 Energy: 0.9622788400116017 Energy: 0.986437439200794 Energy: 0.9660854462248786 Energy: 0.9290216265244926 Energy: 0.9622788400039634 Energy: 0.986437439217144 Energy: 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0.9415247840208475 Energy: 0.9973913611075585 Energy: 0.9514001259704988 Energy: 0.9467512527736294 Energy: 0.9973949152435883 Energy: 0.9656228311271464 Energy: 0.9514001259771272 Energy: 0.9467512527784901 Energy: 0.997394915249459 Energy: 0.951636661461805 Energy: 0.9528542744963335 Energy: 1.0213690022572686 Energy: 0.9621121918542543 Energy: 0.9516366614534721 Energy: 0.9528542744928616 Energy: 1.021369002257584 Energy: 0.9293911904992158 Energy: 0.9661009727653556 Energy: 1.024016164419591 Energy: 0.9625997932722642 Energy: 0.9293911904985213 Energy: 0.9661009727782335 Energy: 1.0240161644147303 Energy: 0.9393691448105851 Energy: 0.9584198995836776 Energy: 1.0224124795400549 Energy: 0.9558193827732555 Energy: 0.9393691448182234 Energy: 0.9584198995819732 Energy: 1.0224124795331109 Energy: 0.9538997110841476 Energy: 0.9736844204926982 Energy: 0.9620242235644241 Energy: 0.9736488448454759 Energy: 0.9538997110748046 Energy: 0.9736844204982534 Energy: 0.962024223579322 Energy: 0.9391409404966365 Energy: 0.955761958433779 Energy: 0.984906500576873 Energy: 0.9585261447075497 Energy: 0.939140940506295 Energy: 0.9557619584268349 Energy: 0.9849065005848902 minimum gb energy = 0.9290216265237982 eV minimum distance = 2.26867599446433 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0353565504366316 Energy: 0.9735250012066237 Energy: 1.0534768155291039 Energy: 0.9605759238537129 Energy: 1.0353565504378346 Energy: 0.9735250012114346 Energy: 1.0534768155287033 Energy: 1.0216474022233484 Energy: 0.9762660808009075 Energy: 0.9876814584539721 Energy: 1.006203450970112 Energy: 1.0216474022229476 Energy: 0.9762660808029121 Energy: 0.9876814584539721 Energy: 0.9588455976137081 Energy: 0.9591807528921433 Energy: 1.0506495889205907 Energy: 0.9713304764539265 Energy: 0.9588455976113027 Energy: 0.9591807528957152 Energy: 1.0506495889209913 Energy: 0.9596917202228948 Energy: 0.9644762289085719 Energy: 1.043420911872663 Energy: 0.9739828482062189 Energy: 0.959691720226503 Energy: 0.96447622891218 Energy: 1.0434209118734648 Energy: 0.9771791512509576 Energy: 0.965573520308162 Energy: 1.0358295714635468 Energy: 0.9767088974351541 Energy: 0.9771791512517594 Energy: 0.9655735203105675 Energy: 1.0358295714639476 Energy: 0.9699417015509898 Energy: 0.9458948803691809 Energy: 0.9877454818519209 Energy: 0.9692054381740254 Energy: 0.9699417015477825 Energy: 0.9458948803691809 Energy: 0.9877454818515199 Energy: 0.9731645841759509 Energy: 0.9657126782007494 Energy: 0.9855246969771028 Energy: 0.9838146379554807 Energy: 0.9731645841763515 Energy: 0.9657126782019522 Energy: 0.9855246969767018 Energy: 0.9600177151410441 Energy: 0.967855912972647 Energy: 0.9893597812860714 Energy: 0.9659188934485932 Energy: 0.9600177151402423 Energy: 0.9678559129722459 Energy: 0.9893597812856704 Energy: 0.9585062278214058 Energy: 0.9696326268640088 Energy: 1.0687297651652667 Energy: 0.9632891082869773 Energy: 0.9585062278202031 Energy: 0.9696326268624053 Energy: 1.0687297651656678 Energy: 0.9631481508749715 Energy: 0.9832520732262154 Energy: 1.0464284578165324 Energy: 0.9657476945392833 Energy: 0.9631481508757734 Energy: 0.9832520732246118 Energy: 1.0464284578157308 Energy: 1.0125693061120087 Energy: 0.9986979745308421 Energy: 1.0211835361776032 Energy: 0.9615157622839303 Energy: 1.0125693061100038 Energy: 0.9986979745300403 Energy: 1.021183536178405 Energy: 1.003372083419698 Energy: 0.9921499651427076 Energy: 1.010041237481681 Energy: 0.9950635967973761 Energy: 1.0033720834168915 Energy: 0.9921499651415048 Energy: 1.0100412374804781 Energy: 0.9957024021269996 Energy: 0.9705072020239096 Energy: 1.0218514615455747 Energy: 0.9824810796169792 Energy: 0.9957024021274004 Energy: 0.9705072020243104 Energy: 1.0218514615483811 Energy: 0.9672872923733804 Energy: 0.9974947287977807 Energy: 1.0071717924157244 Energy: 0.9748055667814531 Energy: 0.9672872923761868 Energy: 0.9974947287973798 Energy: 1.0071717924161254 Energy: 0.9986901916312895 Energy: 0.9852375141589217 Energy: 1.002746698055223 Energy: 0.9747799600467271 Energy: 0.9986901916332939 Energy: 0.9852375141573181 Energy: 1.0027466980548219 Energy: 0.993416356326146 Energy: 0.9951019150805667 Energy: 1.010775747261605 Energy: 0.9865086204142397 Energy: 0.9934163563241413 Energy: 0.9951019150789631 Energy: 1.0107757472612042 Energy: 1.0273491612359598 Energy: 0.9538864297504673 Energy: 0.995875249254806 Energy: 0.985643926093345 Energy: 1.0273491612331536 Energy: 0.9538864297500665 Energy: 0.995875249255207 Energy: 0.9618993652629702 Energy: 0.9658237200263852 Energy: 0.9982732747407236 Energy: 0.9963806987180689 Energy: 0.9618993652637721 Energy: 0.9658237200247815 Energy: 0.9982732747427281 Energy: 0.9723758020786131 Energy: 0.9632182936122203 Energy: 1.0273206913506996 Energy: 0.9739597897350574 Energy: 0.9723758020802166 Energy: 0.9632182936110177 Energy: 1.0273206913498978 Energy: 0.9604563670528996 Energy: 0.9651636660007984 Energy: 0.9854811650622775 Energy: 0.9677077429042934 Energy: 0.9604563670520977 Energy: 0.965163666002803 Energy: 0.9854811650610747 Energy: 0.9586676348498969 Energy: 0.9861324718885204 Energy: 0.9926182625497414 Energy: 0.9657556513612467 Energy: 0.9586676348523023 Energy: 0.9861324718913268 Energy: 0.9926182625509441 Energy: 0.9602699628312072 Energy: 0.9450321623904625 Energy: 0.9923791065000076 Energy: 0.9604815276042481 Energy: 0.9602699628292027 Energy: 0.9450321623936698 Energy: 0.9923791064959984 Energy: 1.0160909335815846 Energy: 0.9766592979020967 Energy: 0.9922346325832023 Energy: 0.9656228448387403 Energy: 1.0160909335807828 Energy: 0.976659297906106 Energy: 0.9922346325856078 Energy: 0.9780492593529385 Energy: 0.9502136425196526 Energy: 1.0269031382724325 Energy: 0.9800870787184185 Energy: 0.9780492593541412 Energy: 0.9502136425160443 Energy: 1.0269031382724325 Energy: 0.9736233701443721 Energy: 0.9713970299334008 Energy: 1.011523891627249 Energy: 0.9475891428653769 Energy: 0.9736233701459757 Energy: 0.9713970299305945 Energy: 1.011523891622839 Energy: 0.9956099463120905 Energy: 0.9748722827656413 Energy: 0.9724899894906178 Energy: 0.9792610189452923 Energy: 0.9956099463100859 Energy: 0.9748722827652403 Energy: 0.9724899894906178 Energy: 1.0090948492204654 Energy: 0.9606771266729762 Energy: 1.0320320750290288 Energy: 0.9605704297805646 Energy: 1.0090948492196636 Energy: 0.9606771266749808 Energy: 1.0320320750266232 Energy: 1.0141624215855398 Energy: 0.9760143891371175 Energy: 1.0132649169764358 Energy: 0.9855477443581855 Energy: 1.014162421585139 Energy: 0.9760143891339101 Energy: 1.013264916975634 Energy: 0.9766690737236722 Energy: 0.9688003009272862 Energy: 1.046681829055718 Energy: 0.9811645703755764 Energy: 0.9766690737216677 Energy: 0.9688003009260834 Energy: 1.0466818290561188 Energy: 0.9698455287534095 Energy: 0.9579807905449149 Energy: 1.0500636031922856 Energy: 0.9498948759330204 Energy: 0.9698455287522068 Energy: 0.9579807905465186 Energy: 1.0500636031906823 Energy: 0.9969869751386947 Energy: 0.9654189324307604 Energy: 1.0184707352350941 Energy: 0.9848711406061191 Energy: 0.9969869751378928 Energy: 0.965418932432364 Energy: 1.0184707352342923 Energy: 0.9603656063145594 Energy: 0.9793771976590138 Energy: 0.9952582960920533 Energy: 0.9451887494766691 Energy: 0.9603656063101493 Energy: 0.9793771976614192 Energy: 0.9952582960924541 Energy: 0.958568977057522 Energy: 0.963189083918389 Energy: 0.994552871563626 Energy: 0.9824409971352731 Energy: 0.958568977057522 Energy: 0.9631890839167853 Energy: 0.9945528715620223 Energy: 0.9597227833882545 Energy: 0.9676660812048526 Energy: 1.0002705133888619 Energy: 0.977958335646466 Energy: 0.9597227833894572 Energy: 0.9676660812052535 Energy: 1.0002705133872583 Energy: 0.97709450262095 Energy: 0.9739354039890273 Energy: 1.067676851574243 Energy: 0.9723782712636048 Energy: 0.97709450262095 Energy: 0.9739354039886264 Energy: 1.067676851573441 Energy: 0.9622892978294932 Energy: 0.9817159329288458 Energy: 1.042804294334517 Energy: 0.9657698924002619 Energy: 0.9622892978286915 Energy: 0.9817159329296476 Energy: 1.0428042943337152 minimum gb energy = 0.9450321623904625 eV minimum distance = 2.30038103923397 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.9575616375657611 Energy: 0.9891931202790185 Energy: 1.0393583120903218 Energy: 0.9889526851569769 Energy: 0.9575616375577176 Energy: 0.9891931202705015 Energy: 1.0393583120865366 Energy: 0.9461347761539136 Energy: 0.9729395074213913 Energy: 0.9095661940373603 Energy: 0.9676519888173446 Energy: 0.946134776148709 Energy: 0.9729395074289188 Energy: 0.909566194036414 Energy: 0.9577072991859473 Energy: 0.8962979701488419 Energy: 0.9743575942705087 Energy: 0.960126496576369 Energy: 0.9577072991906789 Energy: 0.8962979701417446 Energy: 0.9743575942686161 Energy: 0.9541752516131479 Energy: 0.9984944919889852 Energy: 0.9097177283523096 Energy: 0.9858982320803932 Energy: 0.9541752516088896 Energy: 0.9984944919861464 Energy: 0.9097177283693001 Energy: 1.0181127121926428 Energy: 0.9601949227109802 Energy: 0.9585478349399842 Energy: 0.960140982651986 Energy: 1.0181127121940625 Energy: 0.9601949227086144 Energy: 0.9585478349409305 Energy: 0.9541028068916447 Energy: 0.9665245511639484 Energy: 1.0363901115559069 Energy: 0.978334481008972 Energy: 0.9541028068897521 Energy: 0.9665245511606362 Energy: 1.0363901115601657 Energy: 1.093237317646987 Energy: 0.9606364811775169 Energy: 0.9917459654011811 Energy: 0.9597972688063362 Energy: 1.0932373176455674 Energy: 0.9606364811798825 Energy: 0.9917459654063858 Energy: 0.9623553074184314 Energy: 0.9067372974165232 Energy: 1.068257017124321 Energy: 0.9068273181832762 Energy: 0.9623553074212704 Energy: 0.9067372974165232 Energy: 1.0682570171262138 Energy: 1.0932303439845517 Energy: 0.959652314891566 Energy: 0.9934522529791546 Energy: 0.9606688709570478 Energy: 1.0932303439864441 Energy: 0.9596523148962974 Energy: 0.9934522529777352 Energy: 0.9542310524182407 Energy: 0.9782955640737593 Energy: 1.0361814536823903 Energy: 0.9664519099312616 Energy: 0.9542310524187139 Energy: 0.9782955640756521 Energy: 1.036181453687122 Energy: 1.0181598133438399 Energy: 0.9600904546174197 Energy: 0.9786908594972941 Energy: 0.9597965405042068 Energy: 1.01815981333485 Energy: 0.9600904546193123 Energy: 0.9786908594939819 Energy: 0.9542101554613296 Energy: 0.9857301296312956 Energy: 0.9096466246394389 Energy: 0.9985777687616859 Energy: 0.9542101554547053 Energy: 0.9857301296426513 Energy: 0.9096466246432241 Energy: 0.9577028181796023 Energy: 0.9601890437146604 Energy: 0.9891084549138351 Energy: 0.896079843647462 Energy: 0.9577028181800755 Energy: 0.9601890437085095 Energy: 0.9891084549166742 Energy: 0.9462735904024733 Energy: 0.9984867400337203 Energy: 0.909530487559565 Energy: 0.9730230487941754 Energy: 0.9462735904067315 Energy: 0.9984867400389248 Energy: 0.9095304875699745 Energy: 0.957561637568127 Energy: 0.9891931202785453 Energy: 1.0295089040687984 Energy: 0.9889526851546111 Energy: 0.9575616375586637 Energy: 0.9891931202714479 Energy: 1.0295089040683252 Energy: 0.9461347761529673 Energy: 0.9729395074209182 Energy: 0.9095661940378335 Energy: 0.9676519888178178 Energy: 0.946134776148709 Energy: 0.9729395074275422 Energy: 0.909566194036414 Energy: 0.9577072991864205 Energy: 0.8962979701493151 Energy: 0.9743575942709818 Energy: 0.960126496576369 Energy: 0.9577072991902058 Energy: 0.8962979701422178 Energy: 0.9743575942705087 Energy: 0.9541752516117284 Energy: 0.9984944919880389 Energy: 0.9097177283546752 Energy: 0.9858982320803932 Energy: 0.9541752516065238 Energy: 0.9984944919842538 Energy: 0.9097177283702464 Energy: 1.0181127121770719 Energy: 0.9601949227123996 Energy: 0.9585478349399842 Energy: 0.9601409826534054 Energy: 1.0181127121756524 Energy: 0.9601949227095606 Energy: 0.9585478349409305 Energy: 0.9541028068925911 Energy: 0.9665245511634752 Energy: 1.03639011155638 Energy: 0.9783344810094451 Energy: 0.954102806889279 Energy: 0.966524551160163 Energy: 1.0363901115625311 Energy: 1.0932373176507721 Energy: 0.9606364811789363 Energy: 0.9458524501515457 Energy: 0.9597972688053897 Energy: 1.0932373176479333 Energy: 0.9606364811813021 Energy: 0.9458524501505994 Energy: 0.9623553074193777 Energy: 0.9067372974141574 Energy: 1.0682570171233747 Energy: 0.9068273181823299 Energy: 0.9623553074212704 Energy: 0.9067372974141574 Energy: 1.0682570171257406 Energy: 1.0932303439850248 Energy: 0.9596523148896734 Energy: 0.9580406289004227 Energy: 0.960668870955155 Energy: 1.0932303439859712 Energy: 0.9596523148944048 Energy: 0.9580406289032617 Energy: 0.9542310524172944 Energy: 0.9782955640737593 Energy: 1.0361814536833367 Energy: 0.9664519099331542 Energy: 0.9542310524187139 Energy: 0.9782955640770715 Energy: 1.0361814536866487 Energy: 1.0181598133376888 Energy: 0.9600904546174197 Energy: 0.9112425117208289 Energy: 0.95979654049569 Energy: 1.0181598133353231 Energy: 0.9600904546197855 Energy: 0.9112425117156242 Energy: 0.9542101554613296 Energy: 0.9857301296298762 Energy: 0.9096466246380194 Energy: 0.9985777687621591 Energy: 0.9542101554532859 Energy: 0.9857301296417049 Energy: 0.909646624642278 Energy: 0.9577028181781829 Energy: 0.9601890437132411 Energy: 0.9853761887380407 Energy: 0.8960798436455694 Energy: 0.9577028181786561 Energy: 0.9601890437080364 Energy: 0.9853761887394601 Energy: 0.9462735904043658 Energy: 0.998486740030408 Energy: 0.9095304875590919 Energy: 0.9730230487922829 Energy: 0.9462735904067315 Energy: 0.9984867400398711 Energy: 0.9095304875709208 Energy: 0.9575616375662342 Energy: 0.9891931202794916 Energy: 1.01986753459417 Energy: 0.9889526851569769 Energy: 0.9575616375581908 Energy: 0.9891931202705015 Energy: 1.0198675345884918 Energy: 0.9461347761534404 Energy: 0.9729395074228107 Energy: 0.9095661940378335 Energy: 0.967651988822076 Energy: 0.946134776148709 Energy: 0.9729395074280154 Energy: 0.9095661940368871 minimum gb energy = 0.8960798436455694 eV minimum distance = 2.33208580469155 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.005339973630228 Energy: 1.0256588269508033 Energy: 1.0659828134172875 Energy: 1.0257397110583608 Energy: 1.0053399736296533 Energy: 1.02565882694908 Energy: 1.0659828134132667 Energy: 1.013374854975268 Energy: 0.9589438288807299 Energy: 0.9008830990029232 Energy: 0.958257254641737 Energy: 1.0133748549758421 Energy: 0.9589438288813041 Energy: 0.9008830989994769 Energy: 0.9973197921272975 Energy: 0.9418175423642178 Energy: 0.981684851023374 Energy: 0.9532030682891006 Energy: 0.9973197921278719 Energy: 0.9418175423636433 Energy: 0.9816848510262459 Energy: 1.0118011309700852 Energy: 0.9575969811207096 Energy: 0.9374518989042886 Energy: 0.9588070172321972 Energy: 1.0118011309718085 Energy: 0.957596981118412 Energy: 0.9374518989037144 Energy: 0.960835006313624 Energy: 0.9240727856636967 Energy: 0.9888866521454551 Energy: 0.9254936727686541 Energy: 0.9608350063113265 Energy: 0.9240727856654197 Energy: 0.9888866521443063 Energy: 1.0118403384460046 Energy: 0.9889284194610816 Energy: 0.9888972428762363 Energy: 0.9581296565164347 Energy: 1.0118403384442816 Energy: 0.9889284194628046 Energy: 0.9888972428791082 Energy: 0.9971144988402717 Energy: 0.9244784385847783 Energy: 0.9887795530918875 Energy: 0.9743630171748779 Energy: 0.9971144988391227 Energy: 0.9244784385836297 Energy: 0.9887795530901643 Energy: 1.0050392209777272 Energy: 0.9549963019455086 Energy: 0.9872729520180481 Energy: 0.9587027671799526 Energy: 1.0050392209794505 Energy: 0.954996301946083 Energy: 0.9872729520197713 Energy: 0.9971258570751355 Energy: 0.9584075732775064 Energy: 0.9737766393096249 Energy: 0.9680952012293127 Energy: 0.9971258570739867 Energy: 0.9584075732780808 Energy: 0.9737766393130713 Energy: 0.9979141294953291 Energy: 0.9526920809284546 Energy: 0.9279869889009764 Energy: 0.9588167585630386 Energy: 0.997914129496478 Energy: 0.9526920809273058 Energy: 0.9279869888958069 Energy: 1.0106952927057897 Energy: 0.9683985223985337 Energy: 0.9748885516193594 Energy: 0.9659930538940196 Energy: 1.0106952927052155 Energy: 0.9683985223996824 Energy: 0.9748885516222312 Energy: 0.9052416297341215 Energy: 0.9222790107366045 Energy: 0.922759140983755 Energy: 0.9227770492967287 Energy: 0.9052416297307013 Energy: 0.9222790107383276 Energy: 0.9227591409854781 Energy: 1.0143354486237726 Energy: 0.9658319903922832 Energy: 0.9841908122928792 Energy: 0.9586589769523584 Energy: 1.014335448627219 Energy: 0.9658319903940064 Energy: 0.9841908122888585 Energy: 0.9051787174897129 Energy: 0.9214174235584575 Energy: 0.9876520221790572 Energy: 0.9230786192100369 Energy: 0.9051787174902873 Energy: 0.9214174235555856 Energy: 0.9876520221773342 Energy: 1.018141795943046 Energy: 0.9215835611857034 Energy: 0.9611299561126613 Energy: 0.9588442466425118 Energy: 1.0181417959424717 Energy: 0.9215835611885755 Energy: 0.9611299561115125 Energy: 0.9054677579817461 Energy: 1.005698799415847 Energy: 0.9698274017361855 Energy: 0.9737086760845541 Energy: 0.9054677579800229 Energy: 1.0056987994181446 Energy: 0.9698274017356111 Energy: 1.0183292666603603 Energy: 0.9195799372493421 Energy: 1.0063153488537557 Energy: 0.9586583391885639 Energy: 1.0183292666574884 Energy: 0.9195799372550859 Energy: 1.0063153488537557 Energy: 0.9052163227628801 Energy: 0.9637209795423262 Energy: 0.969893663549271 Energy: 1.005691619142127 Energy: 0.9052163227623057 Energy: 0.963720979543475 Energy: 0.9698936635521429 Energy: 0.9897368193772302 Energy: 0.9195396321873526 Energy: 1.0353311585482368 Energy: 0.9615941137942475 Energy: 0.9897368193720607 Energy: 0.919539632183906 Energy: 1.0353311585465135 Energy: 0.9054002650008759 Energy: 0.9989121158891977 Energy: 0.9735271640166265 Energy: 0.9987727818927044 Energy: 0.9054002650014502 Energy: 0.9989121158891977 Energy: 0.9735271640206472 Energy: 0.9897261844261166 Energy: 0.961407256819626 Energy: 1.0353358848422396 Energy: 0.9204095796925313 Energy: 0.9897261844261166 Energy: 0.9614072568202005 Energy: 1.0353358848456862 Energy: 0.9052099906720242 Energy: 1.005702294512197 Energy: 0.969856814700483 Energy: 0.9636359898085635 Energy: 0.9052099906703012 Energy: 1.0057022945110483 Energy: 0.9698568147027806 Energy: 1.0183208364510248 Energy: 0.9588245461640632 Energy: 1.0069610805702494 Energy: 0.9197388906016573 Energy: 1.0183208364504506 Energy: 0.9588245461646376 Energy: 1.0069610805679519 Energy: 0.9052708763027453 Energy: 0.973788020952197 Energy: 0.9697915585008927 Energy: 1.005702473875848 Energy: 0.9052708762975757 Energy: 0.973788020952197 Energy: 0.9697915584997441 Energy: 1.0182282277700383 Energy: 0.9588313063086993 Energy: 0.9338152631698212 Energy: 0.9195719101184705 Energy: 1.0182282277723358 Energy: 0.9588313063092737 Energy: 0.9338152631675236 minimum gb energy = 0.9008830989994769 eV minimum distance = 2.32317286647656 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.9450335509043069 Energy: 1.0386334941031174 Energy: 0.9932979485203051 Energy: 1.0386821316427164 Energy: 0.9450335509203353 Energy: 1.0386334940871476 Energy: 0.9932979485170995 Energy: 1.0080068411113354 Energy: 0.9859154897827933 Energy: 0.9174338717518408 Energy: 0.9868295289533594 Energy: 1.0080068411113354 Energy: 0.9859154897892046 Energy: 0.9174338717422238 Energy: 0.9450375396430056 Energy: 0.986577754043541 Energy: 0.9886863767700805 Energy: 0.96307537560293 Energy: 0.9450375396398 Energy: 0.9865777540371294 Energy: 0.9886863767732862 Energy: 0.9121071770125981 Energy: 0.9922904682031268 Energy: 0.9219106757176944 Energy: 0.9931827123542147 Energy: 0.9121071770061869 Energy: 0.9922904682159495 Energy: 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0.9323871817529001 Energy: 0.9743847999758923 Energy: 0.9285408495242221 Energy: 0.9324299584472335 Energy: 0.9396265385098757 Energy: 0.9553347020213957 Energy: 0.9285408495242221 Energy: 0.9324299584536447 Energy: 0.93962653852264 Energy: 0.9061301534328348 Energy: 0.9311634573474146 Energy: 0.9388425612582011 Energy: 0.9402002452858154 Energy: 0.9061301534328348 Energy: 0.931163457334592 Energy: 0.938842561267818 Energy: 0.9355318344797401 Energy: 0.9275114269254113 Energy: 0.9768940279117773 Energy: 0.9855542628610111 Energy: 0.9355318344829459 Energy: 0.9275114269222058 Energy: 0.976894027914983 Energy: 0.9140005280671888 Energy: 0.9367140453049372 Energy: 1.0089739760465657 Energy: 0.9403988644007363 Energy: 0.9140005280671888 Energy: 0.9367140453081428 Energy: 1.0089739760433598 Energy: 0.9350011277844332 Energy: 0.9827711705685068 Energy: 0.9863061777905596 Energy: 1.0452087797598895 Energy: 0.9350011278036671 Energy: 0.9827711705588899 Energy: 0.9863061778162048 Energy: 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0.9486506025750587 Energy: 0.9332315905025613 Energy: 1.018460697511068 Energy: 0.9295422182114379 Energy: 0.9181703860599315 Energy: 0.9748910978742343 Energy: 0.9926331453328128 Energy: 0.9295422182242605 Energy: 0.9181703860663427 Energy: 0.9748910978646174 Energy: 0.9496379162695127 Energy: 0.9319416575584311 Energy: 1.002976415163451 Energy: 0.9241843330049785 Energy: 0.9496379162663069 Energy: 0.9319416575520197 Energy: 1.0029764151698624 Energy: 0.9296020154615157 Energy: 0.9704973708188254 Energy: 1.0079634426674822 Energy: 0.9744296411642758 Energy: 0.9296020154871608 Energy: 0.9704973708156197 Energy: 1.0079634426642767 Energy: 0.9495308895417841 Energy: 0.9722010609524532 Energy: 1.0052982167007427 Energy: 0.9467107934214316 Energy: 0.9495308895321672 Energy: 0.9722010609556005 Energy: 1.00529821668792 Energy: 0.9776198589543037 Energy: 0.9692339455780262 Energy: 0.9586786516974463 Energy: 0.9743686230659783 Energy: 0.9776198589446866 Energy: 0.9692339455812318 Energy: 0.9586786517070051 Energy: 0.9495834774237173 Energy: 0.9593573043698725 Energy: 1.066002403091323 Energy: 0.9735248707333816 Energy: 0.9495834774237173 Energy: 0.9593573043826954 Energy: 1.066002403091323 Energy: 0.928631251602728 Energy: 0.9689421166173839 Energy: 0.9475092572706988 Energy: 0.9741469378795707 Energy: 0.9286312516059335 Energy: 0.9689421166141783 Energy: 0.9475092572610817 Energy: 0.9504098258226282 Energy: 0.9348289409164071 Energy: 0.9855986544505719 Energy: 0.931567674873967 Energy: 0.9504098258386564 Energy: 0.9348289409068484 Energy: 0.9855986544473664 Energy: 0.9056099218859762 Energy: 0.974422222376994 Energy: 0.9469252011369181 Energy: 0.9914880100013569 Energy: 0.9056099218731537 Energy: 0.9744222223641715 Energy: 0.9469252011401238 minimum gb energy = 0.9056099218731537 eV minimum distance = 2.31701985827242 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.8992087207903765 Energy: 0.8255773789369704 Energy: 1.1490918495814268 Energy: 0.8255773789362475 Energy: 0.8992087207889311 Energy: 0.8255773789362475 Energy: 1.1490918495807043 Energy: 0.899208720794713 Energy: 0.8255773789391385 Energy: 1.1490918495770903 Energy: 0.8255773789398613 Energy: 0.899208720794713 Energy: 0.8255773789376931 Energy: 1.1490918495835951 Energy: 0.8992087207925449 Energy: 0.8255773789376931 Energy: 1.1490918495843179 Energy: 0.8255773789362475 Energy: 0.8992087207939905 Energy: 0.8255773789391385 Energy: 1.149091849577813 Energy: 0.8992087207896537 Energy: 0.8255773789384158 Energy: 1.1490918495807043 Energy: 0.8255773789369704 Energy: 0.8992087207896537 Energy: 0.8255773789369704 Energy: 1.1490918495814268 Energy: 0.8992087207925449 Energy: 0.8255773789384158 Energy: 1.149091849577813 Energy: 0.8255773789391385 Energy: 0.899208720794713 Energy: 0.8255773789369704 Energy: 1.1490918495843179 Energy: 0.899208720794713 Energy: 0.8255773789384158 Energy: 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0.8992087207939905 Energy: 0.8255773789369704 Energy: 0.9186847543705686 Energy: 0.8992087207925449 Energy: 0.8255773789384158 Energy: 1.1490918495843179 Energy: 0.8255773789376931 Energy: 0.8992087207932675 Energy: 0.8255773789398613 Energy: 1.1490918495770903 Energy: 0.8992087207910994 Energy: 0.8255773789369704 Energy: 1.1490918495807043 Energy: 0.8255773789362475 Energy: 0.8992087207889311 Energy: 0.8255773789362475 Energy: 1.1490918495814268 Energy: 0.8992087207939905 Energy: 0.8255773789391385 Energy: 1.1490918495792586 Energy: 0.8255773789398613 Energy: 0.8992087207932675 Energy: 0.8255773789376931 Energy: 1.1490918495843179 Energy: 0.8992087207925449 Energy: 0.8255773789376931 Energy: 0.9186847541899783 Energy: 0.8255773789369704 Energy: 0.8992087207932675 Energy: 0.8255773789384158 Energy: 0.9186847541719094 Energy: 0.8992087207896537 Energy: 0.8255773789384158 Energy: 0.9186847542246378 Energy: 0.8255773789376931 Energy: 0.8992087207896537 Energy: 0.8255773789369704 Energy: 0.9186847542499342 Energy: 0.8992087207932675 Energy: 0.8255773789384158 Energy: 0.9958529154881042 Energy: 0.8255773789391385 Energy: 0.899208720794713 Energy: 0.8255773789369704 Energy: 0.9958529154873813 Energy: 0.8992087207939905 Energy: 0.8255773789376931 Energy: 0.9958529154866587 Energy: 0.8255773789376931 Energy: 0.899208720794713 Energy: 0.8255773789398613 Energy: 0.9958529154881042 Energy: 0.8992087207903765 Energy: 0.8255773789369704 Energy: 0.9958529154888269 Energy: 0.8255773789362475 Energy: 0.8992087207896537 Energy: 0.8255773789362475 Energy: 0.9958529154866587 Energy: 0.8992087207932675 Energy: 0.8255773789391385 Energy: 0.9958529154873813 Energy: 0.8255773789398613 Energy: 0.8992087207939905 Energy: 0.8255773789376931 Energy: 0.9958529154873813 minimum gb energy = 0.8255773789362475 eV minimum distance = 2.3096470326081 Angstroms sigma value = 23