Model name: model_name=EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.615000084042549 cohesive_energy=3.540278406876014 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 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: 0.01548822640420713 Energy: 0.3237484126031521 Energy: 0.3237484126045976 Energy: 0.01548822640276162 Energy: 0.3237484126031521 Energy: 0.3237484126045976 Energy: 0.01548822640276162 Energy: 0.3237484126031521 Energy: 0.3237484126045976 Energy: 0.01548822640420713 Energy: 0.3209195448736876 Energy: 0.018306420176452363 Energy: 0.32102674014603355 Energy: 0.32091954487224217 Energy: 0.018306420176452363 Energy: 0.321026740144588 Energy: 0.3209195448736876 Energy: 0.018306420176452363 Energy: 0.32102674014603355 Energy: 0.32091954487224217 Energy: 0.6637853098628528 Energy: 0.18736569462095348 Energy: 0.18736569462095348 Energy: 0.6637853098585162 Energy: 0.18736569461950794 Energy: 0.18736569462095348 Energy: 0.6637853098599616 Energy: 0.18736569461950794 Energy: 0.18736569462095348 Energy: 0.6637853098614073 Energy: 0.3209195448736876 Energy: 0.321026740144588 Energy: 0.018306420176452363 Energy: 0.3209195448736876 Energy: 0.32102674014603355 Energy: 0.018306420176452363 Energy: 0.3209195448736876 Energy: 0.32102674014603355 Energy: 0.018306420175006857 Energy: 0.3209195448736876 Energy: 0.01548822640420713 Energy: 0.3237484126017066 Energy: 0.3237484126045976 Energy: 0.01548822640420713 Energy: 0.3237484126045976 Energy: 0.3237484126045976 Energy: 0.01548822640420713 Energy: 0.3237484126031521 Energy: 0.3237484126045976 Energy: 0.01548822640420713 Energy: 0.3209195448736876 Energy: 0.018306420176452363 Energy: 0.321026740144588 Energy: 0.3209195448736876 Energy: 0.018306420175006857 Energy: 0.321026740144588 Energy: 0.3209195448736876 Energy: 0.018306420176452363 Energy: 0.321026740144588 Energy: 0.3209195448736876 Energy: 0.6637853098599616 Energy: 0.18736569462095348 Energy: 0.18736569461950794 Energy: 0.6637853098599616 Energy: 0.18736569462095348 Energy: 0.18736569461950794 Energy: 0.6637853098556251 Energy: 0.18736569462095348 Energy: 0.18736569461950794 Energy: 0.6637853098614073 minimum gb energy = 0.01548822640276162 eV minimum distance = 2.35340403147891 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.8503663223166196 Energy: 0.9095024484567584 Energy: 0.909415349077294 Energy: 0.7538568615184271 Energy: 0.9095024484581745 Energy: 0.909415349080835 Energy: 0.8503663223159114 Energy: 0.9095024484581745 Energy: 0.9094153490794186 Energy: 0.7538568615191353 Energy: 0.7781876170613722 Energy: 0.7870941957687737 Energy: 0.8744857697132098 Energy: 0.7781876170567369 Energy: 0.7870941957758553 Energy: 0.8744857697121797 Energy: 0.7781876170539043 Energy: 0.787094195775147 Energy: 0.874485769713596 Energy: 0.7781876170535824 Energy: 0.7963738785374722 Energy: 0.9134787590946589 Energy: 0.8836895886852056 Energy: 0.804934049370991 Energy: 0.9134787590967834 Energy: 0.8836895886640255 Energy: 0.7963738786762058 Energy: 0.9134787590967834 Energy: 0.8836895886986607 Energy: 0.8049340493656477 Energy: 0.9094411547592789 Energy: 0.9791332101603962 Energy: 0.6895480389430995 Energy: 0.9094411547610814 Energy: 0.9791332101629068 Energy: 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0.9095024484624236 Energy: 0.909415349080835 Energy: 0.75727845097784 Energy: 0.778187617062724 Energy: 0.7870941957670355 Energy: 0.8744857697121797 Energy: 0.7781876170571232 Energy: 0.7870941957730226 Energy: 0.8744857697096691 Energy: 0.7781876170542906 Energy: 0.7870941957769496 Energy: 0.8744857697103772 Energy: 0.7781876170574451 Energy: 0.8366034532212154 Energy: 0.9134787590963971 Energy: 0.8836895886746478 Energy: 0.8464143845725394 Energy: 0.9134787591006459 Energy: 0.8836895887025876 Energy: 0.8366034532169666 Energy: 0.9134787590971052 Energy: 0.8836895886654418 Energy: 0.846414384576402 Energy: 0.9094411547561243 Energy: 0.9791332101603962 Energy: 0.6895480389395586 Energy: 0.9094411547582487 Energy: 0.9791332101629068 Energy: 0.689548038946962 Energy: 0.9094411547582487 Energy: 0.9791332101611043 Energy: 0.689548038941683 Energy: 0.909441154763206 minimum gb energy = 0.6560050531625609 eV minimum distance = 2.37627178555289 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.9834022535062032 Energy: 0.7586059273951732 Energy: 0.7585541741042016 Energy: 0.9009359040597331 Energy: 0.7586059273917177 Energy: 0.7585541741059292 Energy: 0.9834022535096585 Energy: 0.7586059273986286 Energy: 0.7585541741024737 Energy: 0.9009359040597331 Energy: 0.7589268721114717 Energy: 0.8102242734525026 Energy: 0.8962985537610233 Energy: 0.7589268721114717 Energy: 0.8102242734438955 Energy: 0.89629855375584 Energy: 0.758926872109744 Energy: 0.8102242734438955 Energy: 0.8962985537627509 Energy: 0.7589268721149273 Energy: 0.8380160755087427 Energy: 0.8193832358778478 Energy: 0.7621046318345589 Energy: 0.8257879159607819 Energy: 0.8193832358795755 Energy: 0.7621046318362866 Energy: 0.8380160754983764 Energy: 0.8193832358743923 Energy: 0.7621046318380144 Energy: 0.8257879159607819 Energy: 0.879557216347243 Energy: 0.8884930602797725 Energy: 0.7624321997113527 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======================================== Energy: 0.8696556096277261 Energy: 0.949908511235739 Energy: 0.9498506006793244 Energy: 0.8696556096266065 Energy: 0.9499085112368588 Energy: 0.9498506006793244 Energy: 0.8696556096277261 Energy: 0.949908511235739 Energy: 0.9498506006804439 Energy: 0.8696556096266065 Energy: 0.9057683346656269 Energy: 0.8935550622377837 Energy: 0.9546334339835858 Energy: 0.9057683346633876 Energy: 0.8935550622377837 Energy: 0.9546334339835858 Energy: 0.9057683346656269 Energy: 0.8935550622377837 Energy: 0.9546334339835858 Energy: 0.9057683346633876 Energy: 0.8769699718224052 Energy: 0.9051239565885582 Energy: 0.8898692237420007 Energy: 0.8769699718224052 Energy: 0.9051239565885582 Energy: 0.8898692237431202 Energy: 0.8769699718224052 Energy: 0.9051239565885582 Energy: 0.8898692237420007 Energy: 0.8769699718224052 Energy: 0.9543238489205642 Energy: 0.903125926642839 Energy: 0.912587621185716 Energy: 0.9543238489205642 Energy: 0.9031259266417192 Energy: 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1.0321521793008417 Energy: 1.0104658102146558 Energy: 1.028938958735681 Energy: 1.032152179302944 Energy: 1.010465810218786 Energy: 1.0289389587335784 Energy: 1.042497159654182 Energy: 0.994914192183986 Energy: 1.0310394769872144 Energy: 1.0424971596500519 Energy: 0.9949141921881158 Energy: 1.0310394769830846 Energy: 1.0424971596521546 Energy: 0.994914192183986 Energy: 1.0310394769851123 Energy: 1.0424971596521546 Energy: 1.0184249008776711 Energy: 1.016492749225595 Energy: 1.0311734328213173 Energy: 1.0184249008818012 Energy: 1.0164927492235674 Energy: 1.0311734328213173 Energy: 1.0184249008776711 Energy: 1.0164927492235674 Energy: 1.0311734328254476 Energy: 1.0184249008818012 Energy: 0.9955878029336622 Energy: 0.9883302968851924 Energy: 0.9942638423783614 Energy: 0.9955878029316347 Energy: 0.9883302968851924 Energy: 0.9942638423803889 Energy: 0.9955878029316347 Energy: 0.9883302968851924 Energy: 0.994263842376259 Energy: 0.9955878029316347 Energy: 1.0062869773246796 Energy: 1.0234819440194105 Energy: 1.0056069873718685 Energy: 1.0062869773225769 Energy: 1.0234819440152805 Energy: 1.0056069873677385 Energy: 1.0062869773246796 Energy: 1.0234819440194105 Energy: 1.0056069873718685 Energy: 1.0062869773205496 Energy: 1.0098971450166747 Energy: 1.0183530500873292 Energy: 1.0648247904354162 Energy: 1.0098971450187773 Energy: 1.0183530500831992 Energy: 1.0648247904354162 Energy: 1.0098971450187773 Energy: 1.0183530500873292 Energy: 1.0648247904354162 Energy: 1.0098971450187773 Energy: 1.0591540498158443 Energy: 1.0252978821242014 Energy: 1.0029815196401997 Energy: 1.0591540498117142 Energy: 1.0252978821283314 Energy: 1.0029815196381722 Energy: 1.0591540498158443 Energy: 1.025297882126229 Energy: 1.0029815196401997 Energy: 1.0591540498117142 Energy: 1.0006219430530006 Energy: 1.011248713896114 Energy: 1.0011455574752768 Energy: 1.000621943055103 Energy: 1.0112487139002437 Energy: 1.0011455574690444 Energy: 1.0006219430530006 Energy: 1.0112487139002437 Energy: 1.0011455574752768 Energy: 1.000621943055103 Energy: 1.0311850622470564 Energy: 1.031482440817285 Energy: 1.0082242593602955 Energy: 1.0311850622470564 Energy: 1.0314824408131549 Energy: 1.0082242593540627 Energy: 1.0311850622470564 Energy: 1.031482440817285 Energy: 1.0082242593602955 Energy: 1.0311850622470564 Energy: 0.9948254461190678 Energy: 0.9873180089155212 Energy: 1.028340219736495 Energy: 0.9948254461190678 Energy: 0.9873180089134937 Energy: 1.028340219736495 Energy: 0.9948254461190678 Energy: 0.9873180089155212 Energy: 1.028340219736495 Energy: 0.9948254461190678 Energy: 0.9940093639443952 Energy: 0.9868942800013751 Energy: 0.9937619475712136 Energy: 0.9940093639422926 Energy: 0.9868942800034778 Energy: 0.9937619475712136 Energy: 0.9940093639422926 Energy: 0.9868942800013751 Energy: 0.9937619475712136 Energy: 0.9940093639422926 Energy: 1.0106252757638778 Energy: 1.003200433405049 Energy: 1.0765394175439376 Energy: 1.0106252757618504 Energy: 1.003200433400919 Energy: 1.0765394175439376 Energy: 1.0106252757659802 Energy: 1.003200433405049 Energy: 1.0765394175439376 Energy: 1.0106252757618504 Energy: 1.018866335327146 Energy: 1.0305740183627927 Energy: 1.028838833898972 Energy: 1.0188663353312761 Energy: 1.0305740183627927 Energy: 1.0288388338949173 Energy: 1.018866335327146 Energy: 1.0305740183627927 Energy: 1.028838833898972 Energy: 1.0188663353291736 Energy: 0.9996420296636478 Energy: 1.0616857180448258 Energy: 1.0398952355488988 Energy: 0.9996420296636478 Energy: 1.0616857180427233 Energy: 1.0398952355510014 Energy: 0.9996420296636478 Energy: 1.0616857180448258 Energy: 1.0398952355488988 Energy: 0.9996420296636478 Energy: 1.0647248115284504 Energy: 1.0114574725097998 Energy: 1.0108163929786786 Energy: 1.0647248115325805 Energy: 1.0114574725159575 Energy: 1.010816392980706 Energy: 1.0647248115284504 Energy: 1.0114574725119023 Energy: 1.0108163929786786 Energy: 1.0647248115325805 minimum gb energy = 0.9855743122895582 eV minimum distance = 2.28278248031998 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.0087972509754748 Energy: 1.0140625014303466 Energy: 1.0140675459635842 Energy: 1.0087972509757277 Energy: 1.0140625014300937 Energy: 1.0140675459640898 Energy: 1.0087972509754748 Energy: 1.0140625014298408 Energy: 1.0140675459635842 Energy: 1.0087972509757277 Energy: 1.0463024842916575 Energy: 0.9835982110211656 Energy: 1.0364363752060233 Energy: 1.0463024842914044 Energy: 0.9835982110211656 Energy: 1.0364363752062764 Energy: 1.0463024842914044 Energy: 0.9835982110209127 Energy: 1.0364363752060233 Energy: 1.0463024842906459 Energy: 1.0014663427191814 Energy: 0.9813937003954825 Energy: 1.0032571995595945 Energy: 1.0014663427194113 Energy: 0.9813937003954825 Energy: 1.0032571995595945 Energy: 1.0014663427194113 Energy: 0.9813937003954825 Energy: 1.0032571995595945 Energy: 1.0014663427191814 Energy: 1.03682193475948 Energy: 0.9807219586971044 Energy: 1.078847687506291 Energy: 1.0368219347597096 Energy: 0.9807219586973573 Energy: 1.0788476875070496 Energy: 1.03682193475948 Energy: 0.9807219586971044 Energy: 1.078847687506291 Energy: 1.03682193475948 Energy: 1.0448683676654043 Energy: 0.9834139905534767 Energy: 1.0026814448444132 Energy: 1.0448683676651513 Energy: 0.9834139905529709 Energy: 1.0026814448444132 Energy: 1.0448683676654043 Energy: 0.9834139905537296 Energy: 1.0026814448439074 Energy: 1.0448683676654043 Energy: 0.9810328840768119 Energy: 1.072153691909515 Energy: 1.0331251471096594 Energy: 0.9810328840778235 Energy: 1.0721536919097678 Energy: 1.0331251471094063 Energy: 0.9810328840768119 Energy: 1.0721536919097678 Energy: 1.0331251471094063 Energy: 0.9810328840778235 Energy: 0.9831540959467614 Energy: 0.9811370224423768 Energy: 1.0343190186751539 Energy: 0.9831540959465085 Energy: 0.9811370224416182 Energy: 1.0343190186756597 Energy: 0.9831540959472673 Energy: 0.981137022441871 Energy: 1.0343190186754065 Energy: 0.9831540959470143 Energy: 1.0902294048585854 Energy: 1.0276868391134073 Energy: 1.0274618403282147 Energy: 1.0902294048573207 Energy: 1.0276868391139131 Energy: 1.0274618403282147 Energy: 1.090229404856309 Energy: 1.0276868391086018 Energy: 1.0274618403282147 Energy: 1.0902294048558032 Energy: 0.9830987366558628 Energy: 1.0342466842388096 Energy: 0.9811679647802132 Energy: 0.9830987366558628 Energy: 1.0342466842383038 Energy: 0.9811679647804661 Energy: 0.9830987366561157 Energy: 1.0342466842393154 Energy: 0.9811679647804661 Energy: 0.9830987366553569 Energy: 0.9810356991479479 Energy: 1.0330627794976437 Energy: 1.0721090880819786 Energy: 0.9810356991471891 Energy: 1.0330627794981493 Energy: 1.0721090880829902 Energy: 0.981035699147695 Energy: 1.0330627794973906 Energy: 1.0721090880822315 Energy: 0.981035699147442 Energy: 1.0444523705150053 Energy: 1.00265288291338 Energy: 0.9834053752374222 Energy: 1.0444523705150053 Energy: 1.00265288291338 Energy: 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1.0368219347592038 Energy: 1.0448683676651513 Energy: 0.9834139905527179 Energy: 1.0026814448439074 Energy: 1.0448683676651513 Energy: 0.9834139905539824 Energy: 1.0026814448441372 Energy: 1.0448683676648984 Energy: 0.9834139905527179 Energy: 1.0026814448444132 Energy: 1.0448683676656572 Energy: 0.9810328840773177 Energy: 1.072153691909515 Energy: 1.0331251471096594 Energy: 0.981032884076559 Energy: 1.072153691909515 Energy: 1.0331251471094063 Energy: 0.9810328840775707 Energy: 1.072153691909515 Energy: 1.0331251471096594 Energy: 0.9810328840768119 Energy: 0.9831540959465085 Energy: 0.9811370224413652 Energy: 1.0343190186759126 Energy: 0.9831540959472673 Energy: 0.9811370224411123 Energy: 1.0343190186751539 Energy: 0.9831540959465085 Energy: 0.9811370224416182 Energy: 1.0343190186756597 Energy: 0.9831540959470143 Energy: 1.0902294048573207 Energy: 1.0276868391172007 Energy: 1.0274618403282147 Energy: 1.0902294048565622 Energy: 1.0276868391139131 Energy: 1.0274618403279618 Energy: 1.0902294048575736 Energy: 1.027686839110878 Energy: 1.0274618403282147 Energy: 1.0902294048575736 Energy: 0.9830987366561157 Energy: 1.0342466842383038 Energy: 0.9811679647804661 Energy: 0.9830987366556099 Energy: 1.0342466842388096 Energy: 0.9811679647804661 Energy: 0.9830987366553569 Energy: 1.0342466842388096 Energy: 0.981167964780719 Energy: 0.9830987366558628 Energy: 0.9810356991469362 Energy: 1.0330627794978964 Energy: 1.0721090880824844 Energy: 0.981035699147695 Energy: 1.0330627794976437 Energy: 1.0721090880824844 Energy: 0.9810356991466834 Energy: 1.0330627794981493 Energy: 1.0721090880827375 Energy: 0.981035699147695 Energy: 1.0444523705150053 Energy: 1.00265288291338 Energy: 0.983405375238434 Energy: 1.044452370515511 Energy: 1.0026528829138859 Energy: 0.9834053752376752 Energy: 1.044452370515258 Energy: 1.00265288291338 Energy: 0.9834053752389397 Energy: 1.0444523705137405 Energy: 1.0369055473593154 Energy: 1.0796510042165568 Energy: 0.980798384046191 Energy: 1.0369055473588096 Energy: 1.0796510042456187 Energy: 0.980798384046191 Energy: 1.036905547359545 Energy: 1.079651004216304 Energy: 0.980798384046191 Energy: 1.0369055473588096 Energy: 1.0016158913357671 Energy: 1.0030996554263831 Energy: 0.9813890199760378 Energy: 1.001615891336273 Energy: 1.0030996554263831 Energy: 0.9813890199762907 Energy: 1.0016158913357671 Energy: 1.003099655426107 Energy: 0.9813890199760378 Energy: 1.001615891335997 Energy: 1.0461095459092797 Energy: 1.0364917388938608 Energy: 0.9835851431228986 Energy: 1.0461095459118088 Energy: 1.0364917388938608 Energy: 0.9835851431223928 Energy: 1.0461095459105445 Energy: 1.0364917388943666 Energy: 0.9835851431228986 Energy: 1.0461095459123146 Energy: 1.0087972509754748 Energy: 1.0140625014305997 Energy: 1.0140675459630784 Energy: 1.0087972509757277 Energy: 1.014062501429082 Energy: 1.0140675459640898 Energy: 1.0087972509754748 Energy: 1.014062501429335 Energy: 1.014067545963331 Energy: 1.0087972509757277 Energy: 1.0463024842914044 Energy: 0.9835982110206598 Energy: 1.0364363752060233 Energy: 1.0463024842908986 Energy: 0.9835982110214185 Energy: 1.0364363752060233 Energy: 1.0463024842919104 Energy: 0.9835982110209127 Energy: 1.0364363752057706 Energy: 1.0463024842906459 Energy: 1.0014663427191814 Energy: 0.9813937003954825 Energy: 1.0032571995595945 Energy: 1.0014663427191814 Energy: 0.9813937003954825 Energy: 1.0032571995601003 Energy: 1.0014663427191814 Energy: 0.9813937003954825 Energy: 1.0032571995601003 Energy: 1.0014663427194113 Energy: 1.03682193475948 Energy: 0.9807219586973573 Energy: 1.0788476875047734 Energy: 1.0368219347602154 Energy: 0.9807219586973573 Energy: 1.0788476875052793 Energy: 1.03682193475948 Energy: 0.9807219586973573 Energy: 1.0788476875047734 Energy: 1.0368219347599859 Energy: 1.0448683676651513 Energy: 0.9834139905532238 Energy: 1.002681444844919 Energy: 1.0448683676648984 Energy: 0.9834139905532238 Energy: 1.0026814448434016 Energy: 1.0448683676648984 Energy: 0.9834139905539824 Energy: 1.002681444844919 Energy: 1.0448683676648984 Energy: 0.981032884076559 Energy: 1.072153691909262 Energy: 1.0331251471094063 Energy: 0.9810328840770648 Energy: 1.0721536919097678 Energy: 1.0331251471094063 Energy: 0.9810328840770648 Energy: 1.072153691909515 Energy: 1.0331251471091536 Energy: 0.9810328840775707 Energy: 0.9831540959470143 Energy: 0.9811370224416182 Energy: 1.0343190186751539 Energy: 0.9831540959470143 Energy: 0.9811370224416182 Energy: 1.0343190186756597 Energy: 0.9831540959465085 Energy: 0.9811370224426299 Energy: 1.0343190186754065 Energy: 0.9831540959465085 Energy: 1.0902294048558032 Energy: 1.0276868391131542 Energy: 1.0274618403279618 Energy: 1.0902294048550447 Energy: 1.0276868391111311 Energy: 1.027461840327709 Energy: 1.0902294048545387 Energy: 1.0276868391111311 Energy: 1.0274618403282147 Energy: 1.0902294048558032 Energy: 0.9830987366558628 Energy: 1.0342466842383038 Energy: 0.9811679647804661 Energy: 0.9830987366553569 Energy: 1.0342466842390625 Energy: 0.9811679647802132 Energy: 0.9830987366563686 Energy: 1.0342466842388096 Energy: 0.9811679647804661 Energy: 0.9830987366553569 Energy: 0.981035699147442 Energy: 1.0330627794976437 Energy: 1.0721090880822315 Energy: 0.9810356991469362 Energy: 1.0330627794978964 Energy: 1.0721090880824844 Energy: 0.9810356991479479 Energy: 1.0330627794973906 Energy: 1.0721090880819786 Energy: 0.9810356991471891 Energy: 1.044452370515258 Energy: 1.00265288291338 Energy: 0.9834053752376752 Energy: 1.044452370515258 Energy: 1.0026528829128742 Energy: 0.9834053752389397 Energy: 1.0444523705134876 Energy: 1.00265288291315 Energy: 0.9834053752376752 Energy: 1.0444523705137405 Energy: 1.0369055473588096 Energy: 1.0796510042185803 Energy: 0.9807983840466968 Energy: 1.036905547359545 Energy: 1.0796510042165568 Energy: 0.980798384046191 Energy: 1.0369055473590392 Energy: 1.0796510042178216 Energy: 0.9807983840466968 Energy: 1.0369055473598212 minimum gb energy = 0.9807219586968515 eV minimum distance = 2.30532721937846 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.0006053230952732 Energy: 1.0016277127266993 Energy: 1.001385799402898 Energy: 1.0006053230961873 Energy: 1.0016277127244135 Energy: 1.0013857994038124 Energy: 1.0006053230952732 Energy: 1.0016277127257849 Energy: 1.001385799403355 Energy: 1.0006053230961873 Energy: 0.9989321140983529 Energy: 1.0011635879239797 Energy: 1.00081429273924 Energy: 0.9989321140965246 Energy: 1.0011635879226086 Energy: 1.0008142927396972 Energy: 0.9989321140978958 Energy: 1.0011635879239797 Energy: 1.00081429273924 Energy: 0.9989321140983529 Energy: 0.9997554035524824 Energy: 1.0005742299531557 Energy: 1.0832942077053678 Energy: 0.9997554035533965 Energy: 1.0005742299526985 Energy: 1.0832942077049106 Energy: 0.9997554035529395 Energy: 1.0005742299531557 Energy: 1.0832942077049106 Energy: 0.9997554035533965 Energy: 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0.9683228317686327 Energy: 0.9729919023538124 Energy: 0.9436732561702036 Energy: 0.9893611959941376 Energy: 1.0931725196233264 Energy: 0.9436732561702036 Energy: 0.9893611959941376 Energy: 1.0931725196253985 Energy: 0.943673256178492 Energy: 0.9893611959962098 Energy: 1.0931725196191824 Energy: 0.9436732561722758 Energy: 0.9735531815399263 Energy: 1.0831914440105868 Energy: 0.9574386962676104 Energy: 1.009354125385804 Energy: 1.0831914440126589 Energy: 0.9574386962634662 Energy: 0.9735531815419984 Energy: 1.0831914440188748 Energy: 0.9574386962634662 Energy: 1.009354125385804 minimum gb energy = 0.9401540706045708 eV minimum distance = 2.26010218700131 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9098792312842539 Energy: 0.921088052855782 Energy: 0.9201492527503601 Energy: 0.9098792312842539 Energy: 0.9210880528565368 Energy: 0.9201492527511149 Energy: 0.9098792312842539 Energy: 0.921088052855782 Energy: 0.9201492527503601 Energy: 0.9098792312842539 Energy: 0.9335030362319531 Energy: 0.8878154058512893 Energy: 0.901298535424079 Energy: 0.9335030362334629 Energy: 0.8878154058497794 Energy: 0.901298535424834 Energy: 0.9335030362296884 Energy: 0.8878154058520441 Energy: 0.901298535424079 Energy: 0.9335030362296884 Energy: 1.0068453582488337 Energy: 0.8796722553059821 Energy: 1.0897432999586374 Energy: 1.0068453582488337 Energy: 0.8796722553059821 Energy: 1.0897433051809549 Energy: 1.0068453582488337 Energy: 0.8796722553052272 Energy: 1.08974329884342 Energy: 1.0068453582480785 Energy: 1.000320071355437 Energy: 1.0049148294749606 Energy: 0.9352706547980169 Energy: 1.0003200713539273 Energy: 1.0049148294802448 Energy: 0.935270654797262 Energy: 1.000320071355437 Energy: 1.0049148294742059 Energy: 0.9352706547980169 Energy: 1.0003200713539273 Energy: 0.9349956187808113 Energy: 0.8969947535373543 Energy: 0.984821186457779 Energy: 0.9349956187815661 Energy: 0.8969947535365993 Energy: 0.9848211864600438 Energy: 0.9349956187808113 Energy: 0.8969947535373543 Energy: 0.9848211864585339 Energy: 0.9349956187815661 Energy: 0.9352856422381238 Energy: 1.035918487112032 Energy: 0.8876037925691388 Energy: 0.9352856422351041 Energy: 1.035918487112032 Energy: 0.8876037925691388 Energy: 0.9352856422381238 Energy: 1.035918487112032 Energy: 0.8876037925691388 Energy: 0.9352856422351041 Energy: 0.9331435419345289 Energy: 0.9085518552044461 Energy: 0.8796954039701567 Energy: 0.9331435419360387 Energy: 0.9085518552044461 Energy: 0.8796954039709115 Energy: 0.9331435419345289 Energy: 0.9085518552044461 Energy: 0.8796954039701567 Energy: 0.9331435419360387 Energy: 0.9201928580313306 Energy: 1.054832106075353 Energy: 0.8934699413819132 Energy: 0.9201928580305757 Energy: 1.0548321060768626 Energy: 0.893469941382668 Energy: 0.9201928580313306 Energy: 1.054832106075353 Energy: 0.8934699413796484 Energy: 0.9201928580305757 Energy: 1.0312645982868984 Energy: 0.8980261206667765 Energy: 0.8967745026408194 Energy: 1.0312645982846336 Energy: 0.898026120663002 Energy: 0.896774502643084 Energy: 1.0312645982876187 Energy: 0.8980261206667765 Energy: 0.8967745026408194 Energy: 1.0312645982838786 Energy: 0.9986711892536508 Energy: 0.9210765610128769 Energy: 0.9957580562762416 Energy: 0.9986711892528959 Energy: 0.9210765610166515 Energy: 0.9957575093928893 Energy: 0.9986711892528959 Energy: 0.9210765610128769 Energy: 0.9957577573203039 Energy: 0.9986711892528959 Energy: 0.975977971881874 Energy: 0.8856642620284114 Energy: 0.9197962922155165 Energy: 0.975977971881119 Energy: 0.8856642620269015 Energy: 0.9197962922140068 Energy: 0.9759779718841386 Energy: 0.8856642620284114 Energy: 0.9745225233198908 Energy: 0.975977971881119 Energy: 0.9299863150676739 Energy: 0.8911309268637356 Energy: 0.8917387895271683 Energy: 0.9299863150691834 Energy: 0.8911309268614709 Energy: 0.8917387895294331 Energy: 0.9299863150676739 Energy: 0.8911309268629806 Energy: 0.8917387895279233 Energy: 0.9299863150691834 Energy: 0.8969417021664624 Energy: 1.0689415939225588 Energy: 0.8969175554474429 Energy: 0.8969417021657077 Energy: 1.0689415939240685 Energy: 0.8969175554459331 Energy: 0.8969417021664624 Energy: 1.0689415939225588 Energy: 0.8969175554474429 Energy: 0.8969417021657077 Energy: 0.9015858007081381 Energy: 0.889098787282881 Energy: 0.8956876438126449 Energy: 0.9015858007104028 Energy: 0.8890987872866556 Energy: 0.89568764381189 Energy: 0.9015858007081381 Energy: 0.889098787282881 Energy: 0.8956876438111351 Energy: 0.9015858007096479 minimum gb energy = 0.8796722553052272 eV minimum distance = 2.29262933714097 Angstroms sigma value = 33