Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_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=3.615000158548355 cohesive_energy=3.5402784227038655 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: 0.016766430474070657 Energy: 0.4094350775113381 Energy: 0.7236229681415619 Energy: 0.4095290548524881 Energy: 0.016766430473814598 Energy: 0.4094350775118218 Energy: 0.22795984891207308 Energy: 0.42340250843172267 Energy: 0.017093956902366002 Energy: 0.2246284244184213 Energy: 0.017162867678765268 Energy: 0.4234025084324908 Energy: 0.01709395690185388 Energy: 0.2246284244186774 Energy: 0.016766430474070657 Energy: 0.4094350775113381 Energy: 0.7236229681408222 Energy: 0.409529054852232 Energy: 0.016766430473814598 Energy: 0.4094350775118218 Energy: 0.2279598489123291 Energy: 0.42340250843172267 Energy: 0.017093956902593608 Energy: 0.2246284244186774 Energy: 0.017162867679277386 Energy: 0.4234025084324908 Energy: 0.017093956902366002 Energy: 0.2246284244184213 Energy: 0.016766430474070657 Energy: 0.4094350775113381 Energy: 0.22795984891508886 Energy: 0.4095290548524881 Energy: 0.016766430473814598 Energy: 0.4094350775118218 Energy: 0.22795984891207308 Energy: 0.42340250843172267 Energy: 0.017093956902593608 Energy: 0.2246284244184213 Energy: 0.017162867678765268 Energy: 0.4234025084324908 Energy: 0.017093956902109943 Energy: 0.2246284244184213 minimum gb energy = 0.016766430473814598 eV minimum distance = 2.53387361625868 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.9833444760623833 Energy: 0.9368383881234154 Energy: 0.9712719834788829 Energy: 0.9360972516020616 Energy: 0.9833444760409721 Energy: 0.9368383881295329 Energy: 0.9530455690406762 Energy: 0.9193124357589796 Energy: 0.9195305344227529 Energy: 0.9152320166397265 Energy: 0.9421352031794503 Energy: 0.9193124357712145 Energy: 0.9195305344105735 Energy: 0.9152320166397265 Energy: 0.9151342812002877 Energy: 0.9222556803972588 Energy: 0.9211925609151619 Energy: 0.9373072062005632 Energy: 0.9151342811911115 Energy: 0.9222556804003177 Energy: 0.9211925608968095 Energy: 0.9985069670409461 Energy: 0.92833343400696 Energy: 0.8990681512052878 Energy: 0.9359020859429752 Energy: 0.998506967044005 Energy: 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0.9474140755120839 Energy: 0.9259374132865322 Energy: 0.9319228150418013 Energy: 0.915110622213657 Energy: 0.9660912517694417 Energy: 0.9259374132742972 Energy: 0.9319228150326252 Energy: 0.9151106222045364 Energy: 0.9742350632239343 Energy: 0.9112401990400535 Energy: 0.9415099612150778 Energy: 0.9180328195207157 Energy: 0.9742350632269932 Energy: 0.9112401990553473 Energy: 0.9415099612242542 Energy: 0.9590196884455597 Energy: 0.9623930778325196 Energy: 0.9378898585311406 Energy: 0.9474058618460132 Energy: 0.9590196884394422 Energy: 0.962393077841696 Energy: 0.9378898585189055 Energy: 0.9670585802727535 Energy: 0.9328065249329424 Energy: 0.9122855943553733 Energy: 0.9164743962670809 Energy: 0.9670585802727535 Energy: 0.9328065249482362 Energy: 0.912285594364494 Energy: 0.9124694254999225 Energy: 0.9199663029080324 Energy: 0.953821456755129 Energy: 0.9323735899589245 Energy: 0.9124694254815701 Energy: 0.9199663029263849 Energy: 0.9538214567581876 Energy: 0.9255776714834686 Energy: 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0.9332227076777316 Energy: 0.9251419118552273 Energy: 0.9304937627915283 Energy: 0.9449531341075511 Energy: 0.9012229198585939 Energy: 0.9362405482779952 Energy: 0.9219119883378799 Energy: 0.926726174141353 Energy: 0.9012229198647113 Energy: 0.9362405482688189 Energy: 0.9219119883470562 Energy: 0.9157596120897474 Energy: 0.9275970916967785 Energy: 0.9593270899888908 Energy: 0.9106459951320987 Energy: 0.9157596120836299 Energy: 0.9275970916937197 Energy: 0.9593270900041848 Energy: 0.9160152391973357 Energy: 0.9533298883858302 Energy: 0.9483004786758036 Energy: 0.9419112098140469 Energy: 0.9160152391912183 Energy: 0.9533298883919478 Energy: 0.9483004786880387 Energy: 0.9514180300004993 Energy: 0.9446668009555156 Energy: 0.922288445179009 Energy: 0.9367526693067517 Energy: 0.9514180300004993 Energy: 0.9446668009616331 Energy: 0.9222884451667741 Energy: 0.9713799323379692 Energy: 0.9280281727598173 Energy: 0.9325885870999377 Energy: 0.9728453788682809 Energy: 0.9713799323287928 Energy: 0.9280281727751111 Energy: 0.9325885870877028 Energy: 0.9516270813844454 Energy: 0.9169848107979317 Energy: 0.9185864771545447 Energy: 0.9328900245700514 Energy: 0.9516270813783279 Energy: 0.9169848108071079 Energy: 0.918586477151486 Energy: 0.9932851638207147 Energy: 0.9417659918003026 Energy: 0.9538963003795022 Energy: 0.9605322653756251 Energy: 0.9932851638207147 Energy: 0.94176599180642 Energy: 0.9538963003825611 Energy: 0.972822346440308 Energy: 0.9230434949023401 Energy: 0.9520461312667098 Energy: 0.9288631658063208 Energy: 0.9728223464250697 Energy: 0.923043494893164 Energy: 0.9520461312758862 Energy: 0.9012224085733498 Energy: 0.9324859431677277 Energy: 0.9695300994226902 Energy: 0.9330227783606404 Energy: 0.9012224085764085 Energy: 0.9324859431707866 Energy: 0.969530099428752 Energy: 0.9252164791025775 Energy: 0.9562203200894466 Energy: 0.9422805122301566 Energy: 0.9559658095371129 Energy: 0.9252164791178713 Energy: 0.9562203201047406 Energy: 0.9422805122332155 Energy: 0.9009053657224351 Energy: 0.9422282987707787 Energy: 0.9270530874634545 Energy: 0.9283098010696208 Energy: 0.9009053657163176 Energy: 0.9422282987830138 Energy: 0.9270530874573369 minimum gb energy = 0.8990681512052878 eV minimum distance = 2.29732259545051 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.9277849277417969 Energy: 0.953753735388791 Energy: 0.934042817479496 Energy: 0.9503126455747266 Energy: 0.9277849277400292 Energy: 0.9537537353901799 Energy: 0.9340428174881445 Energy: 0.9124421249798186 Energy: 0.934892428437979 Energy: 0.9590471266417467 Energy: 0.9544448273252654 Energy: 0.9124421249812074 Energy: 0.9348924284306562 Energy: 0.9590471266393479 Energy: 0.9142572520425148 Energy: 0.9414516258347726 Energy: 0.9596339831250947 Energy: 0.9443130985282626 Energy: 0.9142572520456081 Energy: 0.9414516258375502 Energy: 0.9596339831310288 Energy: 0.9255348377474202 Energy: 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0.9695540767341962 Energy: 0.9254371410652201 Energy: 0.9797391213079113 Energy: 0.9695122565049676 Energy: 0.9348100416371306 Energy: 0.9254371410575817 Energy: 0.9797391213075957 Energy: 0.9695122564987182 Energy: 0.9254070983079361 Energy: 0.9766220020819067 Energy: 0.953861317416092 Energy: 0.935200277850451 Energy: 0.9254070983151957 Energy: 0.9766220020867676 Energy: 0.953861317417102 Energy: 0.9142609632386072 Energy: 0.9421269636254429 Energy: 0.9212298864871972 Energy: 0.9521310372158646 Energy: 0.9142609632334308 Energy: 0.9421269636327024 Energy: 0.9212298864934467 Energy: 0.9227100634720828 Energy: 0.934505358275073 Energy: 0.996367651133065 Energy: 0.9511229773100746 Energy: 0.922710063473156 Energy: 0.9345053582722953 Energy: 0.996367651130603 Energy: 0.9975837359639069 Energy: 0.9537537353870866 Energy: 0.9340428174774129 Energy: 0.9503126455726434 Energy: 0.9975837359621393 Energy: 0.953753735388791 Energy: 0.9340428174871345 Energy: 0.9124421249791241 Energy: 0.9348924284352014 Energy: 0.9590471266407367 Energy: 0.9475785438444997 Energy: 0.9124421249812074 Energy: 0.9348924284292676 Energy: 0.959047126637959 minimum gb energy = 0.9069866452683543 eV minimum distance = 2.25777385669508 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.9996433910141348 Energy: 0.9396777687881794 Energy: 0.9733949767074841 Energy: 0.9397182858134668 Energy: 0.9996433910165402 Energy: 0.9396777687857739 Energy: 1.010757349192864 Energy: 0.9744094806128986 Energy: 0.9519998983515358 Energy: 0.963984309318516 Energy: 0.9343179984712655 Energy: 0.974409480616106 Energy: 0.9519998983567475 Energy: 0.9639843093205206 Energy: 0.9373311036714194 Energy: 0.9198546122163156 Energy: 1.0174139108437172 Energy: 0.9435902670879014 Energy: 0.9373311036730231 Energy: 0.9198546122127075 Energy: 1.0174139108413118 Energy: 0.9386366556806873 Energy: 0.9436330038175548 Energy: 1.0225639230914427 Energy: 0.9218468110936304 Energy: 0.9386366556778809 Energy: 0.943633003815951 Energy: 1.022563923091042 Energy: 0.9744172258174988 Energy: 0.9446715949147231 Energy: 1.022842802796214 Energy: 0.9451411767093701 Energy: 0.974417225817098 Energy: 0.9446715949095111 Energy: 0.990627084015581 Energy: 0.9382856371245273 Energy: 0.9234803055412623 Energy: 0.9664833090667023 Energy: 0.9183805149015629 Energy: 0.9382856371253291 Energy: 0.9234803055376541 Energy: 0.9664833090646977 Energy: 0.9367321184173092 Energy: 0.9518428187161512 Energy: 0.9308131958156368 Energy: 0.9565480513016139 Energy: 0.9367321184157055 Energy: 0.9518428187165522 Energy: 0.9308131958168395 Energy: 0.9379374981110751 Energy: 0.9437517153281729 Energy: 0.9606812933161685 Energy: 0.9451018753324645 Energy: 0.9379374981098724 Energy: 0.9437517153269703 Energy: 0.9606812933153667 Energy: 0.9365997751608685 Energy: 0.9433934750983833 Energy: 0.9514151243908795 Energy: 0.9691450283050035 Energy: 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0.977272419062803 Energy: 0.9774661668611175 Energy: 0.9407768309998468 Energy: 1.0123765033707568 Energy: 0.9463728091707471 Energy: 0.9774661668571084 Energy: 0.9407768309982432 Energy: 1.0123765033711576 Energy: 0.9801864834870908 Energy: 0.9712933116370464 Energy: 0.9810440343460086 Energy: 0.9553700669469675 Energy: 0.9801864834834825 Energy: 0.9712933116370464 Energy: 0.9810440343452067 Energy: 0.9931548562083184 Energy: 0.9214933628484755 Energy: 0.9687237983928808 Energy: 0.9346531590969969 Energy: 0.9931548562087195 Energy: 0.9214933628480745 Energy: 0.9687237983896734 Energy: 0.9424302760125604 Energy: 0.9414165567266974 Energy: 0.9712334182694258 Energy: 0.9543026452472405 Energy: 0.9424302760097539 Energy: 0.9414165567262965 Energy: 0.9712334182674213 Energy: 0.9366861037890651 Energy: 0.9691482470979386 Energy: 0.9366433164657484 Energy: 0.9432489735546028 Energy: 0.9366861037878624 Energy: 0.9691482470991414 Energy: 0.9366433164645457 Energy: 0.9379244246823806 Energy: 0.9452788792775353 Energy: 0.960744513297695 Energy: 0.9438968876277989 Energy: 0.937924424681178 Energy: 0.9452788792767334 Energy: 0.9607445132980958 Energy: 0.9367661610392547 Energy: 0.9566894245026568 Energy: 0.9680541337158219 Energy: 0.9518680962737965 Energy: 0.9367661610368492 Energy: 0.9566894245046615 Energy: 0.9680541337146191 Energy: 0.9382309542914959 Energy: 0.9183778483668379 Energy: 0.9664894545780109 Energy: 0.9234583669030946 Energy: 0.9382309542895277 Energy: 0.9183778483624279 Energy: 0.9664894545764072 Energy: 0.9743597053605877 Energy: 0.9453549550218261 Energy: 0.9744864867683173 Energy: 0.9445409490590166 Energy: 0.974359705358583 Energy: 0.9453549550206233 Energy: 0.9744864867647454 Energy: 0.9385943380683162 Energy: 0.9218696034349517 Energy: 1.0224921069511825 Energy: 0.9434808456631466 Energy: 0.9385943380707217 Energy: 0.9218696034353527 Energy: 1.0224921069487771 Energy: 0.9372214125669295 Energy: 0.9436789389766674 Energy: 0.9747129281921783 Energy: 0.9198453242523728 Energy: 0.9372214125657269 Energy: 0.9436789389742619 Energy: 0.9747129281889709 Energy: 0.9747905792420709 Energy: 0.9346407591663528 Energy: 0.964172541854881 Energy: 0.9521764561600812 Energy: 0.9747905792412693 Energy: 0.9346407591691591 Energy: 0.9641725418520746 Energy: 0.9996433910157383 Energy: 0.9396777687861749 Energy: 0.9881011683928388 Energy: 0.9397182858186788 Energy: 0.9996433910145357 Energy: 0.9396777687869768 Energy: 0.9881011683924378 Energy: 0.9744094806137004 Energy: 0.9519998983559458 Energy: 0.9639843093205206 Energy: 0.9343179984672563 Energy: 0.9744094806124977 Energy: 0.9519998983511349 Energy: 0.9639843093209216 Energy: 0.9373311036702165 Energy: 0.919854612214712 Energy: 1.0174139108413118 Energy: 0.9435902670866986 Energy: 0.9373311036706174 Energy: 0.9198546122119056 Energy: 1.0174139108421139 Energy: 0.9386366556798854 Energy: 0.9436330038171539 Energy: 1.0225639230930463 Energy: 0.9218468110960358 Energy: 0.93863665568189 Energy: 0.9436330038203611 Energy: 1.0225639230926455 Energy: 0.9744172258183007 Energy: 0.944671594910714 Energy: 0.9906270840175856 Energy: 0.9451411767097712 Energy: 0.9744172258150934 Energy: 0.9446715949135203 Energy: 0.9906270840159819 Energy: 0.9382856371245273 Energy: 0.9234803055388567 Energy: 0.9664833090687069 Energy: 0.9183805149023647 Energy: 0.9382856371241264 Energy: 0.9234803055388567 Energy: 0.9664833090659005 Energy: 0.9367321184145025 Energy: 0.9518428187161512 Energy: 0.9308131958172405 Energy: 0.9565480513024158 Energy: 0.93673211841771 Energy: 0.9518428187153493 Energy: 0.9308131958156368 Energy: 0.9379374981130797 Energy: 0.943751715327371 Energy: 0.9606812933157675 Energy: 0.9451018753324645 Energy: 0.9379374981110751 Energy: 0.9437517153293757 Energy: 0.9606812933129611 Energy: 0.9365997751572602 Energy: 0.9433934750935725 Energy: 0.9367249247303971 Energy: 0.9691450283033998 Energy: 0.9365997751608685 Energy: 0.9433934750987842 Energy: 0.9367249247259871 Energy: 0.9424133588354754 Energy: 0.9544112828672072 Energy: 0.9712275203587625 Energy: 0.941445863730338 Energy: 0.9424133588370791 Energy: 0.9544112828688108 Energy: 0.9712275203567577 minimum gb energy = 0.9183778483624279 eV minimum distance = 2.28639719847347 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.9412264042738113 Energy: 0.9649615674522092 Energy: 0.9877866147906765 Energy: 0.9646415474731543 Energy: 0.9412264042861133 Energy: 0.9649615674427461 Energy: 0.9876122036681843 Energy: 0.9303351177808744 Energy: 0.9408112553708327 Energy: 0.8747045906515087 Energy: 0.9390785411530417 Energy: 0.9303351177804012 Energy: 0.9408112553670476 Energy: 0.8747045906467772 Energy: 0.9412804550449274 Energy: 0.8767500289770906 Energy: 0.9434644124804913 Energy: 0.9396033753427386 Energy: 0.9412804550515516 Energy: 0.8767500289761443 Energy: 0.9434644124838034 Energy: 0.9364919957863685 Energy: 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0.9391790684075703 Energy: 0.8746588270687614 Energy: 0.9412264042742845 Energy: 0.9649615674531554 Energy: 0.9876122036658185 Energy: 0.9646415474722079 Energy: 0.9412264042865863 Energy: 0.9649615674432193 Energy: 0.9876122036691306 Energy: 0.930335117779455 Energy: 0.9408112553708327 Energy: 0.874704590649143 Energy: 0.9390785411516221 Energy: 0.9303351177799281 Energy: 0.9408112553670476 Energy: 0.8747045906453578 Energy: 0.9412804550449274 Energy: 0.8767500289761443 Energy: 0.9434644124814375 Energy: 0.9396033753432118 Energy: 0.9412804550506052 Energy: 0.8767500289742516 Energy: 0.9434644124842766 Energy: 0.9364919957854222 Energy: 0.9709904920439001 Energy: 0.8747637433034997 Energy: 0.9519612832890406 Energy: 0.9364919957835296 Energy: 0.9709904920424804 Energy: 0.8747637433087044 Energy: 0.9908740834340045 Energy: 0.9393633919946477 Energy: 0.938116770711175 Energy: 0.9395913881386754 Energy: 0.9908740834444137 Energy: 0.9393633919918087 Energy: 0.9381167707196919 Energy: 0.9365905323860754 Energy: 0.9428703247620699 Energy: 1.012477386333466 Energy: 0.9508194951619634 Energy: 0.9365905323870217 Energy: 0.9428703247644357 Energy: 1.0124773863466714 Energy: 1.0628526805764782 Energy: 0.939035012508283 Energy: 0.919462937361837 Energy: 0.9391459810571055 Energy: 1.0628526805783705 Energy: 0.9390350125125415 Energy: 0.9194629373533203 Energy: 0.9432050434871776 Energy: 0.8762047663777403 Energy: 0.9993742200246648 Energy: 0.8762107296165075 Energy: 0.9432050434909628 Energy: 0.8762047663715892 Energy: 0.9993742200275039 Energy: 1.0630839632683742 Energy: 0.939202992872658 Energy: 0.927342950175858 Energy: 0.9391821451964135 Energy: 1.0630839632726328 Energy: 0.9392029928674531 Energy: 0.927342950175858 Energy: 0.9364122473525477 Energy: 0.9506926840099075 Energy: 1.0105866010323301 Energy: 0.9430106570493668 Energy: 0.9364122473525477 Energy: 0.9506926840103805 Energy: 1.010586601028588 Energy: 0.9906814808242138 Energy: 0.9394228862945294 Energy: 0.874990546794922 Energy: 0.9393733959653159 Energy: 0.9906814808232676 Energy: 0.9394228862954758 Energy: 0.874990546807224 Energy: 0.9364630095667384 Energy: 0.9517528214557367 Energy: 0.8749957459476967 Energy: 0.9710518838792361 Energy: 0.9364630095506513 Energy: 0.9517528214595219 Energy: 0.8749957459415455 Energy: 0.9413333954241272 Energy: 0.9396058349536226 Energy: 0.9530535204067015 Energy: 0.8767325021064704 Energy: 0.9413333954241272 Energy: 0.9396058349564615 Energy: 0.9530535203996041 Energy: 0.9305956233755034 Energy: 0.939179068403312 Energy: 0.8746588270654494 Energy: 0.9407775003692647 Energy: 0.930595623367933 Energy: 0.939179068406624 Energy: 0.8746588270687614 Energy: 0.9412264042733381 Energy: 0.9649615674522092 Energy: 0.9876122036648721 Energy: 0.9646415474731543 Energy: 0.941226404285167 Energy: 0.9649615674427461 Energy: 0.9876122036691306 Energy: 0.9303351177808744 Energy: 0.9408112553703595 Energy: 0.8747045906519818 Energy: 0.9390785411502027 Energy: 0.9303351177799281 Energy: 0.9408112553670476 Energy: 0.8747045906477235 minimum gb energy = 0.8746588270654494 eV minimum distance = 2.32813127143948 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.034696870055127 Energy: 0.9680880092227776 Energy: 0.9697873764116448 Energy: 1.0002941090070632 Energy: 1.034696870057999 Energy: 0.968088009223352 Energy: 0.969787376410496 Energy: 0.9945581858932412 Energy: 0.931741625682978 Energy: 0.931698119287588 Energy: 0.9881400501722695 Energy: 0.9945581858932412 Energy: 0.9317416256806804 Energy: 0.9316981192881624 Energy: 0.9543440348219634 Energy: 0.9651416961937019 Energy: 0.939040134846283 Energy: 0.9334666329212762 Energy: 0.9543440348231121 Energy: 0.9651416961919788 Energy: 0.9390401348468574 Energy: 0.993891334838551 Energy: 0.9315490831120138 Energy: 0.9330782521783418 Energy: 0.9307008935883953 Energy: 0.9938913348391252 Energy: 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0.885258442940857 Energy: 0.9658106139170505 Energy: 0.9477597265067036 Energy: 0.9737829948792679 Energy: 0.9306419086010443 Energy: 0.9531918601738237 Energy: 0.8995444896515227 Energy: 0.9737829948786937 Energy: 0.9306419086021932 Energy: 0.9531918601761212 Energy: 0.8849375993191386 Energy: 0.9383189495174585 Energy: 0.9441440713009874 Energy: 0.9432360594576327 Energy: 0.884937599319713 Energy: 0.9383189495191817 Energy: 0.9441440713015619 Energy: 0.987643447536165 Energy: 0.9302897026803089 Energy: 0.9669133408698558 Energy: 0.915716844533658 Energy: 0.9876434475367392 Energy: 0.93028970267916 Energy: 0.966913340871579 Energy: 0.8850676739787342 Energy: 0.9385792520094951 Energy: 0.9432606679513913 Energy: 0.9662399920591592 Energy: 0.8850676739816064 Energy: 0.9385792520106438 Energy: 0.9432606679513913 Energy: 0.987860720223872 Energy: 0.9301774453180125 Energy: 0.9192503115828962 Energy: 0.9832165659584445 Energy: 0.9878607202232975 Energy: 0.9301774453203101 Energy: 0.919250311585742 minimum gb energy = 0.8849375993191386 eV minimum distance = 2.31026087486005 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.9124381498289243 Energy: 0.9449913783847811 Energy: 0.8988237732645147 Energy: 0.9447612471786322 Energy: 0.9124381498257186 Energy: 0.9449913783911924 Energy: 0.8988237732452807 Energy: 0.9771261302290949 Energy: 0.9551744393914464 Energy: 0.8736921549508507 Energy: 0.9552920157259842 Energy: 0.9771261302194778 Energy: 0.9551744393754181 Energy: 0.8736921549508507 Energy: 0.9124968477073039 Energy: 0.9347687562834354 Energy: 0.8842301229487399 Energy: 0.9301792725446816 Energy: 0.9124968477105095 Energy: 0.9347687562770242 Energy: 0.8935161042076877 Energy: 0.88304355725795 Energy: 0.9556138089819847 Energy: 0.8775661005263808 Energy: 0.958123540304175 Energy: 0.883043557267567 Energy: 0.9556138089755735 Energy: 0.8775661005263808 Energy: 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0.9021868600390643 Energy: 0.8990487524375009 Energy: 0.8949146438832949 Energy: 0.8908033519697065 Energy: 0.9079933878276129 Energy: 0.8990487524407066 Energy: 0.8949146438705305 Energy: 0.8908033519760594 Energy: 0.8780569749078732 Energy: 0.895119783341993 Energy: 0.8928446037349438 Energy: 0.9053670032498178 Energy: 0.8780569749078732 Energy: 0.89511978335161 Energy: 0.8928446037381494 Energy: 0.897276331264822 Energy: 0.8918887219810799 Energy: 0.9345668307158188 Energy: 0.9533204956770026 Energy: 0.8972763312616163 Energy: 0.8918887219842858 Energy: 0.9345668307062018 Energy: 0.8861414510168735 Energy: 0.9069727278713426 Energy: 0.9610622824083397 Energy: 0.9053414281748808 Energy: 0.8861414510232847 Energy: 0.9069727278649313 Energy: 0.961062282405134 Energy: 0.899528876981884 Energy: 0.9507618889635671 Energy: 0.9427347955364193 Energy: 1.007152644478013 Energy: 0.8995288769786784 Energy: 0.950761888973184 Energy: 0.9427347955364193 Energy: 0.896265681287716 Energy: 0.9481573455164386 Energy: 1.0402260582159821 Energy: 0.8923352356720079 Energy: 0.8962656812909217 Energy: 0.9481573455132329 Energy: 1.0402260582063652 Energy: 1.011473688283287 Energy: 0.9488539370895454 Energy: 0.9081912293445423 Energy: 1.0073708006120878 Energy: 1.0114736882736701 Energy: 0.948853937083134 Energy: 0.9081912293509536 Energy: 0.900964030595142 Energy: 1.003840313770151 Energy: 0.9408166921860213 Energy: 0.95248522088802 Energy: 0.9009640305823775 Energy: 1.003840313770151 Energy: 0.9408166921892268 Energy: 1.0117573779186033 Energy: 0.9490926693293732 Energy: 0.902309813856099 Energy: 1.007483113307774 Energy: 1.0117573779250146 Energy: 0.9490926693325787 Energy: 0.9051037582827421 Energy: 0.89719153523614 Energy: 0.9513075955920814 Energy: 1.023624996205688 Energy: 0.9087475439676173 Energy: 0.897191535226523 Energy: 0.9513075955984927 Energy: 1.0236249962024826 Energy: 0.8986888942615413 Energy: 0.9489337521533504 Energy: 0.9270571027992158 Energy: 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0.9010276040127488 Energy: 0.9836703785907379 Energy: 0.9019269483267395 Energy: 0.8891850187286319 Energy: 0.9295904215241296 Energy: 0.9528661560012804 Energy: 0.9019269483267395 Energy: 0.8891850187318374 Energy: 0.9295904215145128 Energy: 0.9204244765530301 Energy: 0.8983572062531168 Energy: 0.9582756054999201 Energy: 0.8992992602542874 Energy: 0.9204244765498243 Energy: 0.898357206249911 Energy: 0.9582756054967145 Energy: 0.9020057887909415 Energy: 0.9396824904476497 Energy: 0.9598416754685136 Energy: 0.9430760169074066 Energy: 0.9020057887973527 Energy: 0.939682490454061 Energy: 0.9598416754685136 Energy: 0.9184844658155917 Energy: 0.936164689164749 Energy: 0.9241759710955513 Energy: 0.9104247434213987 Energy: 0.9184844658155917 Energy: 0.9361646891551321 Energy: 0.9241759710827285 Energy: 0.9522016977863262 Energy: 0.9390929123033028 Energy: 0.9232386684435605 Energy: 0.9431756516792306 Energy: 0.9522016977670923 Energy: 0.9390929122968914 Energy: 0.9232386684467663 Energy: 0.9188858927757884 Energy: 0.9197877794055559 Energy: 0.9431807308819175 Energy: 0.9310056182530319 Energy: 0.9188858927661714 Energy: 0.9197877793927333 Energy: 0.9431807308755061 Energy: 0.9025267905050569 Energy: 0.9390278651405451 Energy: 0.909315065182913 Energy: 0.9426845380021243 Energy: 0.9025267905018513 Energy: 0.9390278651469564 Energy: 0.9093150651797075 Energy: 0.9194483581881162 Energy: 0.9171483682898028 Energy: 0.9522709051429142 Energy: 0.8977803684098112 Energy: 0.9194483581945275 Energy: 0.9171483682737747 Energy: 0.9522709653183907 Energy: 0.8779475895868775 Energy: 0.9376247129192277 Energy: 0.9079083417795217 Energy: 0.9617811893257545 Energy: 0.8779475895868775 Energy: 0.9376247129128165 Energy: 0.9079083417891387 minimum gb energy = 0.8736921549508507 eV minimum distance = 2.33084344067993 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.8699799339765995 Energy: 0.7744834713471609 Energy: 0.8878961279708795 Energy: 0.7744834713529429 Energy: 0.8699799339794906 Energy: 0.7744834713529429 Energy: 0.8302011273886065 Energy: 0.8699799339794906 Energy: 0.7744834713536657 Energy: 0.9001485656456747 Energy: 0.7744834713486065 Energy: 0.8699799339794906 Energy: 0.7744834713464381 Energy: 0.8302011273893294 Energy: 0.869979933980936 Energy: 0.7744834713457154 Energy: 0.9626967486483897 Energy: 0.7744834713457154 Energy: 0.8699799339794906 Energy: 0.7744834713478836 Energy: 0.8302011273929432 Energy: 0.8699799339773222 Energy: 0.7744834713471609 Energy: 0.8864918200287897 Energy: 0.7744834713536657 Energy: 0.869979933980936 Energy: 0.7744834713536657 Energy: 0.8302011273871612 Energy: 0.869979933980936 Energy: 0.7744834713529429 Energy: 0.8302011273943886 Energy: 0.7744834713478836 Energy: 0.8699799339787677 Energy: 0.7744834713464381 Energy: 0.8302011273893294 Energy: 0.8699799339794906 Energy: 0.7744834713457154 Energy: 0.8932070498841801 Energy: 0.7744834713464381 Energy: 0.8699799339794906 Energy: 0.7744834713486065 Energy: 0.8302011273929432 Energy: 0.869979933978045 Energy: 0.7744834713471609 Energy: 0.8864918200280669 Energy: 0.7744834713529429 Energy: 0.8699799339794906 Energy: 0.7744834713529429 Energy: 0.8302011273893294 Energy: 0.869979933980936 Energy: 0.7744834713529429 Energy: 0.9001485656456747 Energy: 0.7744834713478836 Energy: 0.8699799339794906 Energy: 0.7744834713464381 Energy: 0.8302011273886065 Energy: 0.8699799339802133 Energy: 0.7744834713457154 Energy: 0.8302011273886065 Energy: 0.7744834713464381 Energy: 0.8699799339787677 Energy: 0.7744834713478836 Energy: 0.8302011273943886 Energy: 0.869979933978045 Energy: 0.7744834713471609 Energy: 0.8302011273886065 Energy: 0.7744834713529429 Energy: 0.8699799339802133 Energy: 0.7744834713536657 Energy: 0.8302011273886065 Energy: 0.869979933980936 Energy: 0.7744834713529429 Energy: 0.8302011273958342 Energy: 0.7744834713478836 Energy: 0.8699799339787677 Energy: 0.7744834713464381 Energy: 0.8302011273893294 Energy: 0.8699799339802133 Energy: 0.7744834713464381 Energy: 0.8302011273871612 Energy: 0.7744834713464381 Energy: 0.8699799339787677 Energy: 0.7744834713486065 Energy: 0.8302011273922205 Energy: 0.869979933978045 Energy: 0.7744834713478836 Energy: 0.8302011273886065 Energy: 0.7744834713529429 Energy: 0.8699799339794906 Energy: 0.7744834713529429 Energy: 0.8302011273893294 Energy: 0.8699799339802133 Energy: 0.7744834713529429 Energy: 0.8302011273922205 Energy: 0.7744834713486065 Energy: 0.8699799339787677 Energy: 0.7744834713464381 Energy: 0.8302011273878838 Energy: 0.8699799339794906 Energy: 0.7744834713457154 Energy: 0.8302011273886065 Energy: 0.7744834713464381 Energy: 0.8699799339787677 Energy: 0.7744834713478836 Energy: 0.8302011273929432 Energy: 0.8699799339773222 Energy: 0.7744834713471609 Energy: 0.8302011273878838 Energy: 0.7744834713536657 Energy: 0.8699799339802133 Energy: 0.7744834713536657 Energy: 0.8302011273886065 Energy: 0.8699799339802133 Energy: 0.7744834713522202 Energy: 0.8302011273943886 Energy: 0.7744834713478836 Energy: 0.869979933978045 Energy: 0.7744834713464381 Energy: 0.8302011273893294 Energy: 0.8699799339802133 Energy: 0.7744834713464381 Energy: 0.8302011273871612 Energy: 0.7744834713457154 Energy: 0.8699799339787677 Energy: 0.7744834713486065 Energy: 0.8302011273929432 Energy: 0.8699799339773222 Energy: 0.7744834713471609 Energy: 0.8302011273886065 Energy: 0.7744834713529429 Energy: 0.8699799339794906 Energy: 0.7744834713529429 Energy: 0.8302011273893294 Energy: 0.869979933980936 Energy: 0.7744834713536657 Energy: 0.8302011273951114 Energy: 0.7744834713486065 Energy: 0.8699799339787677 Energy: 0.7744834713457154 Energy: 0.8302011273886065 minimum gb energy = 0.7744834713457154 eV minimum distance = 2.41734869568744 Angstroms sigma value = 23