Model name: model_name=Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.0415970236062995 cohesive_energy=3.3700537750426105 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 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: 0.010426021031132883 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.34255260865418047 Energy: 1.127209039185652 Energy: 0.34255260865392956 Energy: 1.1272090391866278 Energy: 0.34255260865418047 Energy: 1.1272090391851501 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.3425526086544314 Energy: 1.1272090391846763 Energy: 0.34255260865392956 Energy: 1.1272090391863767 Energy: 0.34255260865418047 Energy: 1.1272090391859027 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.010426021031383782 Energy: 0.34255260865418047 Energy: 0.34255260865418047 Energy: 1.127209039186126 Energy: 0.34255260865418047 Energy: 1.1272090391859027 Energy: 0.34255260865418047 Energy: 1.127209039185652 minimum gb energy = 0.010426021031132883 eV minimum distance = 2.61301894413954 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.7228979304414803 Energy: 0.7123313228983199 Energy: 0.7228979304420842 Energy: 0.7123313228983199 Energy: 0.7228979304408765 Energy: 0.712331322897716 Energy: 0.7396495729576454 Energy: 0.6767493778879439 Energy: 0.7396495729558334 Energy: 0.6767493778879439 Energy: 0.7396495729564374 Energy: 0.6767493778873398 Energy: 0.6800366141958601 Energy: 0.7407641732651764 Energy: 0.6800366141952561 Energy: 0.7407641732651764 Energy: 0.6800366141958601 Energy: 0.7407641732651764 Energy: 0.7607348101240812 Energy: 0.6671530756895312 Energy: 0.7607348101234772 Energy: 0.6671530756895312 Energy: 0.7607348101228731 Energy: 0.667153075690135 Energy: 0.7086330521600224 Energy: 0.7306950129147484 Energy: 0.7086330521600224 Energy: 0.7306950129153523 Energy: 0.7086330521606262 Energy: 0.7306950129147484 Energy: 0.7305197689372825 Energy: 0.6766344687176838 Energy: 0.7305197689378864 Energy: 0.6766344687176838 Energy: 0.7305197689366786 Energy: 0.6766344687176838 Energy: 0.7084588418081623 Energy: 0.7380044660562906 Energy: 0.7084588418081623 Energy: 0.7380044660562906 Energy: 0.7084588418081623 Energy: 0.7380044660562906 Energy: 0.7000092807755659 Energy: 0.7435777852884198 Energy: 0.7000092807761699 Energy: 0.7435777852884198 Energy: 0.7000092807761699 Energy: 0.7435777852878159 Energy: 0.7299333742383918 Energy: 0.710718302921355 Energy: 0.729933374237184 Energy: 0.7107183029207508 Energy: 0.7299333742383918 Energy: 0.710718302921355 Energy: 0.6450775683344839 Energy: 0.7504005769049732 Energy: 0.6450775683344839 Energy: 0.7504005769049732 Energy: 0.64507756833388 Energy: 0.7504005769055773 Energy: 0.7698878710352579 Energy: 0.6505340517093808 Energy: 0.7698878710352579 Energy: 0.6505340517087769 Energy: 0.7698878710358619 Energy: 0.6505340517081729 Energy: 0.6614966622260137 Energy: 0.7908795062829034 Energy: 0.6614966622266175 Energy: 0.7908795062829034 Energy: 0.6614966622260137 Energy: 0.7908795062835072 Energy: 0.7700317086620706 Energy: 0.6573246742008778 Energy: 0.7700317086620706 Energy: 0.6573246742008778 Energy: 0.7700317086614668 Energy: 0.6573246742008778 Energy: 0.6863627713242474 Energy: 0.7738915703220982 Energy: 0.6863627713242474 Energy: 0.7738915703214944 Energy: 0.6863627713242474 Energy: 0.7738915703214944 Energy: 0.7520862824497343 Energy: 0.6811880063744096 Energy: 0.7520862824491304 Energy: 0.6811880063744096 Energy: 0.7520862824491304 Energy: 0.6811880063750135 Energy: 0.75277729779933 Energy: 0.7323396717514862 Energy: 0.75277729779933 Energy: 0.7323396717514862 Energy: 0.7527772977999339 Energy: 0.7323396717520901 Energy: 0.7237937411848071 Energy: 0.7010930360253704 Energy: 0.7237937411854111 Energy: 0.7010930360253704 Energy: 0.7237937411842033 Energy: 0.7010930360253704 Energy: 0.7224101850672062 Energy: 0.6959632027236965 Energy: 0.7224101850672062 Energy: 0.6959632027236965 Energy: 0.7224101850672062 Energy: 0.6959632027236965 Energy: 0.6682440732990633 Energy: 0.7296593482111172 Energy: 0.6682440732990633 Energy: 0.7296593482117211 Energy: 0.6682440732996674 Energy: 0.7296593482117211 Energy: 0.732409207998661 Energy: 0.6892701666501986 Energy: 0.7324092079992649 Energy: 0.6892701666495946 Energy: 0.732409207999869 Energy: 0.6892701666501986 Energy: 0.6653093350944771 Energy: 0.8084871954243018 Energy: 0.6653093350944771 Energy: 0.8084871954243018 Energy: 0.6653093350944771 Energy: 0.808487195424906 Energy: 0.6990614730056006 Energy: 0.7076645294885303 Energy: 0.6990614730056006 Energy: 0.7076645294897382 Energy: 0.6990614730056006 Energy: 0.7076645294891344 Energy: 0.69986426335802 Energy: 0.7690598134779537 Energy: 0.69986426335802 Energy: 0.7690598134773498 Energy: 0.699864263358624 Energy: 0.7690598134779537 minimum gb energy = 0.64507756833388 eV minimum distance = 2.58652487397273 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.7398152890338529 Energy: 0.7219236546573763 Energy: 0.722345550573252 Energy: 0.7219236546573763 Energy: 0.7398152890338529 Energy: 0.7219236546573763 Energy: 0.7768391925465877 Energy: 0.7031528627874482 Energy: 0.7768391925465877 Energy: 0.7031528627874482 Energy: 0.7768391925459006 Energy: 0.7031528627871046 Energy: 0.6866764379676368 Energy: 0.709150766274374 Energy: 0.6866764379676368 Energy: 0.7091507662740304 Energy: 0.6866764379676368 Energy: 0.7091507662747174 Energy: 0.7540185074222496 Energy: 0.710901299310164 Energy: 0.7540185074225932 Energy: 0.710901299310164 Energy: 0.7540185074222496 Energy: 0.710901299310164 Energy: 0.7150552039369812 Energy: 0.7474767428939656 Energy: 0.7150552039366377 Energy: 0.7474767428939656 Energy: 0.7150552039366377 Energy: 0.7474767428932787 Energy: 0.6989897349728087 Energy: 0.6910076335008993 Energy: 0.6989897349724652 Energy: 0.6910076335008993 Energy: 0.6989897349728087 Energy: 0.6910076335015863 Energy: 0.7581364546877706 Energy: 0.7509693705969813 Energy: 0.7581271762051502 Energy: 0.7509693705966377 Energy: 0.7581364546870837 Energy: 0.7509693705966377 Energy: 0.6591734696683491 Energy: 0.746464889833855 Energy: 0.659114646680708 Energy: 0.746464889833855 Energy: 0.6591734696683491 Energy: 0.7464648898345421 Energy: 0.7176724692448624 Energy: 0.6761512023123462 Energy: 0.7176724692438318 Energy: 0.6761512023130332 Energy: 0.7176724692448624 Energy: 0.6761512023150944 Energy: 0.669885711119685 Energy: 0.7715719273543483 Energy: 0.6698896068748811 Energy: 0.7715719273536614 Energy: 0.6698857111193414 Energy: 0.771571927354692 Energy: 0.7292737146860431 Energy: 0.6922624638383378 Energy: 0.7292737146863866 Energy: 0.6922624638386813 Energy: 0.7292737146860431 Energy: 0.6922624638390248 Energy: 0.7085887367069745 Energy: 0.704549084219642 Energy: 0.7085884865535499 Energy: 0.7045490842199855 Energy: 0.7085887367076614 Energy: 0.704549084219642 Energy: 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======================================== Energy: 0.6592672487294681 Energy: 0.6297588808546808 Energy: 0.659267248728996 Energy: 0.6297588808542088 Energy: 0.6592672487294681 Energy: 0.6297588808537367 Energy: 0.6809516528998923 Energy: 0.7088181152264367 Energy: 0.6809516528998923 Energy: 0.7088181152269087 Energy: 0.6809516529003644 Energy: 0.7088181152264367 Energy: 0.6122454907442808 Energy: 0.7207914878627167 Energy: 0.6122454907438087 Energy: 0.7207914878622445 Energy: 0.6122454907438087 Energy: 0.7207914878622445 Energy: 0.6615115323719793 Energy: 0.6121778744327887 Energy: 0.6615115323724515 Energy: 0.6121778744323165 Energy: 0.6615115323724515 Energy: 0.6121778744323165 Energy: 0.5820613024565545 Energy: 0.6552494112675555 Energy: 0.5820613024570265 Energy: 0.6552494112666114 Energy: 0.5820613024565545 Energy: 0.6552494112661392 Energy: 0.5820476636597528 Energy: 0.6547249545688034 Energy: 0.5820476636597528 Energy: 0.6547249545692755 Energy: 0.5820476636602249 Energy: 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0.6613348207910879 Energy: 0.6121557392472875 Energy: 0.6613348207910879 Energy: 0.6121557392472875 Energy: 0.6123525886927151 Energy: 0.7208405823411067 Energy: 0.6123525886927151 Energy: 0.7208405823406345 Energy: 0.6123525886927151 Energy: 0.7208405823406345 Energy: 0.6808976681517008 Energy: 0.7088351571424167 Energy: 0.6808976681517008 Energy: 0.7088351571428888 Energy: 0.6808976681517008 Energy: 0.7088351571424167 Energy: 0.659267248728996 Energy: 0.6297588808542088 Energy: 0.6592672487294681 Energy: 0.6297588808537367 Energy: 0.659267248728996 Energy: 0.6297588808537367 Energy: 0.6809516529003644 Energy: 0.7088181152259646 Energy: 0.6809516528989481 Energy: 0.7088181152259646 Energy: 0.6809516528998923 Energy: 0.7088181152259646 Energy: 0.6122454907442808 Energy: 0.7207914878627167 Energy: 0.6122454907442808 Energy: 0.7207914878622445 Energy: 0.6122454907438087 Energy: 0.7207914878622445 minimum gb energy = 0.5820476636597528 eV minimum distance = 2.55411432504495 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5873527417568405 Energy: 0.5751910753897159 Energy: 0.5873527417568405 Energy: 0.5751910753885595 Energy: 0.587352741757997 Energy: 0.5751910753885595 Energy: 0.6931321818735305 Energy: 0.640874082692294 Energy: 0.6931321818735305 Energy: 0.6408740826911375 Energy: 0.6931321818735305 Energy: 0.6408740826911375 Energy: 0.6182479345870124 Energy: 0.7108392604989975 Energy: 0.6182479345870124 Energy: 0.7108392604989975 Energy: 0.6182479345870124 Energy: 0.7108392604989975 Energy: 0.7063846449094849 Energy: 0.5577305639998612 Energy: 0.7063846449106415 Energy: 0.5577305639998612 Energy: 0.7063846449106415 Energy: 0.5577305639998612 Energy: 0.7315933403597598 Energy: 0.5586704693113743 Energy: 0.7315933403609162 Energy: 0.5586704693113743 Energy: 0.7315933403609162 Energy: 0.5586704693113743 Energy: 0.6509311878411359 Energy: 0.6732013473467179 Energy: 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0.6835981724171397 Energy: 0.7328034136150725 Energy: 0.6835981724171397 minimum gb energy = 0.5577305639998612 eV minimum distance = 2.5765015432981 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5040679025633489 Energy: 0.5883143675497329 Energy: 0.504067902563024 Energy: 0.5883143675497329 Energy: 0.504067902563024 Energy: 0.5883143675494079 Energy: 0.6822777780303088 Energy: 0.5271954113427187 Energy: 0.6822777780312835 Energy: 0.5271954113423938 Energy: 0.6822777780296588 Energy: 0.5271954113423938 Energy: 0.4903811445827888 Energy: 0.7417271552760017 Energy: 0.49038114458343873 Energy: 0.7417271552753519 Energy: 0.49038114458343873 Energy: 0.7417271552727525 Energy: 0.49410434024805855 Energy: 0.48095411830023543 Energy: 0.49410434024545913 Energy: 0.4809541183005604 Energy: 0.4941043402552072 Energy: 0.4809541183008853 Energy: 0.5657130365634337 Energy: 0.5616075046964979 Energy: 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Energy: 0.4810291288325706 Energy: 0.49339822838541225 Energy: 0.4810291288328956 Energy: 0.5184376371716303 Energy: 0.5238935479591157 Energy: 0.5184376371706554 Energy: 0.5238935479607403 Energy: 0.5184376371709805 Energy: 0.5238935479617152 Energy: 0.5332489511295914 Energy: 0.497768251604363 Energy: 0.5332489511286166 Energy: 0.49776825160533783 Energy: 0.5332489511289414 Energy: 0.4977682516033882 Energy: 0.5047669377985956 Energy: 0.6838971768912361 Energy: 0.5047669377979457 Energy: 0.6838971768912361 Energy: 0.5047669377998952 Energy: 0.683897176892211 Energy: 0.4860754368668396 Energy: 0.5814782774344847 Energy: 0.4860754368678145 Energy: 0.5814782774344847 Energy: 0.4860754368668396 Energy: 0.5814782774338348 Energy: 0.7863325254030765 Energy: 0.4920174604564104 Energy: 0.7863325254027517 Energy: 0.4920174604547857 Energy: 0.7863325254030765 Energy: 0.4920174604554356 Energy: 0.6873265266995274 Energy: 0.6081068023132775 Energy: 0.6873265266992026 Energy: 0.6081068023139273 Energy: 0.6873265266988776 Energy: 0.6081068023116528 Energy: 0.4864744897962551 Energy: 0.5915002609138167 Energy: 0.48647448979690494 Energy: 0.5915002609138167 Energy: 0.48647448979722996 Energy: 0.5915002609141417 Energy: 0.46436035521862046 Energy: 0.6542300206283959 Energy: 0.4643603552192704 Energy: 0.6542300206287208 Energy: 0.4643603552192704 Energy: 0.6542300206290458 Energy: 0.6218265943321795 Energy: 0.5417170876142884 Energy: 0.6218265943299048 Energy: 0.49908042555257986 Energy: 0.6218265943302298 Energy: 0.49908042555225496 Energy: 0.46560563864577353 Energy: 0.6543272212166359 Energy: 0.46560563864577353 Energy: 0.6543272212163109 Energy: 0.46560563864512367 Energy: 0.654327221215986 Energy: 0.48589285694808704 Energy: 0.5880537038308533 Energy: 0.48589285694808704 Energy: 0.5880537038311783 Energy: 0.48589285694711215 Energy: 0.5880537038305284 Energy: 0.687239624519498 Energy: 0.6083239664531852 Energy: 0.6872396245188482 Energy: 0.6083239664535101 Energy: 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0.49429464367978637 Energy: 0.48073088659804153 Energy: 0.49429464368011133 Energy: 0.4807308865986914 Energy: 0.494294643681411 Energy: 0.48073088659934127 Energy: 0.4903778950834525 Energy: 0.7415351671025865 Energy: 0.49037789508280255 Energy: 0.7415351671016116 Energy: 0.49037789508280255 Energy: 0.7415351671009618 Energy: 0.6824991072122626 Energy: 0.5930003859952613 Energy: 0.6824991072132374 Energy: 0.6257447724333675 Energy: 0.6824991072122626 Energy: 0.6257447724336923 Energy: 0.5040679025620491 Energy: 0.5883143675494079 Energy: 0.5040679025623741 Energy: 0.5883143675494079 Energy: 0.504067902562699 Energy: 0.5883143675500578 Energy: 0.682277778028684 Energy: 0.5497928492902897 Energy: 0.682277778029009 Energy: 0.5271954113420688 Energy: 0.6822777780283591 Energy: 0.5497928492902897 Energy: 0.4903811445837637 Energy: 0.7417271552717776 Energy: 0.4903811445831138 Energy: 0.741727155274702 Energy: 0.49038114458343873 Energy: 0.7417271552730773 Energy: 0.4941043402539075 Energy: 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Energy: 0.17757471950155854 Energy: 0.16844452664897896 Energy: 0.17757471950155854 Energy: 0.16844452664897896 Energy: 0.17757471950155854 Energy: 0.16844452664823928 Energy: 0.2528013344949133 Energy: 0.25010407380757604 Energy: 0.252801334495653 Energy: 0.25010407380757604 Energy: 0.2528013344949133 Energy: 0.25010407380757604 Energy: 0.1689361409717042 Energy: 0.656336001055024 Energy: 0.16893614097244386 Energy: 0.656336001055024 Energy: 0.16893614097244386 Energy: 0.656336001055024 Energy: 0.16897072321182302 Energy: 0.6563859184776093 Energy: 0.16897072321182302 Energy: 0.656385918478349 Energy: 0.16897072321182302 Energy: 0.656385918478349 Energy: 0.25285791941399294 Energy: 0.25010075028192696 Energy: 0.25285791941325325 Energy: 0.25010075028044765 Energy: 0.25285791941399294 Energy: 0.2501007502811873 Energy: 0.17759718063032406 Energy: 0.16843323777517594 Energy: 0.17759718063106375 Energy: 0.16843323777591562 Energy: 0.17759718063032406 Energy: 0.16843323777591562 Energy: 0.20135108005705338 Energy: 0.4993602965963541 Energy: 0.20135108005705338 Energy: 0.49936029659709374 Energy: 0.20135108005705338 Energy: 0.49936029659783343 Energy: 0.5717318976596073 Energy: 0.5839675699252788 Energy: 0.5717318976581279 Energy: 0.5839675699252788 Energy: 0.5717318976581279 Energy: 0.5839675699252788 Energy: 0.1709731366557046 Energy: 0.17869017112220598 Energy: 0.1709731366549649 Energy: 0.17869017112368538 Energy: 0.1709731366557046 Energy: 0.17869017112368538 Energy: 0.5716431274839247 Energy: 0.5841774320058108 Energy: 0.5716431274846644 Energy: 0.5841774320058108 Energy: 0.5716431274861438 Energy: 0.5841774320058108 Energy: 0.20144501945661158 Energy: 0.499302667370273 Energy: 0.20144501945587193 Energy: 0.4993026673695334 Energy: 0.20144501945587193 Energy: 0.499302667370273 Energy: 0.17757471950155854 Energy: 0.16844452664897896 Energy: 0.17757471950155854 Energy: 0.16844452664971862 Energy: 0.17757471950155854 Energy: 0.16844452664971862 Energy: 0.252801334495653 Energy: 0.25010407380387767 Energy: 0.2528013344949133 Energy: 0.25010407380387767 Energy: 0.252801334495653 Energy: 0.25010407380387767 Energy: 0.16893614097318357 Energy: 0.656336001055024 Energy: 0.16893614097318357 Energy: 0.656336001055024 Energy: 0.16893614097318357 Energy: 0.656336001055024 Energy: 0.16897072321034368 Energy: 0.656385918478349 Energy: 0.16897072321034368 Energy: 0.6563859184790888 Energy: 0.16897072321108336 Energy: 0.656385918478349 Energy: 0.25285791941399294 Energy: 0.25010075028192696 Energy: 0.25285791941251357 Energy: 0.25010075028192696 Energy: 0.25285791941473257 Energy: 0.25010075028192696 minimum gb energy = 0.16843323777517594 eV minimum distance = 2.77620671473734 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.47706945476124857 Energy: 0.49024435551923123 Energy: 0.47706945476070667 Energy: 0.4902443555186894 Energy: 0.47706945476124857 Energy: 0.49024435551923123 Energy: 0.5565186657105902 Energy: 0.4804631366363557 Energy: 0.5565186657111318 Energy: 0.4804631366358139 Energy: 0.5565186657089647 Energy: 0.48046313663689755 Energy: 0.5574390287911469 Energy: 0.748636667250243 Energy: 0.5574390287916887 Energy: 0.748636667253494 Energy: 0.5574390287906051 Energy: 0.748636667253494 Energy: 0.6115323094669097 Energy: 0.4636751716431393 Energy: 0.6115323094679933 Energy: 0.46367517164368116 Energy: 0.6115323094679933 Energy: 0.46367517164530664 Energy: 0.4856383604392902 Energy: 0.4241744680032823 Energy: 0.4856383604392902 Energy: 0.42417446800274045 Energy: 0.48563836043874836 Energy: 0.42417446800274045 Energy: 0.4835335327720889 Energy: 0.5214278811682465 Energy: 0.48353353276937977 Energy: 0.5214278811687884 Energy: 0.4835335327682961 Energy: 0.5214278811682465 Energy: 0.4508280716151749 Energy: 0.6501615014498447 Energy: 0.4508280716157167 Energy: 0.6501615014487611 Energy: 0.45082807161625854 Energy: 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Energy: 0.8210550497026244 Energy: 0.5859059552224027 Energy: 0.8210550497020825 Energy: 0.5859059552229446 minimum gb energy = 0.3969974147731713 eV minimum distance = 2.6315497885684 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5510572963339241 Energy: 0.4528163279904271 Energy: 0.5510572963343511 Energy: 0.4528163279900001 Energy: 0.5510572963343511 Energy: 0.4528163279900001 Energy: 0.5990017865726395 Energy: 0.5543002334794127 Energy: 0.5990017865722124 Energy: 0.5543002334794127 Energy: 0.5990017865730665 Energy: 0.5543002334798397 Energy: 0.6807387128517732 Energy: 0.8624964598311352 Energy: 0.6807387128517732 Energy: 0.8624964598311352 Energy: 0.6807387128522003 Energy: 0.8624964598311352 Energy: 0.6485283075264292 Energy: 0.4430072136212475 Energy: 0.648528307525575 Energy: 0.44300721362082046 Energy: 0.6485283075260022 Energy: 0.44300721362082046 Energy: 0.4383835276566378 Energy: 0.4776682598851935 Energy: 0.4383835276566378 Energy: 0.4776682598851935 Energy: 0.4383835276562108 Energy: 0.4776682598851935 Energy: 0.567411942238404 Energy: 0.6565171146820012 Energy: 0.567411942238404 Energy: 0.6565171146824283 Energy: 0.5674119422392582 Energy: 0.6565171146824283 Energy: 0.5688977936623603 Energy: 0.6449070472599255 Energy: 0.5688977936623603 Energy: 0.6449070472603526 Energy: 0.5688977936623603 Energy: 0.6449070472599255 Energy: 0.48099762295590626 Energy: 0.4430360376393024 Energy: 0.4809976229567604 Energy: 0.4430360376401565 Energy: 0.4809976229554792 Energy: 0.44303603763972943 Energy: 0.4668704643724919 Energy: 0.4693747249753504 Energy: 0.46687046437291896 Energy: 0.4693747249757774 Energy: 0.46687046437291896 Energy: 0.4693747249757774 Energy: 0.5487368686735716 Energy: 0.666820206856578 Energy: 0.5487368686752798 Energy: 0.666820206857005 Energy: 0.5487368686752798 Energy: 0.666820206856578 Energy: 0.5497807911443274 Energy: 0.6669816695276759 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Energy: 0.44404250666613193 Energy: 0.4760432387661273 Energy: 0.44404250666527784 Energy: 0.5859776728478797 Energy: 0.8125862036842894 Energy: 0.5859776728487338 Energy: 0.8125862036847163 Energy: 0.5859776728483067 Energy: 0.8125862036847163 Energy: 0.6023693621107766 Energy: 0.5537321365094477 Energy: 0.6023693621103496 Energy: 0.5537321365090205 Energy: 0.6023693621103496 Energy: 0.5537321365094477 Energy: 0.5473543939669043 Energy: 0.5213698001403365 Energy: 0.5473543939660502 Energy: 0.5213698001394825 Energy: 0.5473543939673313 Energy: 0.5213698001403365 Energy: 0.4660839023381282 Energy: 0.5971949566799942 Energy: 0.4660839023377012 Energy: 0.5971949566804213 Energy: 0.4660839023381282 Energy: 0.5971949566804213 Energy: 0.6852591625963114 Energy: 0.8277667783775366 Energy: 0.6852591625954572 Energy: 0.8277667783775366 Energy: 0.6852591625967384 Energy: 0.8277667783779636 Energy: 0.6489936492712846 Energy: 0.4423821197726456 Energy: 0.6489936492712846 Energy: 0.4423821197726456 Energy: 0.6489936492708576 Energy: 0.4423821197730725 Energy: 0.43879881993078157 Energy: 0.5595086611552293 Energy: 0.43879881993035447 Energy: 0.5595086611556563 Energy: 0.43879881993078157 Energy: 0.5595086611556563 Energy: 0.432517805543022 Energy: 0.5925128749385403 Energy: 0.432517805543022 Energy: 0.5925128749385403 Energy: 0.432517805543022 Energy: 0.5925128749393944 Energy: 0.5696200473849542 Energy: 0.6772770814161234 Energy: 0.5696200473849542 Energy: 0.6772770814161234 Energy: 0.5696200473849542 Energy: 0.6772770814157159 Energy: 0.47998684758969745 Energy: 0.4423905693283089 Energy: 0.47998684758841625 Energy: 0.4423905693278818 Energy: 0.4799868475888433 Energy: 0.44239056932916293 Energy: 0.4665964564450093 Energy: 0.538099309630944 Energy: 0.4665964564450093 Energy: 0.5380993096305169 Energy: 0.4665964564450093 Energy: 0.5380993096317981 Energy: 0.5488279391817039 Energy: 0.6018599820004719 Energy: 0.5488279391817039 Energy: 0.6018599820004719 Energy: 0.5488279391817039 Energy: 0.6018599820004719 Energy: 0.7147295860866607 Energy: 0.6518274630893776 Energy: 0.7147295860862337 Energy: 0.6518274630889503 Energy: 0.7147295860862337 Energy: 0.6518274630885235 Energy: 0.46432320809509653 Energy: 0.5118750407841212 Energy: 0.4643232080955235 Energy: 0.5118750407836941 Energy: 0.4643232080959506 Energy: 0.5118750407836941 Energy: 0.48225542716893827 Energy: 0.44198237962630654 Energy: 0.48225542716893827 Energy: 0.44198237962545245 Energy: 0.48225542716893827 Energy: 0.44198237962587955 Energy: 0.4341374425615919 Energy: 0.5412091672094905 Energy: 0.43413744256201897 Energy: 0.5412091672099175 Energy: 0.4341374425615919 Energy: 0.5412091672090633 minimum gb energy = 0.4323979754274623 eV minimum distance = 2.59045521720477 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.48273903703373783 Energy: 0.47097774629923606 Energy: 0.4827390370331384 Energy: 0.4709777462998354 Energy: 0.4827390370328387 Energy: 0.47097774629953576 Energy: 0.7832193240639986 Energy: 0.47606027707349435 Energy: 0.7832193240639986 Energy: 0.47606027707439347 Energy: 0.7832193240645979 Energy: 0.47606027707319465 Energy: 0.7154677501487224 Energy: 0.7241980716014831 Energy: 0.7154677501478232 Energy: 0.7241980715945898 Energy: 0.7154677501493217 Energy: 0.7241980715993851 Energy: 0.6661750833534736 Energy: 0.45747976371670357 Energy: 0.6661750833537733 Energy: 0.4574797637170033 Energy: 0.6661750833543727 Energy: 0.45747976371820215 Energy: 0.46296839024467357 Energy: 0.7038945677800269 Energy: 0.4629683902449733 Energy: 0.7038945677806262 Energy: 0.462968390245273 Energy: 0.7038945677803266 Energy: 0.665444819877458 Energy: 0.5048964128827709 Energy: 0.6654448198801554 Energy: 0.5048964128821715 Energy: 0.6654448198786569 Energy: 0.5048964128827709 Energy: 0.6634296264447322 Energy: 0.7074049206751151 Energy: 0.663429626442934 Energy: 0.7074049206748154 Energy: 0.6634296264438332 Energy: 0.7074049206751151 Energy: 0.6485415483859053 Energy: 0.6215898200757062 Energy: 0.6485415483853059 Energy: 0.6215898200757062 Energy: 0.6485415483859053 Energy: 0.6215898200760059 Energy: 0.7093698925992455 Energy: 0.5037865300560134 Energy: 0.7093698925995453 Energy: 0.5037865300554139 Energy: 0.7093698926013436 Energy: 0.503786530056313 Energy: 0.6847095288035886 Energy: 0.5278552147523823 Energy: 0.6847095288047875 Energy: 0.5278552147538808 Energy: 0.6847095288077846 Energy: 0.5278552147523823 Energy: 0.6487537262719105 Energy: 0.6487338035990197 Energy: 0.6487537262716109 Energy: 0.6487338035981206 Energy: 0.6487537262722102 Energy: 0.6487338035990197 Energy: 0.7089329832822864 Energy: 0.4634882190221357 Energy: 0.7089329832822864 Energy: 0.4634882190230349 Energy: 0.708932983281687 Energy: 0.4634882190233346 Energy: 0.5057238868603123 Energy: 0.7103151321895014 Energy: 0.5057238868597129 Energy: 0.7103151321895014 Energy: 0.5057238868606121 Energy: 0.7103151321892016 Energy: 0.6213527599188651 Energy: 0.6500459599547909 Energy: 0.621352759920064 Energy: 0.6500459599547909 Energy: 0.6213527599203637 Energy: 0.6500459599538917 Energy: 0.7347973271452846 Energy: 0.6616605314249745 Energy: 0.7347973271446853 Energy: 0.6616605314249745 Energy: 0.7347973271446853 Energy: 0.6616605314252743 Energy: 0.5046535546942456 Energy: 0.6665746212132673 Energy: 0.5046535546945453 Energy: 0.6665746212129676 Energy: 0.5046535546939458 Energy: 0.666574621213567 Energy: 0.7088402103110545 Energy: 0.46395301386271154 Energy: 0.7088402103098558 Energy: 0.46395301386271154 Energy: 0.7088402103107548 Energy: 0.4639530138624117 Energy: 0.4605806445707065 Energy: 0.7872682391712823 Energy: 0.46058064456950765 Energy: 0.7872682391712823 Energy: 0.4605806445704068 Energy: 0.7872682391715818 Energy: 0.6844731053518754 Energy: 0.7149820880390662 Energy: 0.6844731053548725 Energy: 0.7149820880387664 Energy: 0.6844731053530743 Energy: 0.7149820880396655 Energy: 0.7054471776052385 Energy: 0.507333117470128 Energy: 0.7054471776055381 Energy: 0.5073331174704276 Energy: 0.7054471776046388 Energy: 0.5073331174698282 Energy: 0.4719821804682054 Energy: 0.48324456575082325 Energy: 0.47198218047120255 Energy: 0.48324456574962443 Energy: 0.47198218046730633 Energy: 0.48324456574992414 Energy: 0.4725250859530938 Energy: 0.7844900682916419 Energy: 0.4725250859527941 Energy: 0.7844900682913423 Energy: 0.4725250859524944 Energy: 0.7844900682910426 Energy: 0.9019075138852164 Energy: 0.6238890134872087 Energy: 0.9019075138855162 Energy: 0.623889013486909 Energy: 0.9019075138861155 Energy: 0.6238890134860099 Energy: 0.4666661699871693 Energy: 0.6653200359604832 Energy: 0.46666616998656996 Energy: 0.6653200359610827 Energy: 0.46666616998686966 Energy: 0.6653200359601835 Energy: 0.7054957640199978 Energy: 0.463991216250085 Energy: 0.7054957640208971 Energy: 0.463991216250085 Energy: 0.7054957640205973 Energy: 0.46399121625068435 Energy: 0.5045822832523815 Energy: 0.6275523509277167 Energy: 0.5045822832544523 Energy: 0.6275523509265178 Energy: 0.5045822832532535 Energy: 0.6275523509274169 Energy: 0.7849218111712595 Energy: 0.6610279764073376 Energy: 0.7849218111712595 Energy: 0.661027976406738 Energy: 0.7849218111703603 Energy: 0.6610279764082367 Energy: 0.4852577676527963 Energy: 0.4741048870426743 Energy: 0.4852577676527963 Energy: 0.47410488703907777 Energy: 0.48525776765189715 Energy: 0.47410488704147546 Energy: 0.5065701447763635 Energy: 0.7046058632535368 Energy: 0.5065701447769628 Energy: 0.7046058632550081 Energy: 0.5065701447763635 Energy: 0.7046058632547084 Energy: 0.5273687328204941 Energy: 0.6833069615581012 Energy: 0.527368732819595 Energy: 0.6833069615649946 Energy: 0.527368732819595 Energy: 0.6833069615610984 Energy: 0.7024647686053174 Energy: 0.4570422966825002 Energy: 0.7024647686050176 Energy: 0.45704229668457086 Energy: 0.7024647686053174 Energy: 0.45704229668309954 Energy: 0.4666293279975409 Energy: 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0.702383095266941 Energy: 0.4570003522567587 Energy: 0.7023830952672406 Energy: 0.4570003522576579 Energy: 0.5273888529949454 Energy: 0.6839770072017731 Energy: 0.5273888529961442 Energy: 0.6839770072026723 Energy: 0.5273888529949454 Energy: 0.6839770071993755 Energy: 0.5068014590377339 Energy: 0.7045653909726992 Energy: 0.5068014590374341 Energy: 0.7045653909718 Energy: 0.5068014590374341 Energy: 0.7045653909715005 Energy: 0.48517506670077715 Energy: 0.47455264261180435 Energy: 0.48517506670107685 Energy: 0.4745526426106055 Energy: 0.48517506670107685 Energy: 0.4745526426115046 Energy: 0.7849127274175156 Energy: 0.6609947830336578 Energy: 0.7849127274178154 Energy: 0.6609947830342573 Energy: 0.7849127274175156 Energy: 0.6609947830345568 Energy: 0.504686466322418 Energy: 0.6300419515615873 Energy: 0.5046864663203199 Energy: 0.6300419515594893 Energy: 0.5046864663203199 Energy: 0.6300419515630858 Energy: 0.7054382435244597 Energy: 0.4639932591725994 Energy: 0.7054382435256586 Energy: 0.4639932591717003 Energy: 0.7054382435247594 Energy: 0.4639932591717003 Energy: 0.46648087487150985 Energy: 0.665216482018097 Energy: 0.4664808748718096 Energy: 0.6652164820189962 Energy: 0.4664808748730083 Energy: 0.6652164820189962 Energy: 0.902102020322144 Energy: 0.6239105730403957 Energy: 0.9021020203227436 Energy: 0.6239105730397962 Energy: 0.9021020203242419 Energy: 0.6239105730397962 Energy: 0.47256022825831956 Energy: 0.7839687368415301 Energy: 0.4725602282595184 Energy: 0.7839687368412305 Energy: 0.4725602282598181 Energy: 0.7839687368424294 minimum gb energy = 0.4570003522567587 eV minimum distance = 2.61917000530684 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.475465526567783 Energy: 0.4752466699165625 Energy: 0.475465526567783 Energy: 0.47524666991676734 Energy: 0.475465526567783 Energy: 0.47524666991697223 Energy: 0.44028076491923457 Energy: 0.4484693181792808 Energy: 0.44028076491923457 Energy: 0.4484693181794857 Energy: 0.44028076491923457 Energy: 0.44846931817969055 Energy: 0.44656412762914577 Energy: 1.0158301720055434 Energy: 0.4465641276029239 Energy: 1.015830172005748 Energy: 0.7041968545433755 Energy: 1.015830172005748 Energy: 0.44043955927874745 Energy: 0.44848711401454083 Energy: 0.44043955927874745 Energy: 0.44848711401474567 Energy: 0.4404395592785426 Energy: 0.44848711401474567 Energy: 0.475465526567783 Energy: 0.4752466699161756 Energy: 0.4754655265673733 Energy: 0.4752466699159707 Energy: 0.475465526567783 Energy: 0.4752466699163804 Energy: 0.4402807649184151 Energy: 0.4484693181800775 Energy: 0.4402807649188248 Energy: 0.44846931817969055 Energy: 0.4402807649184151 Energy: 0.4484693181794857 Energy: 0.4462245506750275 Energy: 1.0158301720053386 Energy: 0.44622455067561934 Energy: 1.0158301720053386 Energy: 0.44622455067520966 Energy: 1.0158301720055434 minimum gb energy = 0.4402807649184151 eV minimum distance = 2.61501314064159 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.7646904446777542 Energy: 0.6165582922355063 Energy: 0.7646904446788445 Energy: 0.616558292236349 Energy: 0.7646904446780018 Energy: 0.6165582922365967 Energy: 0.7020458384202293 Energy: 0.6305359103739089 Energy: 0.7020458384196843 Energy: 0.6305359103747019 Energy: 0.7020458384196843 Energy: 0.6305359103739089 Energy: 0.6106245048801155 Energy: 0.8485855940835265 Energy: 0.6106245048798677 Energy: 0.8485855940835265 Energy: 0.6106245048801155 Energy: 0.8485855940832291 Energy: 0.7164849445571712 Energy: 0.634674652503712 Energy: 0.716484944556626 Energy: 0.6346746525026217 Energy: 0.7164849445571712 Energy: 0.6346746525042571 Energy: 0.6684015432127005 Energy: 0.672728426671681 Energy: 0.6684015432129979 Energy: 0.6727284266730191 Energy: 0.6684015432121553 Energy: 0.6727284266719288 Energy: 0.6303072817446406 Energy: 0.7548424382151089 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Energy: 0.6142972823152593 Energy: 0.68929215069029 Energy: 0.6142972823152593 Energy: 0.6120231815326166 Energy: 0.6734974488923591 Energy: 0.6120231815312289 Energy: 0.6734974488932016 Energy: 0.6120231815326166 Energy: 0.6734974488929043 Energy: 0.6589137518362038 Energy: 0.7709020707671428 Energy: 0.6589137518369967 Energy: 0.7709020707665976 Energy: 0.6589137518364516 Energy: 0.7709020707676878 Energy: 0.8506591637952593 Energy: 0.7263819346019198 Energy: 0.8506591637955567 Energy: 0.7263819346008294 Energy: 0.8506591637955567 Energy: 0.7263819346019198 Energy: 0.8091887458641198 Energy: 0.6173668303734433 Energy: 0.8091887458649625 Energy: 0.6173668303736911 Energy: 0.8091887458646652 Energy: 0.6173668303720556 Energy: 0.679399820880587 Energy: 0.6772931609803655 Energy: 0.6793998208814296 Energy: 0.6772931609798203 Energy: 0.679399820880587 Energy: 0.677293160981208 Energy: 0.6661608661117863 Energy: 0.8159986062721857 Energy: 0.6661608661117863 Energy: 0.8159986062718882 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Energy: 0.6623012538919808 Energy: 0.6442435973421723 Energy: 0.662301253891733 Energy: 0.6442435973427175 Energy: 0.6623012538928233 Energy: 0.8469108953991643 Energy: 0.6109824633359704 Energy: 0.8469108953989166 Energy: 0.6109824633357226 Energy: 0.846910895397281 Energy: 0.6109824633359704 Energy: 0.6180184884627725 Energy: 0.8010879216223971 Energy: 0.6180184884635656 Energy: 0.8010879216221493 Energy: 0.6180184884641107 Energy: 0.8010879216226945 Energy: 0.6756016894611913 Energy: 0.7462017271731226 Energy: 0.6756016894609435 Energy: 0.7462017271731226 Energy: 0.6756016894611913 Energy: 0.7462017271733704 Energy: 0.6698848233806936 Energy: 0.6793440663552911 Energy: 0.6698848233820812 Energy: 0.6793440663558362 Energy: 0.669884823382329 Energy: 0.6793440663574718 Energy: 0.8258799460131736 Energy: 0.604380286966269 Energy: 0.825879946014016 Energy: 0.6043802869659717 Energy: 0.8258799460126284 Energy: 0.6043802869670619 Energy: 0.6348114294910508 Energy: 0.8228983173691868 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0.7247821317983859 minimum gb energy = 0.5813740019568377 eV minimum distance = 2.62390149566856 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7077180488528708 Energy: 0.541941839075514 Energy: 0.7077180488528708 Energy: 0.5419418390761089 Energy: 0.7077180488528708 Energy: 0.5419418390767039 Energy: 0.6443273459389933 Energy: 0.6246599609187848 Energy: 0.6443273459389933 Energy: 0.6246599609187848 Energy: 0.6443273459383982 Energy: 0.6246599609193799 Energy: 0.6112730379403603 Energy: 0.7529353261593346 Energy: 0.6112730379433353 Energy: 0.7529353261593346 Energy: 0.6112730379415503 Energy: 0.7529353261599296 Energy: 0.8466610500918235 Energy: 0.7156767222736782 Energy: 0.8466610500918235 Energy: 0.715676722272488 Energy: 0.8466610500924184 Energy: 0.7156767222730831 Energy: 0.756443225561505 Energy: 0.6842984836736907 Energy: 0.756443225561505 Energy: 0.6842984836736907 Energy: 0.756443225561505 Energy: 0.6842984836754757 Energy: 0.6154265808296832 Energy: 0.6249632864047746 Energy: 0.6154265808296832 Energy: 0.6249632864047746 Energy: 0.6154265808291153 Energy: 0.6249632864035847 Energy: 0.698613756566449 Energy: 0.6641942194865843 Energy: 0.698613756567044 Energy: 0.6641942194871793 Energy: 0.698613756566449 Energy: 0.6641942194877742 Energy: 0.7599468237670897 Energy: 0.6042919943104995 Energy: 0.7599468237676846 Energy: 0.6042919943104995 Energy: 0.7599468237664946 Energy: 0.6042919943104995 Energy: 0.6707951984646603 Energy: 0.6237038230341463 Energy: 0.6707951984640654 Energy: 0.6237038230353363 Energy: 0.6707951984646603 Energy: 0.6237038230341463 Energy: 0.6598815506178111 Energy: 0.5734023781500331 Energy: 0.6598815506160263 Energy: 0.5734023781500331 Energy: 0.6598815506160263 Energy: 0.5734023781506282 Energy: 0.6041106203682902 Energy: 0.710388353218556 Energy: 0.6041106203682902 Energy: 0.710388353219151 Energy: 0.6041106203676951 Energy: 0.710388353219151 Energy: 0.6982841705925479 Energy: 0.6900059144323678 Energy: 0.6982841705925479 Energy: 0.6900059144323678 Energy: 0.6982841705931431 Energy: 0.6900059144329629 Energy: 0.5829100797876849 Energy: 0.6236918908354792 Energy: 0.5829100797882799 Energy: 0.6236918908360742 Energy: 0.5829100797882799 Energy: 0.6236918908354792 Energy: 0.7088783648025306 Energy: 0.6076278521949248 Energy: 0.7088783648019357 Energy: 0.6076278521961148 Energy: 0.7088783648007455 Energy: 0.60762785219552 Energy: 0.7074117471563497 Energy: 0.6052619147737488 Energy: 0.7074117471557546 Energy: 0.6052619147731538 Energy: 0.7074117471569447 Energy: 0.6052619147731538 Energy: 0.7227767835447285 Energy: 0.6989763119369574 Energy: 0.7227767835435386 Energy: 0.6989763119363624 Energy: 0.7227767835435386 Energy: 0.6989763119369574 Energy: 0.5020177696209532 Energy: 0.5565699843954086 Energy: 0.5020177696209532 Energy: 0.5565699843965985 Energy: 0.5020177696203583 Energy: 0.5565699843954086 Energy: 0.5972915922071923 Energy: 0.5771534474451778 Energy: 0.5972915922083822 Energy: 0.5771534474457728 Energy: 0.5972915922089773 Energy: 0.5771534474445827 Energy: 0.5024303456042295 Energy: 0.5566039730158233 Energy: 0.5024303456036343 Energy: 0.5566039730152285 Energy: 0.5024303456042295 Energy: 0.5566039730152285 Energy: 0.6976687716253945 Energy: 0.6989757743200211 Energy: 0.6976687716253945 Energy: 0.6989757743200211 Energy: 0.6976687716242046 Energy: 0.6989757743206161 Energy: 0.7034944655734864 Energy: 0.6052708822592264 Energy: 0.7034944655734864 Energy: 0.6052708822598214 Energy: 0.7034944655728914 Energy: 0.6052708822592264 Energy: 0.70877619627943 Energy: 0.6587161994851483 Energy: 0.7087761962800252 Energy: 0.6587161994857432 Energy: 0.7087761962776452 Energy: 0.6587161994857432 Energy: 0.5829508928088607 Energy: 0.6240320744528964 Energy: 0.5829508928094559 Energy: 0.6240320744528964 Energy: 0.5829508928100507 Energy: 0.6240320744523015 Energy: 0.698218565944435 Energy: 0.6900789768814224 Energy: 0.698218565944435 Energy: 0.6900789768802323 Energy: 0.698218565944435 Energy: 0.6900789768808273 minimum gb energy = 0.5020177696203583 eV minimum distance = 2.60038643502996 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.751557026736058 Energy: 0.5286880381331789 Energy: 0.751557026736058 Energy: 0.5286880381331789 Energy: 0.7515570267368993 Energy: 0.5286880381331789 Energy: 0.6015444530402888 Energy: 0.6110740451961526 Energy: 0.6015444530402888 Energy: 0.6110740451969939 Energy: 0.6015444530402888 Energy: 0.6110740451961526 Energy: 0.5829485369068717 Energy: 0.6498878913312212 Energy: 0.5829485369068717 Energy: 0.6498878913312212 Energy: 0.5829485369068717 Energy: 0.6498878913312212 Energy: 0.6916869330873967 Energy: 0.6501050753248517 Energy: 0.6916869330873967 Energy: 0.6501050753248517 Energy: 0.6916869330873967 Energy: 0.6501050753248517 Energy: 0.6701507524272239 Energy: 0.6566846265257775 Energy: 0.6701507524272239 Energy: 0.6566846265257775 Energy: 0.6701507524280653 Energy: 0.656684626526619 Energy: 0.6279441958499877 Energy: 0.6031339028790657 Energy: 0.6279441958499877 Energy: 0.6031339028790657 Energy: 0.6279441958508291 Energy: 0.6031339028790657 Energy: 0.5852089875485565 Energy: 0.6001239024185984 Energy: 0.585208987547715 Energy: 0.6001239024177569 Energy: 0.585208987547715 Energy: 0.6001239024185984 Energy: 0.6830124016781365 Energy: 0.6480576266175885 Energy: 0.6830124016781365 Energy: 0.6480576266175885 Energy: 0.6830124016781365 Energy: 0.6480576266184299 Energy: 0.5338950102579291 Energy: 0.6800517740762391 Energy: 0.5338950102570877 Energy: 0.6800517740762391 Energy: 0.5338950102570877 Energy: 0.6800517740762391 Energy: 0.6201226600346695 Energy: 0.6179600943458037 Energy: 0.6201226600355111 Energy: 0.6179600943466452 Energy: 0.6201226600346695 Energy: 0.6179600943466452 Energy: 0.6770066339330864 Energy: 0.6059908607456208 Energy: 0.6770066339339277 Energy: 0.6059908607456208 Energy: 0.6770066339330864 Energy: 0.6059908607456208 Energy: 0.6419657903158661 Energy: 0.6856674766536255 Energy: 0.6419657903167075 Energy: 0.6856674766536255 Energy: 0.6419657903167075 Energy: 0.6856674766536255 Energy: 0.5634824214089199 Energy: 0.684565600565683 Energy: 0.5634824214089199 Energy: 0.6845656005665245 Energy: 0.5634824214089199 Energy: 0.6845656005665245 Energy: 0.5242898827375119 Energy: 0.5547870390709856 Energy: 0.5242898827375119 Energy: 0.554787039071827 Energy: 0.5242898827375119 Energy: 0.554787039071827 Energy: 0.670417895731438 Energy: 0.6921905075105609 Energy: 0.670417895731438 Energy: 0.6921905075105609 Energy: 0.670417895731438 Energy: 0.6921905075105609 Energy: 0.6306516663783238 Energy: 0.7820207145124936 Energy: 0.6306516663791654 Energy: 0.7820207145133351 Energy: 0.6306516663791654 Energy: 0.7820207145124936 Energy: 0.5232586860530487 Energy: 0.5544655350523259 Energy: 0.5232586860530487 Energy: 0.5544655350523259 Energy: 0.5232586860530487 Energy: 0.5544655350523259 minimum gb energy = 0.5232586860530487 eV minimum distance = 2.63610201963623 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.709703027077139 Energy: 0.49806147228216735 Energy: 0.7097030270777888 Energy: 0.49806147228216735 Energy: 0.7097030270777888 Energy: 0.49806147228216735 Energy: 0.5876447542577669 Energy: 0.5599553400796502 Energy: 0.5876447542577669 Energy: 0.5599553400777005 Energy: 0.5876447542577669 Energy: 0.5599553400793253 Energy: 0.5178165648027365 Energy: 0.5627212917046195 Energy: 0.5178165648027365 Energy: 0.5627212917046195 Energy: 0.5178165648027365 Energy: 0.5627212917042945 Energy: 0.6577265177443034 Energy: 0.5280480717085043 Energy: 0.6577265177446283 Energy: 0.5280480717088293 Energy: 0.6577265177446283 Energy: 0.5280480717068796 Energy: 0.7000929508120965 Energy: 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0.49880402785039346 Energy: 0.47925685548605357 Energy: 0.49880402785039346 Energy: 0.5837864116439204 Energy: 0.646811648937566 Energy: 0.5837864116445702 Energy: 0.6468116489372411 Energy: 0.5837864116442453 Energy: 0.646811648937566 Energy: 0.6067216221833883 Energy: 0.7041066828741978 Energy: 0.6067216221827384 Energy: 0.7041066828745226 Energy: 0.6067216221824134 Energy: 0.7041066828745226 Energy: 0.4787716385756879 Energy: 0.5380462414325079 Energy: 0.4787716385756879 Energy: 0.5014186589061848 Energy: 0.4787716385756879 Energy: 0.5014186589078095 Energy: 0.6066676236213275 Energy: 0.704288237279585 Energy: 0.6066676236223023 Energy: 0.704288237278935 Energy: 0.6066676236216524 Energy: 0.7042882372786102 Energy: 0.582441760477905 Energy: 0.6469820398052444 Energy: 0.582441760477255 Energy: 0.6469820398065441 Energy: 0.582441760477905 Energy: 0.6469820398058943 Energy: 0.4792931263486029 Energy: 0.498619889468517 Energy: 0.47929312633787996 Energy: 0.4986198894675421 Energy: 0.4792931263476281 Energy: 0.498619889468192 Energy: 0.5654472634843375 Energy: 0.6587687095556375 Energy: 0.5654472634843375 Energy: 0.6587687095562874 Energy: 0.5654472634836877 Energy: 0.6587687095556375 Energy: 0.5944052741486876 Energy: 0.6597409862377546 Energy: 0.5944052741496625 Energy: 0.6597409862371342 Energy: 0.5944052741483626 Energy: 0.6597409862374296 Energy: 0.6543360479839605 Energy: 0.558767815994383 Energy: 0.6543360479833106 Energy: 0.558767815993733 Energy: 0.6543360479833106 Energy: 0.558767815994383 Energy: 0.5815231939352868 Energy: 0.5648088516749488 Energy: 0.5815231939362616 Energy: 0.5648088516713744 Energy: 0.5815231939362616 Energy: 0.5648088516752736 Energy: 0.519472350286942 Energy: 0.6557209634156437 Energy: 0.5194723502859967 Energy: 0.6557209634156437 Energy: 0.5194723502866171 Energy: 0.6557209634166186 Energy: 0.672566410835961 Energy: 0.6071599857932712 Energy: 0.672566410835961 Energy: 0.6071599857926213 Energy: 0.6725664108356361 Energy: 0.6071599857926213 Energy: 0.5683667028421931 Energy: 0.510249809180165 Energy: 0.5683667028408934 Energy: 0.5102498091795151 Energy: 0.5683667028408934 Energy: 0.510249809180165 Energy: 0.5773782774278209 Energy: 0.6183238971478343 Energy: 0.5773782774274959 Energy: 0.6183238971471844 Energy: 0.5773782774281457 Energy: 0.6183238971465346 Energy: 0.6953483218992511 Energy: 0.6189756642441715 Energy: 0.695348321898926 Energy: 0.6189756642431966 Energy: 0.6953483218992511 Energy: 0.6189756642438465 Energy: 0.579626976199313 Energy: 0.564213761875512 Energy: 0.5796269762022374 Energy: 0.5642137618758368 Energy: 0.5796269761996379 Energy: 0.564213761874862 Energy: 0.4992016353095611 Energy: 0.5610708685273591 Energy: 0.49920163530923617 Energy: 0.5610708685280089 Energy: 0.49920163530891115 Energy: 0.5610708685289837 Energy: 0.7002545792138144 Energy: 0.5895930661588961 Energy: 0.7002545792131646 Energy: 0.5895930661579212 Energy: 0.7002545792141395 Energy: 0.5895930661588961 Energy: 0.6578765957930552 Energy: 0.57946767044723 Energy: 0.6578765957930552 Energy: 0.579467670447555 Energy: 0.657876595793705 Energy: 0.579467670447555 Energy: 0.5179344749040777 Energy: 0.5624265864640243 Energy: 0.5179344749050525 Energy: 0.5624265864633745 Energy: 0.5179344749044026 Energy: 0.5624265864640243 Energy: 0.5876910790626847 Energy: 0.5598363479212713 Energy: 0.5876910790623597 Energy: 0.5598363479215963 Energy: 0.5876910790626847 Energy: 0.5598363479219213 Energy: 0.7097030270774639 Energy: 0.4980614722828173 Energy: 0.709703027077139 Energy: 0.49806147228216735 Energy: 0.7097030270774639 Energy: 0.4980614722831422 Energy: 0.5876447542584168 Energy: 0.5688254359458317 Energy: 0.5876447542587417 Energy: 0.568825435948756 Energy: 0.5876447542580919 Energy: 0.5688254359474564 Energy: 0.5178165648030614 Energy: 0.5627212917042945 Energy: 0.5178165648033863 Energy: 0.5627212917065691 Energy: 0.5178165648030614 Energy: 0.5627212917055943 Energy: 0.6577265177452782 Energy: 0.5113041849176488 Energy: 0.6577265177452782 Energy: 0.511304184916674 Energy: 0.6577265177456031 Energy: 0.5113041849169989 Energy: 0.7000929508114466 Energy: 0.5894865493635618 Energy: 0.7000929508114466 Energy: 0.5894865493645366 Energy: 0.7000929508120965 Energy: 0.5894865493635618 minimum gb energy = 0.4787716385756879 eV minimum distance = 2.61239379395082 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6808188863917536 Energy: 0.4605235813420821 Energy: 0.6808188863917536 Energy: 0.460523581341553 Energy: 0.6808188863922826 Energy: 0.4605235813420821 Energy: 0.5361316808705465 Energy: 0.5354921314869405 Energy: 0.5361316808705465 Energy: 0.5354921314869405 Energy: 0.5361316808710755 Energy: 0.5354921314869405 Energy: 0.5008663227384021 Energy: 0.5327290118195234 Energy: 0.5008663227384021 Energy: 0.5327290118195234 Energy: 0.5008663227384021 Energy: 0.5327290118195234 Energy: 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0.5173677401373602 Energy: 0.5206285431908391 Energy: 0.5173677401378892 Energy: 0.5206285431881936 Energy: 0.5173677401373602 Energy: 0.5988823041680381 Energy: 0.5792748092462351 Energy: 0.598882304167509 Energy: 0.5792748092467641 Energy: 0.598882304167509 Energy: 0.5792748092462351 Energy: 0.47951260374619253 Energy: 0.6154785915027039 Energy: 0.47951260374566346 Energy: 0.6154785915016457 Energy: 0.47951260374619253 Energy: 0.6154785915027039 Energy: 0.5215717352467906 Energy: 0.5050628246314584 Energy: 0.5215717352467906 Energy: 0.5050628246309292 Energy: 0.5215717352489069 Energy: 0.5050628246309292 Energy: 0.6249619776707032 Energy: 0.5430706725020807 Energy: 0.624961977669645 Energy: 0.5430706725031388 Energy: 0.624961977669645 Energy: 0.5430706725031388 Energy: 0.4981717543414345 Energy: 0.6261300353324668 Energy: 0.4981717543414345 Energy: 0.6261300353319378 Energy: 0.4981717543430218 Energy: 0.6261300353319378 Energy: 0.5761914559817646 Energy: 0.5501782068897632 Energy: 0.5761914559817646 Energy: 0.5501782068902441 Energy: 0.5761914559817646 Energy: 0.550178206889234 Energy: 0.6103742172873243 Energy: 0.539120084433296 Energy: 0.6103742172867954 Energy: 0.5391200844338251 Energy: 0.6103742172862663 Energy: 0.5391200844338251 Energy: 0.5565029250269502 Energy: 0.6396289345646297 Energy: 0.556502925025892 Energy: 0.6396289345635716 Energy: 0.556502925025892 Energy: 0.6396289345646297 Energy: 0.5288981739087988 Energy: 0.5890939057634047 Energy: 0.5288981739082697 Energy: 0.5890939057634047 Energy: 0.5288981739072115 Energy: 0.5890939057634047 Energy: 0.607235271111123 Energy: 0.4881394128756345 Energy: 0.6072352711105938 Energy: 0.4881394128751054 Energy: 0.6072352711116521 Energy: 0.4881394128761636 Energy: 0.533426772384635 Energy: 0.6112704519828968 Energy: 0.5334267723835768 Energy: 0.6112704519828968 Energy: 0.533426772384635 Energy: 0.6112704519823677 Energy: 0.538269834994292 Energy: 0.656114755016852 Energy: 0.5382698349958793 Energy: 0.656114755016323 Energy: 0.538269834993763 Energy: 0.6561147550173811 Energy: 0.46371303696765526 Energy: 0.46006034285218106 Energy: 0.4637130369681844 Energy: 0.46006034285271014 Energy: 0.4637130369708298 Energy: 0.46006034285271014 Energy: 0.5240936862729334 Energy: 0.6669155055379964 Energy: 0.5240936862708172 Energy: 0.6669155055385254 Energy: 0.5240936862708172 Energy: 0.6669155055385254 Energy: 0.5762938899086764 Energy: 0.6145786319558193 Energy: 0.5762938899086764 Energy: 0.6145786319558193 Energy: 0.5762938899081473 Energy: 0.6145786319558193 Energy: 0.5924704888117173 Energy: 0.46064364740993397 Energy: 0.5924704888127754 Energy: 0.46064364740993397 Energy: 0.5924704888127754 Energy: 0.46064364741046304 Energy: 0.4928838039220245 Energy: 0.5831179059481632 Energy: 0.4928838039236118 Energy: 0.583117905947634 Energy: 0.4928838039225536 Energy: 0.5831179059481632 minimum gb energy = 0.46006034285218106 eV minimum distance = 2.63095356436504 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.6321437366916136 Energy: 0.4262332711206728 Energy: 0.6321437366912283 Energy: 0.4262332711210582 Energy: 0.6321437366916136 Energy: 0.4262332711210582 Energy: 0.46941046954640875 Energy: 0.4722955684419428 Energy: 0.46941046954679433 Energy: 0.4722955684419428 Energy: 0.46941046954679433 Energy: 0.47229556844232834 Energy: 0.445571958302665 Energy: 0.473601989360094 Energy: 0.44557195830382146 Energy: 0.4736019893589376 Energy: 0.44557195830382146 Energy: 0.47360198935932313 Energy: 0.5923730404410045 Energy: 0.4331794037970185 Energy: 0.5923730404410045 Energy: 0.43317940379740405 Energy: 0.59237304044139 Energy: 0.43317940379663306 Energy: 0.5469753197987103 Energy: 0.46177630114542767 Energy: 0.5469753197987103 Energy: 0.4617763011446566 Energy: 0.5469753197983249 Energy: 0.4617763011446566 Energy: 0.4171504146097281 Energy: 0.45254823668699107 Energy: 0.41715041460895713 Energy: 0.4525482366858346 Energy: 0.4171504146093426 Energy: 0.4525482366858346 Energy: 0.5629011519674937 Energy: 0.4516266800886717 Energy: 0.5629011519682647 Energy: 0.45162668008828616 Energy: 0.5629011519674937 Energy: 0.4516266800886717 Energy: 0.557858526174538 Energy: 0.5184906882480814 Energy: 0.557858526174538 Energy: 0.5184906882488524 Energy: 0.5578585261733816 Energy: 0.5184906882480814 Energy: 0.39965654401056366 Energy: 0.4536851156601918 Energy: 0.39965654401017814 Energy: 0.4536851156598064 Energy: 0.39965654401017814 Energy: 0.45368511566096287 Energy: 0.5768677863500914 Energy: 0.4403292021617072 Energy: 0.5768677863500914 Energy: 0.4403292021617072 Energy: 0.5768677863504768 Energy: 0.4403292021617072 Energy: 0.5171160806880147 Energy: 0.5192929854988976 Energy: 0.5171160806884003 Energy: 0.5192929854988976 Energy: 0.5171160806880147 Energy: 0.5192929854988976 Energy: 0.4675529242979756 Energy: 0.5224441556385809 Energy: 0.4675529242972046 Energy: 0.5224441556385809 Energy: 0.4675529242972046 Energy: 0.5224441556389664 Energy: 0.4639866807286349 Energy: 0.44289502861443997 Energy: 0.46398668072670746 Energy: 0.44289502861405455 Energy: 0.4639866807286349 Energy: 0.44289502861443997 Energy: 0.5346984647237318 Energy: 0.5800293726914503 Energy: 0.5346984647241174 Energy: 0.5800293726914503 Energy: 0.5346984647229609 Energy: 0.5800293726918359 Energy: 0.4409933439553843 Energy: 0.5130615767979416 Energy: 0.4409933439561553 Energy: 0.5130615767994836 Energy: 0.4409933439561553 Energy: 0.5130615767979416 Energy: 0.46333303591651404 Energy: 0.4132212461157095 Energy: 0.4633330359207544 Energy: 0.41322124611609495 Energy: 0.4633330359211399 Energy: 0.4132212461157095 Energy: 0.5393419200782853 Energy: 0.5432246762020861 Energy: 0.5393419200778997 Energy: 0.5432246762024716 Energy: 0.5393419200778997 Energy: 0.5432246762024716 Energy: 0.4157852677240007 Energy: 0.5280934978483198 Energy: 0.4157852677240007 Energy: 0.5280934978479344 Energy: 0.41578526772477165 Energy: 0.5280934978479344 Energy: 0.4608364871986508 Energy: 0.44535893926907455 Energy: 0.4608364871986508 Energy: 0.44535893926907455 Energy: 0.4608364871982652 Energy: 0.445358939268689 Energy: 0.5465153531878771 Energy: 0.5464333662007783 Energy: 0.5465153531874916 Energy: 0.5464333662007783 Energy: 0.5465153531878771 Energy: 0.5464333662007783 Energy: 0.4462243472993883 Energy: 0.6235822907644848 Energy: 0.4462243472993883 Energy: 0.6235822907644848 Energy: 0.4462243472990029 Energy: 0.6235822907644848 Energy: 0.4787559102680407 Energy: 0.47078251741863275 Energy: 0.4787559102676552 Energy: 0.47078251741978916 Energy: 0.4787559102680407 Energy: 0.4707825174201747 Energy: 0.5340306908602753 Energy: 0.4697569756341389 Energy: 0.5340306908629738 Energy: 0.46975697563375346 Energy: 0.5340306908606609 Energy: 0.4697569756341389 Energy: 0.48159470041836644 Energy: 0.6225394534401131 Energy: 0.48159470041682456 Energy: 0.6225394534404987 Energy: 0.48159470041836644 Energy: 0.6225394534401131 Energy: 0.46201207710605546 Energy: 0.47621303581922 Energy: 0.46201207710605546 Energy: 0.4762130358188345 Energy: 0.46201207710644093 Energy: 0.47621303581922 Energy: 0.5227799834259049 Energy: 0.43105560641649115 Energy: 0.5227799834251339 Energy: 0.4310556064161057 Energy: 0.5227799834259049 Energy: 0.43105560641649115 Energy: 0.43249336914438063 Energy: 0.5833336320443502 Energy: 0.4324933691439951 Energy: 0.5833336320439647 Energy: 0.4273290036934848 Energy: 0.5833336320443502 Energy: 0.4550346906030056 Energy: 0.5614998251090991 Energy: 0.4550346906030056 Energy: 0.5614998251094847 Energy: 0.4550346906026201 Energy: 0.5614998251094847 Energy: 0.517044699068186 Energy: 0.4022149308233354 Energy: 0.517044699067415 Energy: 0.4022149308233354 Energy: 0.5170446990678005 Energy: 0.4022149308229499 Energy: 0.4439373568989059 Energy: 0.5593770839003959 Energy: 0.4439373568985204 Energy: 0.5593770839007813 Energy: 0.44393735689813485 Energy: 0.5593770839011669 Energy: 0.46267165892029505 Energy: 0.5886207763655092 Energy: 0.46267165891990947 Energy: 0.5886207763655092 Energy: 0.4545878578437293 Energy: 0.5886207763651237 Energy: 0.45000503006728876 Energy: 0.3956246721209879 Energy: 0.4500050300669033 Energy: 0.3956246721206023 Energy: 0.4500050300680597 Energy: 0.3956246721206023 Energy: 0.4523917195371001 Energy: 0.5925090920821514 Energy: 0.4523917195374855 Energy: 0.5925090920821514 Energy: 0.4523917195371001 Energy: 0.5925090920817659 Energy: 0.517810428199505 Energy: 0.5840788749316411 Energy: 0.5178104282002759 Energy: 0.5840788749304846 Energy: 0.5178104281998903 Energy: 0.5840788749320266 Energy: 0.5137188736894626 Energy: 0.43594405622757354 Energy: 0.5137188736894626 Energy: 0.43594405622795906 Energy: 0.5137188736890771 Energy: 0.43594405622757354 Energy: 0.42430456378946796 Energy: 0.45793406788259433 Energy: 0.42430456378985343 Energy: 0.4579340678806669 Energy: 0.42430456378946796 Energy: 0.4579340678841362 minimum gb energy = 0.3956246721206023 eV minimum distance = 2.61696439330915 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.05823109025991924 Energy: 0.10506946226029407 Energy: 0.05823109025977439 Energy: 0.10506946226029407 Energy: 0.05823109025991924 Energy: 0.10506946226043891 Energy: 0.307479373240542 Energy: 0.05878554056805588 Energy: 0.30747937324421165 Energy: 0.05878554056720284 Energy: 0.30747937324351954 Energy: 0.05878554056634979 Energy: 0.30748091221917456 Energy: 0.05898911110315506 Energy: 0.30748091221705 Energy: 0.0589891111047002 Energy: 0.30748091221846635 Energy: 0.05898911110413687 Energy: 0.05823109025991924 Energy: 0.10506946226072862 Energy: 0.05823109025977439 Energy: 0.10506946226043891 Energy: 0.05823109025991924 Energy: 0.10506946226029407 Energy: 0.3074793732453544 Energy: 0.05878554056762131 Energy: 0.30747937324620744 Energy: 0.05878554056678436 Energy: 0.3074793732416687 Energy: 0.05878554056678436 Energy: 0.3074809122194642 Energy: 0.0589891111047002 Energy: 0.3074809122166315 Energy: 0.05898911110371839 Energy: 0.307480912217903 Energy: 0.058989111103992006 Energy: 0.05823109025991924 Energy: 0.10506946226058377 Energy: 0.05823109025991924 Energy: 0.10506946226043891 Energy: 0.05823109026004801 Energy: 0.10506946226058377 Energy: 0.30747937324577285 Energy: 0.05878554056720284 Energy: 0.3074793732452096 Energy: 0.05878554056720284 Energy: 0.30747937324393804 Energy: 0.05878554056734769 Energy: 0.30748091221819274 Energy: 0.05898911110386325 Energy: 0.3074809122180479 Energy: 0.058989111104281726 Energy: 0.3074809122159234 Energy: 0.05898911110413687 Energy: 0.05823109026004801 Energy: 0.10506946226014918 Energy: 0.05823109025977439 Energy: 0.10506946226058377 Energy: 0.05823109026004801 Energy: 0.10506946226043891 minimum gb energy = 0.05823109025977439 eV minimum distance = 2.83138815047531 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.5617647697572449 Energy: 0.42615211631457217 Energy: 0.5617647697580926 Energy: 0.426152116314996 Energy: 0.5617647697576688 Energy: 0.42615211631457217 Energy: 0.48633634972278283 Energy: 0.5047355733829674 Energy: 0.48633634972405443 Energy: 0.5047355733825435 Energy: 0.4863363497236306 Energy: 0.5047355733829674 Energy: 0.5354650712433158 Energy: 0.5063485021999612 Energy: 0.5339026899020476 Energy: 0.5063485021999612 Energy: 0.5339026899024715 Energy: 0.5063485021999612 Energy: 0.534548692158043 Energy: 0.4411562228511151 Energy: 0.5345486921576191 Energy: 0.4411562228506913 Energy: 0.5345486921576191 Energy: 0.44115622285153894 Energy: 0.4661839428943281 Energy: 0.5425436699905866 Energy: 0.466183942894752 Energy: 0.5425436699905866 Energy: 0.4661839428943281 Energy: 0.5425436699910104 Energy: 0.4786546060976221 Energy: 0.5020528254970474 Energy: 0.47865460610652305 Energy: 0.5020528254974713 Energy: 0.47865460610186067 Energy: 0.5020528254970474 Energy: 0.5385090983964148 Energy: 0.46713285109236447 Energy: 0.5385090983968386 Energy: 0.4671328510927883 Energy: 0.5385090983972624 Energy: 0.4671328510927883 Energy: 0.44730613356170085 Energy: 0.51835565211911 Energy: 0.44730613356085314 Energy: 0.518355652116567 Energy: 0.447306133561277 Energy: 0.5183556521237724 Energy: 0.48760769153931466 Energy: 0.5100866337651908 Energy: 0.4876076915401623 Energy: 0.5100866337651908 Energy: 0.48760769153931466 Energy: 0.510086633764767 Energy: 0.5421810340364702 Energy: 0.4532782937843298 Energy: 0.5421810340368941 Energy: 0.4532782937843298 Energy: 0.5421810340373179 Energy: 0.4532782937843298 Energy: 0.4631483883406111 Energy: 0.617501763019208 Energy: 0.46314838834103506 Energy: 0.6175017630196319 Energy: 0.46314838834103506 Energy: 0.6175017630196319 Energy: 0.5036171457532599 Energy: 0.5184742406773896 Energy: 0.503617145752836 Energy: 0.518474240679085 Energy: 0.503617145752836 Energy: 0.5184742406786612 Energy: 0.585667016681214 Energy: 0.4453695004502039 Energy: 0.585667016681638 Energy: 0.44536950045062773 Energy: 0.5856670166807901 Energy: 0.4453695004502039 Energy: 0.4530248210438441 Energy: 0.5300870248696162 Energy: 0.45302482104342023 Energy: 0.5300870248691922 Energy: 0.4530248210438441 Energy: 0.5300870248683447 Energy: 0.49936571364332 Energy: 0.4993671024787345 Energy: 0.49936571364332 Energy: 0.49936710247663446 Energy: 0.49936571364332 Energy: 0.4993671024778868 Energy: 0.5440364296739784 Energy: 0.45270774539475994 Energy: 0.5440364296735544 Energy: 0.45270774539475994 Energy: 0.5440364296735544 Energy: 0.45270774539433606 Energy: 0.49769467876758616 Energy: 0.5257649355706856 Energy: 0.49769467876801 Energy: 0.5257649355694141 Energy: 0.4976946787671623 Energy: 0.5257649355698379 Energy: 0.5041091033196815 Energy: 0.5278302967782031 Energy: 0.5041091033196815 Energy: 0.5278302967790508 Energy: 0.5041091033196815 Energy: 0.5278302967794747 Energy: 0.5037497634595407 Energy: 0.48766769602004134 Energy: 0.5037497634599645 Energy: 0.48766769602046517 Energy: 0.5037497634603882 Energy: 0.48766769602004134 Energy: 0.48316929741476206 Energy: 0.55903389428165 Energy: 0.4831692974151858 Energy: 0.5590338942820737 Energy: 0.4831692974151858 Energy: 0.5590338942824976 Energy: 0.4655605864311649 Energy: 0.4866796097056581 Energy: 0.46556058643031717 Energy: 0.4866796097056581 Energy: 0.465560586430741 Energy: 0.48667960970608193 Energy: 0.5207123955288674 Energy: 0.5092022900724866 Energy: 0.520712395529715 Energy: 0.5092022900729105 Energy: 0.5207123955288674 Energy: 0.5092022900720629 Energy: 0.4597588318989308 Energy: 0.5666919498606058 Energy: 0.4597588318989308 Energy: 0.5666919498584866 Energy: 0.45975883189850697 Energy: 0.5666919498597581 Energy: 0.5052277301719102 Energy: 0.48251227978069744 Energy: 0.5052277301714865 Energy: 0.48251227978069744 Energy: 0.5052277301710626 Energy: 0.48251227978112127 Energy: 0.5057586294640415 Energy: 0.49141106502527937 Energy: 0.5057586294644654 Energy: 0.49141106502527937 Energy: 0.5057586294644654 Energy: 0.4914110650248555 Energy: 0.42466296526012665 Energy: 0.5211088567272584 Energy: 0.42466296525927894 Energy: 0.52110885672853 Energy: 0.42466296525927894 Energy: 0.5211088567281061 Energy: 0.6056326242785084 Energy: 0.4642042582022865 Energy: 0.6056326242780846 Energy: 0.46420425820271033 Energy: 0.6056326242780846 Energy: 0.4642042582022865 Energy: 0.49931309846943295 Energy: 0.4895156604830798 Energy: 0.49931309847028055 Energy: 0.4895156604830798 Energy: 0.49931309846900906 Energy: 0.48951566048265593 Energy: 0.41323107161013933 Energy: 0.5507727392912392 Energy: 0.41323107161013933 Energy: 0.5507727392912392 Energy: 0.4132310716105631 Energy: 0.5507727392908153 Energy: 0.5535041545963153 Energy: 0.4807409329206843 Energy: 0.5535041545967199 Energy: 0.4807409329202605 Energy: 0.5535041545971437 Energy: 0.4807409329202605 Energy: 0.5280691420448795 Energy: 0.47373160372389417 Energy: 0.5280691420444557 Energy: 0.47373160372389417 Energy: 0.5280691420448795 Energy: 0.47373160372389417 Energy: 0.4521567994278971 Energy: 0.5857039282367108 Energy: 0.45215679942832093 Energy: 0.5857039282367108 Energy: 0.45215679942832093 Energy: 0.5857039282362868 Energy: 0.520051408729306 Energy: 0.4915218642432475 Energy: 0.5200514087297299 Energy: 0.4915218642432475 Energy: 0.5200514087305775 Energy: 0.4915218642432475 minimum gb energy = 0.41323107161013933 eV minimum distance = 2.65133386198144 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.6138164698692651 Energy: 0.5188061209967526 Energy: 0.6138164698692651 Energy: 0.5188061209967526 Energy: 0.613816469869869 Energy: 0.5188061209967526 Energy: 0.5549819543821011 Energy: 0.5716556113275729 Energy: 0.5549819543827049 Energy: 0.5716556113263652 Energy: 0.5549819543821011 Energy: 0.5716556113287808 Energy: 0.6191539224866965 Energy: 0.571238767970282 Energy: 0.6191539224879045 Energy: 0.5712387679708859 Energy: 0.567872666741906 Energy: 0.571238767970282 Energy: 0.613121827252194 Energy: 0.49963831557183713 Energy: 0.613121827252194 Energy: 0.49963831557183713 Energy: 0.613121827252194 Energy: 0.49963831557244115 Energy: 0.5319060417921133 Energy: 0.6204718473590526 Energy: 0.5319060417933211 Energy: 0.6204718473584487 Energy: 0.5319060417927172 Energy: 0.6204718473590526 Energy: 0.5506255754085196 Energy: 0.5776820564295715 Energy: 0.5506255754085196 Energy: 0.5776820564301755 Energy: 0.5506255754085196 Energy: 0.5776820564295715 Energy: 0.6254194151892292 Energy: 0.555024475186803 Energy: 0.625419415189833 Energy: 0.5550244751874069 Energy: 0.6254194151892292 Energy: 0.5550244751874069 Energy: 0.5706107501715838 Energy: 0.6568507528621255 Energy: 0.5706107501721879 Energy: 0.6568507528627293 Energy: 0.5706107501721879 Energy: 0.6568507528615215 Energy: 0.5809246822372558 Energy: 0.6009448475649214 Energy: 0.5809246822378598 Energy: 0.6009448475655252 Energy: 0.5809246822384637 Energy: 0.6009448475649214 Energy: 0.6230030865739966 Energy: 0.5334653166264087 Energy: 0.6230030865752045 Energy: 0.5334653166258049 Energy: 0.6230030865752045 Energy: 0.5334653166258049 Energy: 0.5603467187817573 Energy: 0.6253219393126507 Energy: 0.5603467187817573 Energy: 0.6253219393120468 Energy: 0.5603467187817573 Energy: 0.6253219393126507 Energy: 0.5632777598329081 Energy: 0.5456447969200863 Energy: 0.5632777598323041 Energy: 0.5456447969212941 Energy: 0.5632777598323041 Energy: 0.5456447969206902 Energy: 0.5631820039669795 Energy: 0.5572452552775762 Energy: 0.5631820039669795 Energy: 0.5572452552775762 Energy: 0.5631820039663756 Energy: 0.5572452552775762 Energy: 0.5530103140689213 Energy: 0.587834742372552 Energy: 0.5530103140677134 Energy: 0.5878347423719481 Energy: 0.5530103140689213 Energy: 0.5878347423713443 Energy: 0.5183615111688163 Energy: 0.5283678967073105 Energy: 0.5183615111676084 Energy: 0.5283678967073105 Energy: 0.5183615111694203 Energy: 0.5283678967073105 Energy: 0.5728558271463436 Energy: 0.550035876535744 Energy: 0.5728558271469476 Energy: 0.550035876535744 Energy: 0.5728558271463436 Energy: 0.550035876535744 Energy: 0.5182566807041934 Energy: 0.6030158586578992 Energy: 0.5182566807041934 Energy: 0.603015858658503 Energy: 0.5182566807041934 Energy: 0.6030158586572951 Energy: 0.6067130535313988 Energy: 0.5443117573969974 Energy: 0.6067130535307949 Energy: 0.5443117573963935 Energy: 0.6067130535301909 Energy: 0.5443117573963935 Energy: 0.5630728515181921 Energy: 0.5661445311022043 Energy: 0.5630728515175882 Energy: 0.5661445311022043 Energy: 0.563072851518796 Energy: 0.5661445311022043 Energy: 0.5554817573065457 Energy: 0.6299455106735473 Energy: 0.5554817573065457 Energy: 0.6299455106729435 Energy: 0.5554817573071495 Energy: 0.6299455106729435 Energy: 0.5937117363014612 Energy: 0.5148035854698484 Energy: 0.5937117363002534 Energy: 0.5148035854704524 Energy: 0.5937117363020653 Energy: 0.5148035854698484 Energy: 0.6100022466929543 Energy: 0.5984177115151269 Energy: 0.6100022466923505 Energy: 0.5984177115151269 Energy: 0.6100022466917464 Energy: 0.5984177115151269 Energy: 0.5182405072257941 Energy: 0.5846984987427963 Energy: 0.5182405072257941 Energy: 0.5846984987434003 Energy: 0.51824050722519 Energy: 0.5846984987440043 minimum gb energy = 0.49963831557183713 eV minimum distance = 2.60811499281429 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.6615328378076414 Energy: 0.5221780810456731 Energy: 0.6615328378072581 Energy: 0.5221780810460562 Energy: 0.6615328378080244 Energy: 0.5221780810456731 Energy: 0.5817704501388292 Energy: 0.604594060285126 Energy: 0.5817704501384461 Energy: 0.6045940602855091 Energy: 0.5817704501384461 Energy: 0.6045940602847428 Energy: 0.6446678510917331 Energy: 0.6042056513822922 Energy: 0.6446678510905837 Energy: 0.6042056513819092 Energy: 0.6446678510909669 Energy: 0.604205651381526 Energy: 0.6604886895263654 Energy: 0.528965859135371 Energy: 0.6604886895259823 Energy: 0.528965859135371 Energy: 0.6604886895263654 Energy: 0.528965859135754 Energy: 0.6098171637488914 Energy: 0.6509964171875596 Energy: 0.6098171637492745 Energy: 0.6509964171879427 Energy: 0.6098171637492745 Energy: 0.6509964171875596 Energy: 0.7057733000393192 Energy: 0.6427963124381478 Energy: 0.7057733000397023 Energy: 0.6453717714186834 Energy: 0.7057733000393192 Energy: 0.6453717714186834 Energy: 0.7613692318252897 Energy: 0.613114388360563 Energy: 0.7613692318252897 Energy: 0.613114388360563 Energy: 0.7613692318256727 Energy: 0.6131143883601797 Energy: 0.6139401764858895 Energy: 0.6614899531797975 Energy: 0.6139401764843568 Energy: 0.6614899531790314 Energy: 0.6139401764832075 Energy: 0.6614899531801808 Energy: 0.602512194424854 Energy: 0.5994230135279695 Energy: 0.602512194424854 Energy: 0.5994230135279695 Energy: 0.6025121944244709 Energy: 0.5994230135279695 Energy: 0.6942261244405395 Energy: 0.631037763285089 Energy: 0.6942261244413057 Energy: 0.6223673303859563 Energy: 0.694226124441689 Energy: 0.6223673303855731 Energy: 0.5954130923925337 Energy: 0.6489067142347383 Energy: 0.5954130923921506 Energy: 0.6489067142343552 Energy: 0.5954130923925337 Energy: 0.648906714233972 Energy: 0.5768148267636573 Energy: 0.5776936075213751 Energy: 0.5768148267644234 Energy: 0.5776936075225245 Energy: 0.5768148267636573 Energy: 0.5776936075221414 Energy: 0.6557348181995439 Energy: 0.5645405143672267 Energy: 0.6557348182003102 Energy: 0.5645405143668437 Energy: 0.6557348181995439 Energy: 0.5645405143668437 Energy: 0.6086394083984628 Energy: 0.6037113484583532 Energy: 0.6086394083980797 Energy: 0.6037113484579701 Energy: 0.6086394083980797 Energy: 0.6037113484583532 Energy: 0.602292803410703 Energy: 0.582035625559785 Energy: 0.6022928034122356 Energy: 0.582035625559785 Energy: 0.6022928034110862 Energy: 0.5820356255601682 Energy: 0.6602860500919545 Energy: 0.5902986781589186 Energy: 0.6602860500915714 Energy: 0.5902986781589186 Energy: 0.6602860500919545 Energy: 0.5902986781593018 Energy: 0.5855380736263442 Energy: 0.6761890525961942 Energy: 0.5855380736263442 Energy: 0.6761890525961942 Energy: 0.5855380736259611 Energy: 0.6761890525961942 Energy: 0.6372120924812085 Energy: 0.6243503241570618 Energy: 0.6372120924808253 Energy: 0.6243503241574448 Energy: 0.6372120924819746 Energy: 0.6243503241570618 Energy: 0.723454928279485 Energy: 0.6857866906353223 Energy: 0.7234549282791017 Energy: 0.6857866906357054 Energy: 0.7234549282791017 Energy: 0.6857866906360885 Energy: 0.6146379980429495 Energy: 0.6774316816896239 Energy: 0.6146379980433326 Energy: 0.6774316816896239 Energy: 0.6146379980429495 Energy: 0.6774316816900069 Energy: 0.6701087848740123 Energy: 0.5901912799576017 Energy: 0.6701087848743953 Energy: 0.5901912799576017 Energy: 0.6701087848743953 Energy: 0.5901912799576017 Energy: 0.6475607284416887 Energy: 0.5862329198299839 Energy: 0.6475607284413056 Energy: 0.5862329198303671 Energy: 0.6475607284416887 Energy: 0.5862329198299839 Energy: 0.5464058802131075 Energy: 0.6488518189519662 Energy: 0.5464058802142571 Energy: 0.6488518189519662 Energy: 0.5464058802138739 Energy: 0.6488518189519662 Energy: 0.6252493690196544 Energy: 0.6086087481940787 Energy: 0.6252493690196544 Energy: 0.6086087481940787 Energy: 0.6252493690196544 Energy: 0.6086087481936956 Energy: 0.5566998274146016 Energy: 0.5865833326910013 Energy: 0.5566998274142183 Energy: 0.5865833326910013 Energy: 0.5566998274146016 Energy: 0.5865833326906184 Energy: 0.5505833710473975 Energy: 0.6483966365600856 Energy: 0.5505833710470144 Energy: 0.6483966365600856 Energy: 0.5505833710473975 Energy: 0.6483966365604689 Energy: 0.6211292529095019 Energy: 0.5902378843889925 Energy: 0.6211292529091189 Energy: 0.5902378843889925 Energy: 0.6211292529095019 Energy: 0.5902378843889925 Energy: 0.6644469855798345 Energy: 0.7109548857459927 Energy: 0.6644469855802176 Energy: 0.6623643660961179 Energy: 0.6644469855802176 Energy: 0.689509149716286 Energy: 0.6140375096730208 Energy: 0.6974620519170616 Energy: 0.6140375096737872 Energy: 0.6974620519174447 Energy: 0.6140375096730208 Energy: 0.6974620519174447 Energy: 0.7245303801229921 Energy: 0.6138467540927444 Energy: 0.7245303801229921 Energy: 0.6138467540927444 Energy: 0.7245303801229921 Energy: 0.6138467540935105 Energy: 0.7138467200851749 Energy: 0.6327502309646148 Energy: 0.7138467200859411 Energy: 0.6327502309642317 Energy: 0.7138467200859411 Energy: 0.6327502309646148 Energy: 0.5929224513354769 Energy: 0.7043412529432856 Energy: 0.5929224513350937 Energy: 0.7043412529432856 Energy: 0.5929224513350937 Energy: 0.7043412529436687 Energy: 0.6560683950374934 Energy: 0.6197358045522702 Energy: 0.6560683950378765 Energy: 0.6197358045522702 Energy: 0.6560683950374934 Energy: 0.619735804551887 Energy: 0.6030078914286757 Energy: 0.6046784681427955 Energy: 0.6030078914282926 Energy: 0.6046784681427955 Energy: 0.6030078914286757 Energy: 0.6046784681427955 Energy: 0.6167976541293158 Energy: 0.6042018703519842 Energy: 0.6167976541289326 Energy: 0.6042018703523674 Energy: 0.6167976541293158 Energy: 0.6042018703523674 Energy: 0.6977198115152193 Energy: 0.5652860991806077 Energy: 0.6977198115148362 Energy: 0.5652860991806077 Energy: 0.6977198115148362 Energy: 0.5652860991806077 Energy: 0.574033471485185 Energy: 0.5770992177788125 Energy: 0.574033471485568 Energy: 0.5770992177784293 Energy: 0.574033471485185 Energy: 0.5770992177780462 minimum gb energy = 0.5221780810456731 eV minimum distance = 2.64261893062112 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.7060245204133987 Energy: 0.6034664203909901 Energy: 0.7060245204133987 Energy: 0.6034664203909901 Energy: 0.7060245204133987 Energy: 0.6034664203909901 Energy: 0.63371169289864 Energy: 0.6844741097217503 Energy: 0.63371169289864 Energy: 0.6844741097207042 Energy: 0.63371169289864 Energy: 0.6844741097217503 Energy: 0.8191094559242539 Energy: 0.6613738993525099 Energy: 0.7581613726337951 Energy: 0.6613738993525099 Energy: 0.7581613726337951 Energy: 0.6613738993525099 Energy: 0.7822678214098255 Energy: 0.7141195099894617 Energy: 0.7822678214098255 Energy: 0.7141195099884156 Energy: 0.7822678214098255 Energy: 0.7141195099884156 Energy: 0.6932562397375645 Energy: 0.7887753956333959 Energy: 0.6932562397375645 Energy: 0.7887753956333959 Energy: 0.6932562397396564 Energy: 0.788775395634442 Energy: 0.7233349149101449 Energy: 0.7164542965746098 Energy: 0.7233349149101449 Energy: 0.7164542965746098 Energy: 0.7233349149101449 Energy: 0.7164542965746098 Energy: 0.8484454067794596 Energy: 0.6669748968510055 Energy: 0.8484454067794596 Energy: 0.6669748968510055 Energy: 0.8484454067794596 Energy: 0.6669748968510055 Energy: 0.6427869303994573 Energy: 0.6895409360579892 Energy: 0.6427869303994573 Energy: 0.6895409360579892 Energy: 0.6427869303994573 Energy: 0.6895409360590352 Energy: 0.6284453399548797 Energy: 0.6222379180575568 Energy: 0.6284453399559258 Energy: 0.6222379180575568 Energy: 0.6284453399559258 Energy: 0.6222379180575568 Energy: 0.7088097082326879 Energy: 0.6297741330568253 Energy: 0.7088097082326879 Energy: 0.6297741330578712 Energy: 0.7088097082316417 Energy: 0.6297741330578712 Energy: 0.662841850660762 Energy: 0.6613764998806869 Energy: 0.662841850660762 Energy: 0.6613764998806869 Energy: 0.662841850660762 Energy: 0.6613764998806869 Energy: 0.6593638155387329 Energy: 0.6655581283503105 Energy: 0.6593638155387329 Energy: 0.6655581283513565 Energy: 0.6593638155387329 Energy: 0.6655581283513565 Energy: 0.7175181146335349 Energy: 0.7564811288257131 Energy: 0.7175181146335349 Energy: 0.7564811288257131 Energy: 0.7175181146335349 Energy: 0.756481128826759 Energy: 0.7257598535700283 Energy: 0.7649480784151578 Energy: 0.7257598535700283 Energy: 0.7649480784162037 Energy: 0.7257598535689823 Energy: 0.7649480784151578 minimum gb energy = 0.6034664203909901 eV minimum distance = 2.6470351977319 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.7449563348355872 Energy: 0.7599220759261274 Energy: 0.7449563348355872 Energy: 0.7599220759265868 Energy: 0.7449563348355872 Energy: 0.7599220759261274 Energy: 0.7411940383726804 Energy: 0.7340114255956687 Energy: 0.74119403837314 Energy: 0.7340114255961283 Energy: 0.7411940383726804 Energy: 0.7340114255961283 Energy: 0.743380451661216 Energy: 0.7314607969108707 Energy: 0.7433804516616755 Energy: 0.7314607969104113 Energy: 0.743380451661216 Energy: 0.7314607969108707 Energy: 0.752623205336963 Energy: 0.6815038547793234 Energy: 0.752623205336963 Energy: 0.6815038547793234 Energy: 0.7526232053365035 Energy: 0.6815038547793234 Energy: 0.7447030487682859 Energy: 0.7188322695047463 Energy: 0.7447030487687456 Energy: 0.7188322695047463 Energy: 0.7447030487687456 Energy: 0.718832269505206 Energy: 0.7031801290213245 Energy: 0.7344893866336774 Energy: 0.7031801290204056 Energy: 0.7344893866336774 Energy: 0.7031801290208651 Energy: 0.7344893866336774 Energy: 0.7229740560402157 Energy: 0.6794501330418412 Energy: 0.7229740560402157 Energy: 0.6794501330423008 Energy: 0.722974056039756 Energy: 0.6794501330423008 Energy: 0.7192307623305318 Energy: 0.7047960691455083 Energy: 0.7192307623309913 Energy: 0.7047960691450488 Energy: 0.7192307623309913 Energy: 0.7047960691450488 Energy: 0.715947126891771 Energy: 0.7043971262577726 Energy: 0.715947126891771 Energy: 0.7043971262573132 Energy: 0.715947126891771 Energy: 0.7043971262577726 Energy: 0.7154039451932989 Energy: 0.7498159612436384 Energy: 0.7154039451937584 Energy: 0.749815961243179 Energy: 0.7154039451937584 Energy: 0.7498159612440979 Energy: 0.6942167868566089 Energy: 0.7440006101585223 Energy: 0.6942167868566089 Energy: 0.7440006101580627 Energy: 0.6942167868566089 Energy: 0.7440006101585223 Energy: 0.7242121853096127 Energy: 0.7455243641449334 Energy: 0.7242121853096127 Energy: 0.7455243641449334 Energy: 0.7242121853096127 Energy: 0.7455243641449334 Energy: 0.7673569908925365 Energy: 0.7038163451332093 Energy: 0.7673569908925365 Energy: 0.703816345133669 Energy: 0.7673569908925365 Energy: 0.7038163451332093 Energy: 0.7071573438395486 Energy: 0.7644563462890074 Energy: 0.7071573438395486 Energy: 0.7644563462890074 Energy: 0.7071573438400082 Energy: 0.7644563462890074 Energy: 0.6760327791630596 Energy: 0.6759016734237903 Energy: 0.6760327791626 Energy: 0.6759016734237903 Energy: 0.6760327791630596 Energy: 0.6759016734237903 Energy: 0.721700952693783 Energy: 0.712802167061508 Energy: 0.7217009526942424 Energy: 0.712802167061508 Energy: 0.721700952693783 Energy: 0.712802167061508 Energy: 0.7025472789612954 Energy: 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0.7083460328604506 Energy: 0.740696724207 Energy: 0.7083460328604506 Energy: 0.7406967242065403 Energy: 0.7592684867354222 Energy: 0.730559285732112 Energy: 0.7592684867354222 Energy: 0.730559285732112 Energy: 0.7592684867349625 Energy: 0.7305592857330311 Energy: 0.7177660916426187 Energy: 0.7720453985140369 Energy: 0.7177660916416997 Energy: 0.7720453985135775 Energy: 0.7177660916421591 Energy: 0.7720453985140369 Energy: 0.6926779965364173 Energy: 0.7436385714585623 Energy: 0.6926779965368768 Energy: 0.7436385714590217 Energy: 0.6926779965368768 Energy: 0.7436385714585623 Energy: 0.7024897932582346 Energy: 0.7197311017141084 Energy: 0.7024897932582346 Energy: 0.7197311017141084 Energy: 0.7024897932577748 Energy: 0.7197311017145679 Energy: 0.7382666532710884 Energy: 0.7011285242847701 Energy: 0.738266653270629 Energy: 0.7011285242847701 Energy: 0.738266653270629 Energy: 0.7011285242843105 Energy: 0.6815710174833397 Energy: 0.7372319688798821 Energy: 0.6815710174828801 Energy: 0.7372319688803415 Energy: 0.6815710174833397 Energy: 0.7372319688798821 Energy: 0.6700448939367074 Energy: 0.713386639401011 Energy: 0.6700448939367074 Energy: 0.7133866394019301 Energy: 0.6700448939362479 Energy: 0.7133866394014705 Energy: 0.7223245500469072 Energy: 0.7714600555156351 Energy: 0.7223245500469072 Energy: 0.7714600555160948 Energy: 0.7223245500469072 Energy: 0.7714600555165542 minimum gb energy = 0.6690639650105021 eV minimum distance = 2.59764580725421 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.6501029485904991 Energy: 0.5845017344543202 Energy: 0.6501029485904991 Energy: 0.5845017344543202 Energy: 0.6501029485904991 Energy: 0.5845017344543202 Energy: 0.7188330423772954 Energy: 0.723460415792222 Energy: 0.7188330423781132 Energy: 0.7234604157930399 Energy: 0.7188330423781132 Energy: 0.7234604157930399 Energy: 0.7322192719234786 Energy: 0.6785237935591865 Energy: 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0.7322192719234786 Energy: 0.678523793557551 Energy: 0.6574876360145245 Energy: 0.6825206989063562 Energy: 0.6574876360145245 Energy: 0.6825206989063562 Energy: 0.6574876360145245 Energy: 0.6825206989063562 Energy: 0.7322738382925673 Energy: 0.6784895454913614 Energy: 0.7322738382925673 Energy: 0.6784895454913614 Energy: 0.7322738382925673 Energy: 0.6784895454905436 minimum gb energy = 0.5845017344543202 eV minimum distance = 2.63678579524654 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.6686758064752814 Energy: 0.7242477059917974 Energy: 0.6686758064759489 Energy: 0.724247705992465 Energy: 0.6686758064759489 Energy: 0.7242477059911601 Energy: 0.7310037148758489 Energy: 0.7252435673806061 Energy: 0.7310037148751812 Energy: 0.7252435673812738 Energy: 0.7310037148758489 Energy: 0.7252435673799383 Energy: 0.7598030613013167 Energy: 0.7393219799334971 Energy: 0.759803061300649 Energy: 0.7393219799334971 Energy: 0.759803061300649 Energy: 0.7393219799328294 Energy: 0.6837729565045184 Energy: 0.7754383741581192 Energy: 0.6837729565045184 Energy: 0.7754383741581192 Energy: 0.6837729565045184 Energy: 0.7754383741581192 Energy: 0.7898865386706373 Energy: 0.7040712198163778 Energy: 0.7898865386706373 Energy: 0.7040712198163778 Energy: 0.7898865386699696 Energy: 0.7040712198163778 Energy: 0.7498932213519217 Energy: 0.6578324613189672 Energy: 0.7498932213505863 Energy: 0.6578324613189672 Energy: 0.7498932213505863 Energy: 0.6578324613189672 Energy: 0.6657047126135887 Energy: 0.7166274520797126 Energy: 0.6657047126135887 Energy: 0.7166274520790449 Energy: 0.665704712612921 Energy: 0.7166274520797126 Energy: 0.7378515191204759 Energy: 0.7532992152061542 Energy: 0.7378515191211436 Energy: 0.7532992152048188 Energy: 0.7378515191204759 Energy: 0.7532992152054865 Energy: 0.8460633507110666 Energy: 0.6823356176268204 Energy: 0.8460633507110666 Energy: 0.6823356176274881 Energy: 0.8460633507103988 Energy: 0.6823356176274881 Energy: 0.6675311892855937 Energy: 0.7101603586328439 Energy: 0.6675311892862614 Energy: 0.7101603586335116 Energy: 0.6675311892862614 Energy: 0.7101603586335116 Energy: 0.7695753737974926 Energy: 0.7568651569802755 Energy: 0.769575373796825 Energy: 0.7568651569809431 Energy: 0.7695753737974926 Energy: 0.7568651569809431 Energy: 0.7017993694241286 Energy: 0.659225977004648 Energy: 0.7017993694247963 Energy: 0.6592259770053157 Energy: 0.7017993694241286 Energy: 0.659225977004648 Energy: 0.7102104130140077 Energy: 0.7914517512223905 Energy: 0.71021041301334 Energy: 0.7914517512223905 Energy: 0.7102104130140077 Energy: 0.7914517512223905 Energy: 0.7541533254741645 Energy: 0.769253530548812 Energy: 0.7541533254734967 Energy: 0.7692535305481443 Energy: 0.7541533254734967 Energy: 0.769253530548812 Energy: 0.7224976866439043 Energy: 0.6765103422881682 Energy: 0.722497686644572 Energy: 0.6765103422868329 Energy: 0.722497686644572 Energy: 0.6765103422875005 Energy: 0.7446834026824414 Energy: 0.7027536351962637 Energy: 0.7446834026817737 Energy: 0.7027536351969313 Energy: 0.7446834026817737 Energy: 0.7027536351962637 Energy: 0.7149151898974289 Energy: 0.7027544471091912 Energy: 0.7149151898967612 Energy: 0.7027544471091912 Energy: 0.7149151898967612 Energy: 0.7027544471098589 Energy: 0.7854474834792097 Energy: 0.7006224122428462 Energy: 0.7854474834785419 Energy: 0.7006224122435137 Energy: 0.7854474834785419 Energy: 0.7006224122435137 Energy: 0.7357658943243232 Energy: 0.766878332227125 Energy: 0.7357658943243232 Energy: 0.7668783322264573 Energy: 0.7357658943243232 Energy: 0.7668783322264573 Energy: 0.6891215875710067 Energy: 0.7634698898566928 Energy: 0.6891215875710067 Energy: 0.7634698898560252 Energy: 0.689121587570339 Energy: 0.7634698898560252 Energy: 0.702365388218526 Energy: 0.6580907265231283 Energy: 0.7023653882178583 Energy: 0.6580907265224606 Energy: 0.702365388218526 Energy: 0.6580907265224606 minimum gb energy = 0.6578324613189672 eV minimum distance = 2.6117417802964 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6617998397865227 Energy: 0.827171113646969 Energy: 0.6617998397865227 Energy: 0.827171113646969 Energy: 0.6617998397870856 Energy: 0.827171113646969 Energy: 0.6804341705382854 Energy: 0.6441500366143443 Energy: 0.6804341705377225 Energy: 0.6441500366132187 Energy: 0.6804341705382854 Energy: 0.6441500366137815 Energy: 0.6854790279579764 Energy: 0.6122016202504134 Energy: 0.6854790279574137 Energy: 0.6122016202492877 Energy: 0.6854790279579764 Energy: 0.6122016202504134 Energy: 0.5974520899324389 Energy: 0.6365652228943269 Energy: 0.5974520899318762 Energy: 0.6365652228937642 Energy: 0.5974520899324389 Energy: 0.6365652228943269 Energy: 0.6357661877784136 Energy: 0.6955140793147471 Energy: 0.6357661877795393 Energy: 0.6955140793153098 Energy: 0.6357661877801022 Energy: 0.6955140793158726 Energy: 0.7701706965099557 Energy: 0.6555402450849999 Energy: 0.7701706965099557 Energy: 0.6555402450855625 Energy: 0.7701706965093928 Energy: 0.6555402450849999 Energy: 0.6448597653645413 Energy: 0.6711980279021498 Energy: 0.6448597653645413 Energy: 0.6711980279027125 Energy: 0.6448597653639786 Energy: 0.6711980279032753 Energy: 0.6322886835019987 Energy: 0.6848770995215581 Energy: 0.6322886835019987 Energy: 0.6848770995215581 Energy: 0.632288683501436 Energy: 0.6848770995215581 Energy: 0.6692799351803583 Energy: 0.6004089432214061 Energy: 0.6692799351803583 Energy: 0.6004089432219689 Energy: 0.6692799351803583 Energy: 0.6004089432214061 Energy: 0.6691287054022561 Energy: 0.763784775471648 Energy: 0.6691287054011305 Energy: 0.763784775471648 Energy: 0.6691287054011305 Energy: 0.763784775471648 Energy: 0.670734746345027 Energy: 0.8035152952973212 Energy: 0.670734746345027 Energy: 0.8035152952973212 Energy: 0.6707347463444642 Energy: 0.8035152952978841 Energy: 0.6722687871638147 Energy: 0.6085429963115276 Energy: 0.6722687871649403 Energy: 0.6085429963115276 Energy: 0.6722687871643774 Energy: 0.6085429963115276 Energy: 0.6742701870226985 Energy: 0.6377115666722909 Energy: 0.6742701870226985 Energy: 0.6377115666722909 Energy: 0.6742701870226985 Energy: 0.637711566671728 Energy: 0.6348571842043161 Energy: 0.6658095785694582 Energy: 0.6348571842043161 Energy: 0.6658095785688954 Energy: 0.6348571842043161 Energy: 0.6658095785688954 Energy: 0.7683613751595718 Energy: 0.655633440622852 Energy: 0.7683613751595718 Energy: 0.6556334406222891 Energy: 0.7683613751595718 Energy: 0.6556334406222891 Energy: 0.6438576712734682 Energy: 0.6957573691461014 Energy: 0.643857671274031 Energy: 0.6957573691461014 Energy: 0.643857671274031 Energy: 0.6957573691461014 Energy: 0.6082250066872295 Energy: 0.6840435428774253 Energy: 0.6082250066872295 Energy: 0.6840435428774253 Energy: 0.6082250066877923 Energy: 0.6840435428768625 Energy: 0.6366477707805138 Energy: 0.6376096095646746 Energy: 0.6366477707793882 Energy: 0.6376096095641118 Energy: 0.6366477707822022 Energy: 0.6376096095646746 Energy: 0.6319215034974723 Energy: 0.635038019809865 Energy: 0.631921503498598 Energy: 0.635038019809865 Energy: 0.6319215034974723 Energy: 0.635038019809865 Energy: 0.6617998397870856 Energy: 0.8271711136464063 Energy: 0.6617998397876483 Energy: 0.8271711136464063 Energy: 0.6617998397876483 Energy: 0.8271711136464063 Energy: 0.6804341705399739 Energy: 0.6441500366137815 Energy: 0.6804341705399739 Energy: 0.6441500366143443 Energy: 0.6804341705399739 Energy: 0.6441500366143443 Energy: 0.6854790279591021 Energy: 0.6122016202492877 Energy: 0.6854790279596649 Energy: 0.6122016202492877 Energy: 0.6854790279591021 Energy: 0.6122016202498505 Energy: 0.5974520899324389 Energy: 0.6365652228943269 Energy: 0.5974520899330018 Energy: 0.6365652228948897 Energy: 0.5974520899335646 Energy: 0.6365652228943269 Energy: 0.6357661877801022 Energy: 0.6955140793158726 Energy: 0.6357661877795393 Energy: 0.6955140793164355 Energy: 0.6357661877801022 Energy: 0.6955140793158726 Energy: 0.7701706965093928 Energy: 0.6555402450855625 Energy: 0.7701706965093928 Energy: 0.6555402450855625 Energy: 0.7701706965099557 Energy: 0.6555402450855625 minimum gb energy = 0.5974520899318762 eV minimum distance = 2.61712641545828 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.6125637208259002 Energy: 0.7301775211966984 Energy: 0.6125637208254143 Energy: 0.7301775211966984 Energy: 0.6125637208254143 Energy: 0.7301775211962126 Energy: 0.7702009242564641 Energy: 0.6793276437573262 Energy: 0.7702009242559783 Energy: 0.6793276437568404 Energy: 0.7702009242559783 Energy: 0.6793276437573262 Energy: 0.8065742509378222 Energy: 0.5942138089492216 Energy: 0.7729418169329277 Energy: 0.5942138089497074 Energy: 0.7729418169329277 Energy: 0.5942138089492216 Energy: 0.5917029248266661 Energy: 0.7284237233393192 Energy: 0.5917029248261803 Energy: 0.7284237233393192 Energy: 0.5917029248266661 Energy: 0.7284237233393192 Energy: 0.6756084170895676 Energy: 0.666698017942043 Energy: 0.6756084170890819 Energy: 0.666698017942043 Energy: 0.6756084170895676 Energy: 0.666698017942043 Energy: 0.696025738263944 Energy: 0.5944531522794761 Energy: 0.696025738263944 Energy: 0.5944531522799619 Energy: 0.6960257382644298 Energy: 0.5944531522804477 Energy: 0.5951312145101725 Energy: 0.777256668221209 Energy: 0.5951312145106582 Energy: 0.7772566682216948 Energy: 0.5951312145101725 Energy: 0.777256668221209 Energy: 0.640138308049881 Energy: 0.7819686427982889 Energy: 0.6401383080503669 Energy: 0.7819686427987746 Energy: 0.640138308049881 Energy: 0.7819686427982889 Energy: 0.708653638844797 Energy: 0.5826058649918066 Energy: 0.7086536388452829 Energy: 0.5826058649918066 Energy: 0.708653638844797 Energy: 0.5826058649918066 Energy: 0.6719181380985806 Energy: 0.7062447485843124 Energy: 0.6719181380990664 Energy: 0.7062447485843124 Energy: 0.6719181380985806 Energy: 0.7062447485843124 Energy: 0.5847779004663842 Energy: 0.7446947470937799 Energy: 0.5847779004668701 Energy: 0.7446947470937799 Energy: 0.5847779004668701 Energy: 0.7446947470937799 Energy: 0.7864221379189608 Energy: 0.5933490582516986 Energy: 0.7864221379189608 Energy: 0.5933490582516986 Energy: 0.7864221379184749 Energy: 0.5933490582521844 Energy: 0.7417331404028559 Energy: 0.6422784705671157 Energy: 0.7417331404028559 Energy: 0.6422784705671157 Energy: 0.7417331404023702 Energy: 0.6422784705680873 Energy: 0.5925906790256709 Energy: 0.6941053329066772 Energy: 0.5925906790256709 Energy: 0.6941053329061914 Energy: 0.5925906790256709 Energy: 0.694105332907163 Energy: 0.772412448511053 Energy: 0.5830331600055799 Energy: 0.772412448511053 Energy: 0.5830331600050941 Energy: 0.7724124485105671 Energy: 0.5830331600036367 Energy: 0.7466375349615773 Energy: 0.5826471821293432 Energy: 0.7466375349610915 Energy: 0.582647182130315 Energy: 0.7466375349615773 Energy: 0.582647182129829 Energy: 0.5983085476428002 Energy: 0.7482820222852257 Energy: 0.598308547643286 Energy: 0.7482820222852257 Energy: 0.598308547643286 Energy: 0.7482820222847398 Energy: 0.7507041477796016 Energy: 0.7603243125951769 Energy: 0.7507041477796016 Energy: 0.7603243125951769 Energy: 0.7507041477791158 Energy: 0.7603243125951769 Energy: 0.7072737748996479 Energy: 0.5936873162535465 Energy: 0.7072737749006196 Energy: 0.5936873162535465 Energy: 0.7072737748996479 Energy: 0.5936873162535465 Energy: 0.5987664001349814 Energy: 0.7284513007325267 Energy: 0.5987664001335239 Energy: 0.7284513007325267 Energy: 0.5987664001330382 Energy: 0.7284513007325267 Energy: 0.5834592665767607 Energy: 0.7763015468050558 Energy: 0.5834592665772464 Energy: 0.7763015468045701 Energy: 0.5834592665767607 Energy: 0.7763015468050558 Energy: 0.7425465650722443 Energy: 0.5943377230539806 Energy: 0.74254656507273 Energy: 0.5943377230539806 Energy: 0.7425465650722443 Energy: 0.5943377230539806 Energy: 0.6903511594700286 Energy: 0.7892527869089229 Energy: 0.6903511594695427 Energy: 0.7892527869089229 Energy: 0.6903511594700286 Energy: 0.7892527869089229 Energy: 0.6141921098680639 Energy: 0.720226618007275 Energy: 0.6141921098680639 Energy: 0.720226618006789 Energy: 0.6141921098680639 Energy: 0.720226618006789 Energy: 0.725791849827555 Energy: 0.5940289095209187 Energy: 0.7257918498280408 Energy: 0.5940289095204327 Energy: 0.725791849827555 Energy: 0.5940289095204327 Energy: 0.7930779425939036 Energy: 0.6364123494232846 Energy: 0.7930779425943895 Energy: 0.6364123494232846 Energy: 0.7930779425939036 Energy: 0.6364123494237705 Energy: 0.5839169382096419 Energy: 0.6902477663802563 Energy: 0.583916938209156 Energy: 0.6902477663802563 Energy: 0.5839169382096419 Energy: 0.6902477663802563 Energy: 0.7643102353542832 Energy: 0.5948397991022294 Energy: 0.7643102353542832 Energy: 0.5948397991017437 Energy: 0.7643102353542832 Energy: 0.5948397991027152 Energy: 0.7375413661057475 Energy: 0.5938565583469211 Energy: 0.7375413661057475 Energy: 0.5938565583469211 Energy: 0.7375413661052617 Energy: 0.5938565583464352 minimum gb energy = 0.5826058649918066 eV minimum distance = 2.6168842381938 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.5850013682659551 Energy: 0.7020167276592431 Energy: 0.5850013682663822 Energy: 0.7020167276592431 Energy: 0.5850013682659551 Energy: 0.702016727658389 Energy: 0.6970366301727738 Energy: 0.6315503448469304 Energy: 0.6970366301727738 Energy: 0.612368700136444 Energy: 0.6970366301727738 Energy: 0.6123687001360169 Energy: 0.7378017138746698 Energy: 0.5641356851076884 Energy: 0.7378017138742425 Energy: 0.5641356851076884 Energy: 0.7378017138738155 Energy: 0.5641356851076884 Energy: 0.5532593539023924 Energy: 0.7995077923595173 Energy: 0.5532593539019655 Energy: 0.7602055229534348 Energy: 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0.5522901242093439 Energy: 0.7836425451867848 Energy: 0.5522901242093439 Energy: 0.7836425451863578 Energy: 0.5522901242084899 Energy: 0.7836425451867848 Energy: 0.5518461779694765 Energy: 0.7769324467754536 Energy: 0.5518461779690496 Energy: 0.7769324467750264 Energy: 0.5518461779690496 Energy: 0.7769324467750264 Energy: 0.7041861197823678 Energy: 0.5581845626981239 Energy: 0.7041861197823678 Energy: 0.5581845626985509 Energy: 0.7041861197823678 Energy: 0.5581845626981239 Energy: 0.6241826842109123 Energy: 0.8459861675615385 Energy: 0.6241826842104853 Energy: 0.8459861675611114 Energy: 0.6241826842109123 Energy: 0.8459861675615385 Energy: 0.5606723287403909 Energy: 0.758734755299171 Energy: 0.5606723287403909 Energy: 0.7587347552995981 Energy: 0.5606723287403909 Energy: 0.758734755299171 Energy: 0.7681911657953979 Energy: 0.5573203585918224 Energy: 0.7681911657962519 Energy: 0.5573203585918224 Energy: 0.7681911657958248 Energy: 0.5573203585918224 Energy: 0.70249412143779 Energy: 0.6740436125587933 Energy: 0.7024941214373629 Energy: 0.6740436125587933 Energy: 0.7024941214373629 Energy: 0.6740436125587933 Energy: 0.5532247502113011 Energy: 0.7003384591016021 Energy: 0.5532247502121552 Energy: 0.7003384591016021 Energy: 0.5532247502121552 Energy: 0.700338459101175 Energy: 0.8537362082585427 Energy: 0.6981718090499865 Energy: 0.8537362082581156 Energy: 0.6981718090491519 Energy: 0.8537362082585427 Energy: 0.6981718090499865 Energy: 0.6979416758736121 Energy: 0.5655525141044279 Energy: 0.6979416758736121 Energy: 0.5655525141044279 Energy: 0.6979416758736121 Energy: 0.5655525141048549 Energy: 0.5851201054761096 Energy: 0.7419679187237217 Energy: 0.5851201054765366 Energy: 0.7419679187237217 Energy: 0.5851201054761096 Energy: 0.7419679187241487 Energy: 0.6734179087125354 Energy: 0.747234400045376 Energy: 0.6734179087125354 Energy: 0.7472344000458031 Energy: 0.6734179087129625 Energy: 0.747234400045376 Energy: 0.7001901490407433 Energy: 0.5643409683029533 Energy: 0.7001901490411704 Energy: 0.5643409683029533 Energy: 0.7001901490407433 Energy: 0.5643409683033802 Energy: 0.5519645255409646 Energy: 0.8234851469366036 Energy: 0.5519645255409646 Energy: 0.8234851469370307 Energy: 0.5519645255422458 Energy: 0.8234851469366036 Energy: 0.5522084052180206 Energy: 0.6834903241009618 Energy: 0.5522084052188746 Energy: 0.6834903241005348 Energy: 0.5522084052184477 Energy: 0.6834903241013888 Energy: 0.7039943042374635 Energy: 0.5572041360458816 Energy: 0.7039943042370364 Energy: 0.5572041360458816 Energy: 0.7039943042370364 Energy: 0.5572041360454546 Energy: 0.775083883211992 Energy: 0.6740054669905472 Energy: 0.7750838832111377 Energy: 0.6740054669909742 Energy: 0.7750838832111377 Energy: 0.6740054669909742 minimum gb energy = 0.5518461779690496 eV minimum distance = 2.63151573570431 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011797255738220528 Energy: 0.7261728369461876 Energy: 0.011797255738220528 Energy: 0.7261728369461876 Energy: 0.011797255738220528 Energy: 0.7261728369461876 Energy: 0.013437237375928933 Energy: 0.7568317318242109 Energy: 0.013437237375928933 Energy: 0.756831731823521 Energy: 0.013437237375574108 Energy: 0.7568317318238759 Energy: 0.7261953844725717 Energy: 0.2191906905485279 Energy: 0.7261953844722366 Energy: 0.21919069054819282 Energy: 0.7261953844718818 Energy: 0.2191906905492179 Energy: 0.013437237375574108 Energy: 0.756831731823521 Energy: 0.013437237375928933 Energy: 0.7568317318238759 Energy: 0.013437237376264044 Energy: 0.7568317318238759 minimum gb energy = 0.011797255738220528 eV minimum distance = 2.77527762850459 Angstroms sigma value = 1