Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.863645777106285 cohesive_energy=4.290547094651004 mass=55.845 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: 0.01321540550431451 Energy: 0.013778682641075422 Energy: 0.5542286153428568 Energy: 0.013778682640603421 Energy: 0.01321540550431451 Energy: 0.013778682641075422 Energy: 0.013778682641075422 Energy: 2.9248846634485113 Energy: 0.013778682641075422 Energy: 3.2051825671917644 Energy: 0.013778682641075422 Energy: 2.9248846634480388 Energy: 0.5542286153433289 Energy: 0.013778682640603421 Energy: 0.01321540550431451 Energy: 0.013778682641075422 Energy: 0.5542286153428568 Energy: 0.013778682641075422 Energy: 0.013778682641075422 Energy: 3.2051825671917644 Energy: 0.013778682641075422 Energy: 2.5529775200812748 Energy: 0.013778682641075422 Energy: 3.205182567191265 Energy: 0.01321540550431451 Energy: 0.013778682641075422 Energy: 0.5542286153428568 Energy: 0.013778682641075422 Energy: 0.01321540550431451 Energy: 0.013778682641075422 Energy: 0.013778682641075422 Energy: 2.9248846634485113 Energy: 0.013778682641075422 Energy: 3.205182567191265 Energy: 0.013778682640603421 Energy: 2.5529775200808023 minimum gb energy = 0.01321540550431451 eV minimum distance = 2.39144743361825 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.2974850466559282 Energy: 1.2738068815961543 Energy: 1.2747302283427817 Energy: 1.273806881594951 Energy: 1.2974850466559282 Energy: 1.2738068815961543 Energy: 1.2582126358930872 Energy: 1.2533674920804627 Energy: 1.2041858861699977 Energy: 1.2533674920804627 Energy: 1.2582126358930872 Energy: 1.2533674920804627 Energy: 1.2125419956048675 Energy: 1.253126687926013 Energy: 1.2903895782355923 Energy: 1.253126687926013 Energy: 1.2125419956048675 Energy: 1.253126687926013 Energy: 1.3609088495941335 Energy: 1.2338136733931828 Energy: 1.2105237403039137 Energy: 1.2338136733931828 Energy: 1.3609088495941335 Energy: 1.233813673394386 Energy: 1.320368576212124 Energy: 1.2745382133966143 Energy: 1.3282545881258416 Energy: 1.2745382133966143 Energy: 1.320368576212124 Energy: 1.2745382133966143 Energy: 1.2903505072795687 Energy: 1.2526227618912265 Energy: 1.219919011889505 Energy: 1.2526227618912265 Energy: 1.2903505072783656 Energy: 1.2526227618900234 Energy: 1.290500540211184 Energy: 1.2528334886330357 Energy: 1.2159663732149029 Energy: 1.2528334886330357 Energy: 1.290500540211184 Energy: 1.2528334886330357 Energy: 1.3483232355711956 Energy: 1.2744579770656692 Energy: 1.1997856273451433 Energy: 1.2744579770656692 Energy: 1.3483232355711956 Energy: 1.2744579770656692 Energy: 1.3575755788749082 Energy: 1.2338384565895626 Energy: 1.1991141818402322 Energy: 1.2338384565907652 Energy: 1.3575755788749082 Energy: 1.2338384565907652 Energy: 1.2928835300391415 Energy: 1.2530673403206969 Energy: 1.2197880171500288 Energy: 1.2530673403206969 Energy: 1.2928835300391415 Energy: 1.2530673403206969 Energy: 1.2566689705797613 Energy: 1.2433036964029895 Energy: 1.2710495714280652 Energy: 1.2433036964017867 Energy: 1.2566689705797613 Energy: 1.2433036964017867 Energy: 1.2012727761908577 Energy: 1.2742140327918927 Energy: 1.2012608619387442 Energy: 1.274214032793096 Energy: 1.2012727761908577 Energy: 1.274214032793096 Energy: 1.271252099250723 Energy: 1.2433036964017867 Energy: 1.2181314173474331 Energy: 1.2433036964017867 Energy: 1.271252099250723 Energy: 1.2433036964017867 Energy: 1.219786674000702 Energy: 1.2530689838218019 Energy: 1.2929009150286823 Energy: 1.2530689838218019 Energy: 1.219786674000702 Energy: 1.2530689838218019 Energy: 1.2090580086663263 Energy: 1.2338337090093123 Energy: 1.3576146387202397 Energy: 1.2338337090093123 Energy: 1.2090580086663263 Energy: 1.2338337090093123 Energy: 1.199682242418296 Energy: 1.274777138705648 Energy: 1.348339843808682 Energy: 1.274777138705648 Energy: 1.199682242418296 Energy: 1.274777138705648 Energy: 1.217278877661988 Energy: 1.2530311565812742 Energy: 1.2901047796249265 Energy: 1.2530311565812742 Energy: 1.217278877661988 Energy: 1.2530311565800711 Energy: 1.2200425710581748 Energy: 1.2526239380886066 Energy: 1.2904723616588885 Energy: 1.2526239380886066 Energy: 1.2200425710581748 Energy: 1.2526239380886066 Energy: 1.253316148122879 Energy: 1.2745781894048662 Energy: 1.320393693522921 Energy: 1.2745781894048662 Energy: 1.253316148122879 Energy: 1.2745781894036636 Energy: 1.2105767097976305 Energy: 1.233822006932494 Energy: 1.36090616585064 Energy: 1.233822006932494 Energy: 1.2105767097976305 Energy: 1.233822006932494 Energy: 1.290343551392995 Energy: 1.2531189732977968 Energy: 1.2125518302427343 Energy: 1.2531189732977968 Energy: 1.290343551394198 Energy: 1.2531189732977968 Energy: 1.2036884582571494 Energy: 1.2533898423713532 Energy: 1.2581965204803602 Energy: 1.2533898423713532 Energy: 1.2036884582559464 Energy: 1.2533898423713532 Energy: 1.315396687383006 Energy: 1.2738068815961543 Energy: 1.2974850466559282 Energy: 1.2738068815973569 Energy: 1.315396687383006 Energy: 1.2738068815973569 minimum gb energy = 1.1991141818402322 eV minimum distance = 2.286998981923 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.774222908947991 Energy: 1.3440484194292208 Energy: 1.3013433190482218 Energy: 1.3440484194292208 Energy: 1.7742229089473067 Energy: 1.3440484194292208 Energy: 1.278301358411379 Energy: 1.3127199274617536 Energy: 1.2931259645521727 Energy: 1.3127199274617536 Energy: 1.2783013584127476 Energy: 1.3127199274617536 Energy: 1.2531243751983998 Energy: 1.3418079355192534 Energy: 1.4153481065282165 Energy: 1.3418079355192534 Energy: 1.2531243751983998 Energy: 1.3418079355192534 Energy: 1.2940547146691734 Energy: 1.3006605311362993 Energy: 1.4463939736351692 Energy: 1.3006605311362993 Energy: 1.2940547146691734 Energy: 1.3006605311362993 Energy: 1.293952879804102 Energy: 1.3206762411737447 Energy: 1.4303908099443619 Energy: 1.3206762411737447 Energy: 1.293952879804102 Energy: 1.3206762411737447 Energy: 1.2866019397171617 Energy: 1.321558254132363 Energy: 1.2690877395329108 Energy: 1.321558254132363 Energy: 1.2866019397164776 Energy: 1.321558254132363 Energy: 1.2863642333788146 Energy: 1.3216537004369209 Energy: 1.3484796776695716 Energy: 1.3216537004369209 Energy: 1.2863642333781307 Energy: 1.3216537004369209 Energy: 1.2692927940827896 Energy: 1.3209726539351567 Energy: 1.318519849821243 Energy: 1.3209726539351567 Energy: 1.2692927940821053 Energy: 1.3209726539351567 Energy: 1.2939205767336257 Energy: 1.3008535534648198 Energy: 1.286289059764591 Energy: 1.3008535534641354 Energy: 1.2939205767343098 Energy: 1.3008535534641354 Energy: 1.285973396994063 Energy: 1.3418437999333337 Energy: 1.2931092020113952 Energy: 1.3418437999326494 Energy: 1.2859733969933789 Energy: 1.3418437999326494 Energy: 1.2774747174480439 Energy: 1.3153106705228963 Energy: 1.2936648713545196 Energy: 1.315310670522212 Energy: 1.2774747174480439 Energy: 1.3153106705228963 Energy: 1.4152991412620777 Energy: 1.3213323295639672 Energy: 1.313468492994987 Energy: 1.321332329563283 Energy: 1.4152991412627618 Energy: 1.321332329563283 Energy: 1.4610748583280453 Energy: 1.3104835666596797 Energy: 1.3059464314672589 Energy: 1.3104835666589956 Energy: 1.4610748583287292 Energy: 1.3104835666589956 Energy: 1.3473442805037679 Energy: 1.3413275093738901 Energy: 1.291336917974475 Energy: 1.3413275093738901 Energy: 1.3473442805037679 Energy: 1.3413275093738901 Energy: 1.4160600639056227 Energy: 1.3208159533603396 Energy: 1.3906372690609574 Energy: 1.3208159533596553 Energy: 1.4160600639056227 Energy: 1.3208159533596553 Energy: 1.415840799064092 Energy: 1.320623212938268 Energy: 1.3135210617343367 Energy: 1.3206232129375841 Energy: 1.415840799064092 Energy: 1.320623212938268 Energy: 1.4309059553727361 Energy: 1.321581810437409 Energy: 1.29281182834015 Energy: 1.3215818104380932 Energy: 1.4309059553727361 Energy: 1.321581810437409 Energy: 1.4659567918170777 Energy: 1.3120475816829407 Energy: 1.390479088031666 Energy: 1.312047581683625 Energy: 1.4659567918170777 Energy: 1.312047581683625 Energy: 1.268764841979 Energy: 1.3208993377680678 Energy: 1.3185993199816077 Energy: 1.3208993377680678 Energy: 1.268764841979 Energy: 1.3208993377680678 Energy: 1.2931143218056649 Energy: 1.3007350978401335 Energy: 1.2876429699592513 Energy: 1.3007350978408179 Energy: 1.2931143218063488 Energy: 1.3007350978401335 Energy: 1.4140183065503673 Energy: 1.3418454772602144 Energy: 1.2842407056906224 Energy: 1.3418454772608988 Energy: 1.4140183065503673 Energy: 1.3418454772608988 Energy: 1.278126324344455 Energy: 1.3160039415953801 Energy: 1.2935824809538574 Energy: 1.3160039415953801 Energy: 1.278126324344455 Energy: 1.3160039415953801 Energy: 1.292544317827164 Energy: 1.3214770371881053 Energy: 1.4307878990369776 Energy: 1.3214770371881053 Energy: 1.292544317827164 Energy: 1.3214770371881053 Energy: 1.45429119269637 Energy: 1.312221223552977 Energy: 1.2944387356657356 Energy: 1.3122212235536612 Energy: 1.45429119269637 Energy: 1.312221223552977 Energy: 1.3149329984808187 Energy: 1.3230961426739918 Energy: 1.4152863835776754 Energy: 1.3230961426739918 Energy: 1.3149329984801346 Energy: 1.3230961426739918 Energy: 1.292470039578106 Energy: 1.341743398667016 Energy: 1.316217466506615 Energy: 1.341743398667016 Energy: 1.292470039578106 Energy: 1.341743398667016 Energy: 1.292492255613495 Energy: 1.3417442685082026 Energy: 1.298428738982878 Energy: 1.3417442685082026 Energy: 1.292492255613495 Energy: 1.3417442685082026 Energy: 1.3149463450574543 Energy: 1.3213599771622866 Energy: 1.4153199571687738 Energy: 1.3213599771622866 Energy: 1.3149463450574543 Energy: 1.3213599771622866 Energy: 1.4543464572566198 Energy: 1.3122196615539319 Energy: 1.2947740355421198 Energy: 1.3122196615539319 Energy: 1.4543464572573042 Energy: 1.3122196615532478 Energy: 1.2925498772986215 Energy: 1.3214743886025029 Energy: 1.3547068588675744 Energy: 1.3214743886031872 Energy: 1.2925498772986215 Energy: 1.3214743886031872 Energy: 1.278093962450413 Energy: 1.3160039415946958 Energy: 1.2937052410989456 Energy: 1.3160039415940115 Energy: 1.278093962450413 Energy: 1.3160039415940115 Energy: 1.414026497571432 Energy: 1.3418562240391292 Energy: 1.2842299754805095 Energy: 1.3418562240398135 Energy: 1.414026497571432 Energy: 1.3418562240398135 Energy: 1.2931220011632902 Energy: 1.3005447379384056 Energy: 1.2862558303404474 Energy: 1.3005447379384056 Energy: 1.293122001162606 Energy: 1.3005447379384056 Energy: 1.2687648144149344 Energy: 1.3208928986550625 Energy: 1.2853790804968437 Energy: 1.3208928986543782 Energy: 1.2687648144149344 Energy: 1.3208928986543782 Energy: 1.465918786591848 Energy: 1.3120429326180911 Energy: 1.3168780283231736 Energy: 1.3120429326180911 Energy: 1.465918786591848 Energy: 1.3120429326180911 Energy: 1.4307766668078687 Energy: 1.3215863373684102 Energy: 1.2928039939449334 Energy: 1.321586337367726 Energy: 1.4307766668085533 Energy: 1.321586337367726 Energy: 1.4157582731000975 Energy: 1.320566717672497 Energy: 1.2806917328131588 Energy: 1.3205667176731808 Energy: 1.4157582731000975 Energy: 1.3205667176731808 Energy: 1.4159506721423567 Energy: 1.3208410235871522 Energy: 1.390557217683692 Energy: 1.320841023586468 Energy: 1.4159506721416728 Energy: 1.320841023586468 Energy: 1.3473456456940116 Energy: 1.3412950748663497 Energy: 1.291487868330292 Energy: 1.3412950748670338 Energy: 1.3473456456940116 Energy: 1.3412950748670338 Energy: 1.4608706677475713 Energy: 1.3104807486474221 Energy: 1.3056058998905935 Energy: 1.3104807486474221 Energy: 1.4608706677475713 Energy: 1.3104807486474221 Energy: 1.4152870636274475 Energy: 1.3213130938139366 Energy: 1.2806137496308063 Energy: 1.321313093814621 Energy: 1.4152870636274475 Energy: 1.321313093814621 minimum gb energy = 1.2531243751983998 eV minimum distance = 2.25783492172054 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 1.518765728933739 Energy: 1.360894662677015 Energy: 1.3949632076888125 Energy: 1.360894662677015 Energy: 1.518765728933739 Energy: 1.360894662677015 Energy: 1.2653157547938938 Energy: 1.358904104079544 Energy: 1.586865416414631 Energy: 1.358904104079544 Energy: 1.265315754795479 Energy: 1.3589041040779586 Energy: 1.2647398202944875 Energy: 1.360787688024474 Energy: 1.5863564149692508 Energy: 1.360787688024474 Energy: 1.2647398202944875 Energy: 1.360787688024474 Energy: 1.2781629561860353 Energy: 1.3134426580166119 Energy: 1.5875218130716167 Energy: 1.3134426580197827 Energy: 1.2781629561860353 Energy: 1.3134426580197827 Energy: 1.2651607007716104 Energy: 1.3175406843904385 Energy: 1.5864176651070239 Energy: 1.3175406843904385 Energy: 1.2651607007716104 Energy: 1.3175406843904385 Energy: 1.5182931367002914 Energy: 1.3133639069540648 Energy: 1.6368365591223157 Energy: 1.3133639069540648 Energy: 1.5182931367002914 Energy: 1.3133639069540648 Energy: 1.5186729668941494 Energy: 1.316767260255327 Energy: 1.5863183139862602 Energy: 1.3167672602537415 Energy: 1.5186729668941494 Energy: 1.316767260255327 Energy: 1.278862515732457 Energy: 1.3135240375810235 Energy: 1.2454169198036373 Energy: 1.3135240375810235 Energy: 1.278862515732457 Energy: 1.3135240375810235 Energy: 1.5185438989580466 Energy: 1.3409842868244337 Energy: 1.279906417031316 Energy: 1.3409842868244337 Energy: 1.518543898959632 Energy: 1.3409842868228483 Energy: 1.2648274603749172 Energy: 1.3620626605963508 Energy: 1.245397993086246 Energy: 1.3620626605963508 Energy: 1.2648274603749172 Energy: 1.3620626605963508 Energy: 1.5978390589155889 Energy: 1.3147344546105528 Energy: 1.5865428549070297 Energy: 1.3147344546105528 Energy: 1.5978390589155889 Energy: 1.3147344546105528 Energy: 1.5187004485447426 Energy: 1.361752278182268 Energy: 1.6368989122036672 Energy: 1.361752278182268 Energy: 1.5187004485447426 Energy: 1.361752278182268 Energy: 1.4039406582450045 Energy: 1.313357977155192 Energy: 1.5869305308650261 Energy: 1.313357977155192 Energy: 1.4039406582450045 Energy: 1.313357977155192 Energy: 1.2645824632674236 Energy: 1.3616438420097512 Energy: 1.5865320877985074 Energy: 1.3616438420097512 Energy: 1.2645824632674236 Energy: 1.3616438420097512 Energy: 1.264548186397629 Energy: 1.3661012706033322 Energy: 1.5866618769490668 Energy: 1.3661012706049176 Energy: 1.264548186397629 Energy: 1.3661012706049176 Energy: 1.2657133938319718 Energy: 1.31711902936529 Energy: 1.586542298084455 Energy: 1.31711902936529 Energy: 1.2657133938319718 Energy: 1.31711902936529 Energy: 1.5183418033540008 Energy: 1.366408825968288 Energy: 1.6345448766675235 Energy: 1.366408825968288 Energy: 1.5183418033540008 Energy: 1.366408825968288 Energy: 1.5184554090318942 Energy: 1.3189355619024363 Energy: 1.5867968118120948 Energy: 1.3189355619024363 Energy: 1.5184554090318942 Energy: 1.3189355619024363 minimum gb energy = 1.245397993086246 eV minimum distance = 2.2511476403736 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 1.6517743893218324 Energy: 1.4219058390021586 Energy: 1.3641858735987775 Energy: 1.4219058390021586 Energy: 1.6517743893218324 Energy: 1.4219058390021586 Energy: 1.313786385299632 Energy: 1.4051039515909922 Energy: 1.3378731688903664 Energy: 1.4051039515909922 Energy: 1.313786385299632 Energy: 1.4051039515909922 Energy: 1.2807721028899426 Energy: 1.4157423644409464 Energy: 1.4398925120108492 Energy: 1.4157423644409464 Energy: 1.2807721028899426 Energy: 1.4157423644409464 Energy: 1.3138401250278529 Energy: 1.389950731524027 Energy: 1.3376913986503056 Energy: 1.389950731524027 Energy: 1.3138401250278529 Energy: 1.389950731524027 Energy: 1.3143221479845029 Energy: 1.4221037616148784 Energy: 1.337744153849144 Energy: 1.4221037616148784 Energy: 1.3143221479845029 Energy: 1.4221037616148784 Energy: 1.3377492567296811 Energy: 1.4220956837821337 Energy: 1.3143072469286974 Energy: 1.4220956837821337 Energy: 1.3377492567287408 Energy: 1.4220956837821337 Energy: 1.337750287635709 Energy: 1.3899515158701212 Energy: 1.313839948345183 Energy: 1.3899515158701212 Energy: 1.33775028763479 Energy: 1.3899515158701212 Energy: 1.4399094631464726 Energy: 1.4157468451490913 Energy: 1.2807680366870509 Energy: 1.4157468451490913 Energy: 1.4399094631464726 Energy: 1.4157468451490913 Energy: 1.3379224493082942 Energy: 1.4050576745830148 Energy: 1.280851675116762 Energy: 1.4050576745830148 Energy: 1.3379224493082942 Energy: 1.4050576745830148 Energy: 1.3881248236455377 Energy: 1.4219058390012183 Energy: 1.6517743893218324 Energy: 1.4219058390012183 Energy: 1.3881248236455377 Energy: 1.4219058390012183 Energy: 1.3378731688903664 Energy: 1.4051039515909922 Energy: 1.2974135657364811 Energy: 1.4051039515900514 Energy: 1.3378731688903664 Energy: 1.4051039515900514 Energy: 1.4398925120108492 Energy: 1.4157423644409464 Energy: 1.2807721028899426 Energy: 1.4157423644409464 Energy: 1.4398925120108492 Energy: 1.4157423644409464 Energy: 1.3376913986503056 Energy: 1.389950731524027 Energy: 1.3138401250278529 Energy: 1.389950731524027 Energy: 1.3376913986503056 Energy: 1.389950731524027 Energy: 1.337744153849144 Energy: 1.4221037616148784 Energy: 1.3143221479835627 Energy: 1.4221037616148784 Energy: 1.337744153849144 Energy: 1.4221037616148784 Energy: 1.3143072469286974 Energy: 1.4220956837821337 Energy: 1.455566308929504 Energy: 1.4220956837821337 Energy: 1.3143072469286974 Energy: 1.4220956837821337 Energy: 1.3469367136562402 Energy: 1.3899515158691809 Energy: 1.337750287635709 Energy: 1.3899515158691809 Energy: 1.3469367136562402 Energy: 1.3899515158691809 Energy: 1.2807680366870509 Energy: 1.4157468451490913 Energy: 1.4399094631464726 Energy: 1.4157468451490913 Energy: 1.2807680366870509 Energy: 1.4157468451490913 Energy: 1.280851675116762 Energy: 1.4050576745830148 Energy: 1.3379224493082942 Energy: 1.4050576745830148 Energy: 1.280851675116762 Energy: 1.4050576745830148 Energy: 1.6517743893218324 Energy: 1.4219058390021586 Energy: 1.3881248236455377 Energy: 1.4219058390021586 Energy: 1.6517743893218324 Energy: 1.4219058390021586 Energy: 1.2974135657374215 Energy: 1.4051039515909922 Energy: 1.3378731688903664 Energy: 1.4051039515909922 Energy: 1.2974135657374215 Energy: 1.4051039515909922 Energy: 1.2807721028899426 Energy: 1.4157423644409464 Energy: 1.4398925120108492 Energy: 1.4157423644409464 Energy: 1.2807721028899426 Energy: 1.415742364440006 Energy: 1.3138401250278529 Energy: 1.389950731524027 Energy: 1.3376913986503056 Energy: 1.389950731524027 Energy: 1.3138401250278529 Energy: 1.389950731524027 Energy: 1.3143221479845029 Energy: 1.4221037616148784 Energy: 1.337744153849144 Energy: 1.4221037616148784 Energy: 1.3143221479845029 Energy: 1.4221037616148784 Energy: 1.3517058035391594 Energy: 1.4220956837821337 Energy: 1.3143072469286974 Energy: 1.4220956837821337 Energy: 1.3517058035400997 Energy: 1.4220956837821337 Energy: 1.33775028763479 Energy: 1.3899515158691809 Energy: 1.3766915096644958 Energy: 1.3899515158701212 Energy: 1.337750287635709 Energy: 1.3899515158691809 Energy: 1.4399094631464726 Energy: 1.4157468451490913 Energy: 1.2807680366870509 Energy: 1.4157468451490913 Energy: 1.4399094631464726 Energy: 1.4157468451490913 Energy: 1.3379224493082942 Energy: 1.4050576745830148 Energy: 1.280851675116762 Energy: 1.4050576745830148 Energy: 1.3379224493082942 Energy: 1.4050576745830148 Energy: 1.3881248236455377 Energy: 1.4219058390012183 Energy: 1.6517743893218324 Energy: 1.4219058390021586 Energy: 1.3881248236455377 Energy: 1.4219058390012183 Energy: 1.3378731688903664 Energy: 1.4051039515909922 Energy: 1.2974135657364811 Energy: 1.4051039515909922 Energy: 1.3378731688903664 Energy: 1.4051039515909922 Energy: 1.4398925120108492 Energy: 1.4157423644409464 Energy: 1.2807721028899426 Energy: 1.4157423644409464 Energy: 1.4398925120108492 Energy: 1.4157423644409464 minimum gb energy = 1.2807680366870509 eV minimum distance = 2.24519886019464 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 1.1880152435939588 Energy: 1.3344343004895893 Energy: 1.4733251535738772 Energy: 1.3344343004895893 Energy: 1.1880152435939588 Energy: 1.3344343004895893 Energy: 1.1795834235718627 Energy: 1.307333955816656 Energy: 1.2093877810700615 Energy: 1.307333955816656 Energy: 1.1795834235718627 Energy: 1.307333955816656 Energy: 1.2103291898985304 Energy: 1.4954042603572801 Energy: 1.2113699699418332 Energy: 1.4954042603577253 Energy: 1.2103291898985304 Energy: 1.4954042603572801 Energy: 1.1850196681377998 Energy: 1.3362829424981746 Energy: 1.2106268595532552 Energy: 1.3362829424981746 Energy: 1.1850196681377998 Energy: 1.3362829424981746 Energy: 1.236718438018653 Energy: 1.33503621154562 Energy: 1.2096577129338106 Energy: 1.3350362115453844 Energy: 1.236718438018653 Energy: 1.33503621154562 Energy: 1.2095459300876052 Energy: 1.4969067828861875 Energy: 1.2098330184591104 Energy: 1.4969067828861875 Energy: 1.2095459300876052 Energy: 1.4969067828861875 Energy: 1.2102730285080083 Energy: 1.3095898180150516 Energy: 1.20972138851812 Energy: 1.3095898180145804 Energy: 1.2102730285080083 Energy: 1.3095898180143448 Energy: 1.1849469037687346 Energy: 1.3354264089992405 Energy: 1.2100419914305471 Energy: 1.3354264089992405 Energy: 1.1849469037682896 Energy: 1.3354264089992405 Energy: 1.209665329875278 Energy: 1.3355453366380388 Energy: 1.2106555618204748 Energy: 1.3355453366380388 Energy: 1.209665329875278 Energy: 1.3355453366380388 Energy: 1.2096093765458356 Energy: 1.495319327948095 Energy: 1.2096119133075263 Energy: 1.4953193279478854 Energy: 1.2096093765460711 Energy: 1.4953193279478854 Energy: 1.2106670478081343 Energy: 1.33551070822314 Energy: 1.2096476311307993 Energy: 1.3355107082236113 Energy: 1.2106670478081343 Energy: 1.3355107082233757 Energy: 1.2100241646236372 Energy: 1.335426851224335 Energy: 1.184937871856859 Energy: 1.3354268512238636 Energy: 1.210024164624318 Energy: 1.3354268512240992 minimum gb energy = 1.1795834235718627 eV minimum distance = 2.26535780179782 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 1.6606190183653233 Energy: 1.5072393385983456 Energy: 1.3051659522657122 Energy: 1.5072393385983456 Energy: 1.6606190183653233 Energy: 1.5072393385983456 Energy: 1.3615784967594045 Energy: 1.4513554052590165 Energy: 1.3233582081289794 Energy: 1.4513554052577218 Energy: 1.3615784967600517 Energy: 1.4720366462979388 Energy: 1.3236922041479693 Energy: 1.4896962392990027 Energy: 1.3235825902887635 Energy: 1.4896962392983553 Energy: 1.3236922041479693 Energy: 1.4896962392983553 Energy: 1.2838353035642212 Energy: 1.4622236071973902 Energy: 1.247430633093502 Energy: 1.4622236071980377 Energy: 1.2838353035642212 Energy: 1.4622236071980377 Energy: 1.2818984026990161 Energy: 1.4611482381089822 Energy: 1.2477500637909233 Energy: 1.461148238108335 Energy: 1.2818984026990161 Energy: 1.4611482381089822 Energy: 1.2595755616117117 Energy: 1.4283112701058471 Energy: 1.3231015749042982 Energy: 1.4283112701051999 Energy: 1.259575561612359 Energy: 1.4455986651039714 Energy: 1.414317860466714 Energy: 1.4753131033866382 Energy: 1.321658660605398 Energy: 1.4753131033866382 Energy: 1.414317860466714 Energy: 1.475313103385991 Energy: 1.4722195930472093 Energy: 1.4623306606314699 Energy: 1.3408494507270499 Energy: 1.4623306606314699 Energy: 1.4722195930472093 Energy: 1.4623306606314699 Energy: 1.3217323647780828 Energy: 1.417833354755812 Energy: 1.323454204678958 Energy: 1.4178333547571065 Energy: 1.32173236477873 Energy: 1.4178333547564594 Energy: 1.467377134514097 Energy: 1.4904827220682804 Energy: 1.2813105079923623 Energy: 1.4904827220689274 Energy: 1.467377134514097 Energy: 1.4904827220689274 Energy: 1.3249019177612906 Energy: 1.4555877662424692 Energy: 1.3233637487978407 Energy: 1.4555877662424692 Energy: 1.3249019177619379 Energy: 1.4555877662424692 Energy: 1.3376231109640375 Energy: 1.4623482398592367 Energy: 1.3319045333461461 Energy: 1.4623482398592367 Energy: 1.3376231109633903 Energy: 1.4623482398592367 Energy: 1.2578449474898175 Energy: 1.4091748289567534 Energy: 1.2514863044254487 Energy: 1.4091748289567534 Energy: 1.2578449474898175 Energy: 1.4091748289567534 Energy: 1.4146111313319139 Energy: 1.4911561784898038 Energy: 1.250971399943434 Energy: 1.4911561784891567 Energy: 1.4146111313319139 Energy: 1.4911561784898038 Energy: 1.339754344785689 Energy: 1.4644654954238232 Energy: 1.3247087263944444 Energy: 1.4644654954238232 Energy: 1.339754344785689 Energy: 1.4644654954238232 Energy: 1.3479455566801737 Energy: 1.447732154664524 Energy: 1.331417950886228 Energy: 1.447732154664524 Energy: 1.3479455566795262 Energy: 1.4477321546638766 Energy: 1.331172735658827 Energy: 1.4931959500656986 Energy: 1.2816537577539593 Energy: 1.4931959500656986 Energy: 1.3311727356594742 Energy: 1.4931959500663456 Energy: 1.2485547605632519 Energy: 1.4074125488970277 Energy: 1.3365190910636398 Energy: 1.4074125488970277 Energy: 1.2485547605638991 Energy: 1.4074125488970277 Energy: 1.3231530441440231 Energy: 1.4947355719181914 Energy: 1.2576030904945446 Energy: 1.4947355719181914 Energy: 1.3231530441440231 Energy: 1.4947355719181914 Energy: 1.2578077772534526 Energy: 1.5451277986485712 Energy: 1.257823329406361 Energy: 1.5451277986472767 Energy: 1.2578077772534526 Energy: 1.5396593864810877 Energy: 1.2578255568651044 Energy: 1.4947740977794508 Energy: 1.3239011682295643 Energy: 1.4947740977794508 Energy: 1.2578255568644572 Energy: 1.494774097780098 Energy: 1.336705768111001 Energy: 1.4074461088878878 Energy: 1.2488274156965449 Energy: 1.4074461088878878 Energy: 1.336705768111001 Energy: 1.4074461088878878 Energy: 1.2817775048529074 Energy: 1.4930268247627332 Energy: 1.3308316385438135 Energy: 1.4930268247627332 Energy: 1.2817775048529074 Energy: 1.4930268247627332 Energy: 1.3314157906404684 Energy: 1.4476306969340074 Energy: 1.348040387777541 Energy: 1.4476306969346546 Energy: 1.3314157906404684 Energy: 1.4476306969346546 Energy: 1.3243985578077326 Energy: 1.4644868816165775 Energy: 1.3399027765589089 Energy: 1.46448688161593 Energy: 1.3243985578077326 Energy: 1.46448688161593 Energy: 1.251051489492472 Energy: 1.4911406043312994 Energy: 1.4145872833319222 Energy: 1.491140604330652 Energy: 1.251051489492472 Energy: 1.491140604330652 Energy: 1.2515308465574757 Energy: 1.4092041821659218 Energy: 1.2578446311311613 Energy: 1.4092041821659218 Energy: 1.2515308465574757 Energy: 1.4092041821665688 Energy: 1.3316870622106893 Energy: 1.4623150087255827 Energy: 1.3377683879817528 Energy: 1.4623150087249355 Energy: 1.3316870622100418 Energy: 1.4623150087249355 Energy: 1.3234269923443842 Energy: 1.455853249076612 Energy: 1.3197887274303588 Energy: 1.4558532490759648 Energy: 1.3234269923443842 Energy: 1.4558532490759648 Energy: 1.28128034536519 Energy: 1.4906696022665542 Energy: 1.467581124735357 Energy: 1.4906696022665542 Energy: 1.28128034536519 Energy: 1.4906696022665542 Energy: 1.3378726214453782 Energy: 1.4178333547538704 Energy: 1.3202874571062109 Energy: 1.4178333547538704 Energy: 1.3378726214453782 Energy: 1.4178333547538704 Energy: 1.340913409445519 Energy: 1.4623256403442513 Energy: 1.4722192275262975 Energy: 1.462325640343604 Energy: 1.3409134094448718 Energy: 1.462325640343604 Energy: 1.3193236871819047 Energy: 1.4753150637718984 Energy: 1.5761092254517697 Energy: 1.4753150637718984 Energy: 1.3193236871812575 Energy: 1.4753150637718984 Energy: 1.323276408976882 Energy: 1.4075953289874534 Energy: 1.2595769925838014 Energy: 1.4075953289881007 Energy: 1.323276408976882 Energy: 1.4075953289881007 Energy: 1.2861336816695217 Energy: 1.4611129983199804 Energy: 1.2818989357979178 Energy: 1.4611129983199804 Energy: 1.2861336816695217 Energy: 1.4611129983199804 Energy: 1.2474007251609445 Energy: 1.4622705095443556 Energy: 1.2838219405274875 Energy: 1.4622705095443556 Energy: 1.2474007251609445 Energy: 1.4622705095443556 Energy: 1.323706702490033 Energy: 1.4896617576715612 Energy: 1.3236879659338647 Energy: 1.4896617576715612 Energy: 1.3237067024893856 Energy: 1.4896617576715612 Energy: 1.3234080303311506 Energy: 1.4513554052603108 Energy: 1.360902323057129 Energy: 1.4513554052590165 Energy: 1.3234080303311506 Energy: 1.4513554052590165 Energy: 1.3446255071444726 Energy: 1.5072393385976983 Energy: 1.6606190183653233 Energy: 1.5072393385976983 Energy: 1.3446255071451199 Energy: 1.5072393385976983 Energy: 1.3233582081283324 Energy: 1.4904315160849753 Energy: 1.361578496760699 Energy: 1.4904315160856223 Energy: 1.3233582081283324 Energy: 1.4904315160849753 Energy: 1.3235825902887635 Energy: 1.4896962392983553 Energy: 1.323692204146675 Energy: 1.4896962392983553 Energy: 1.3235825902881164 Energy: 1.4896962392983553 Energy: 1.2474306330928548 Energy: 1.4622236071980377 Energy: 1.283835303563574 Energy: 1.462223607198685 Energy: 1.247430633093502 Energy: 1.462223607198685 Energy: 1.2477500637896286 Energy: 1.4611482381089822 Energy: 1.2818984026990161 Energy: 1.4611482381089822 Energy: 1.2477500637896286 Energy: 1.4611482381089822 minimum gb energy = 1.2474007251609445 eV minimum distance = 2.24748233310551 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 1.383953523605018 Energy: 1.4167481264559054 Energy: 1.2807698918298906 Energy: 1.4167481264559054 Energy: 1.383953523605018 Energy: 1.4167481264544322 Energy: 1.129835209026593 Energy: 1.4178088053959101 Energy: 1.1594294195875765 Energy: 1.4178088053959101 Energy: 1.129835209026593 Energy: 1.4178088053959101 Energy: 1.123130928864256 Energy: 1.3764039756060547 Energy: 1.1616058942249212 Energy: 1.3764039756060547 Energy: 1.123130928864256 Energy: 1.3764039756060547 Energy: 1.1591095779497416 Energy: 1.394508052554034 Energy: 1.2304839374131558 Energy: 1.394508052554034 Energy: 1.1591095779497416 Energy: 1.394508052554034 Energy: 1.1595484494068062 Energy: 1.417306402129663 Energy: 1.1586185041172592 Energy: 1.417306402129663 Energy: 1.1595484494068062 Energy: 1.417306402129663 Energy: 1.1592158068089122 Energy: 1.3763345754357843 Energy: 1.1212010761740803 Energy: 1.3763345754357843 Energy: 1.1592158068089122 Energy: 1.3763345754357843 Energy: 1.159232147766555 Energy: 1.376360431880931 Energy: 1.1213106653428797 Energy: 1.376360431880931 Energy: 1.159232147766555 Energy: 1.376360431880931 Energy: 1.1595470858699872 Energy: 1.4172896451234047 Energy: 1.230335089815591 Energy: 1.4172896451234047 Energy: 1.1595470858699872 Energy: 1.4172896451234047 Energy: 1.1591146684590423 Energy: 1.3945176697820194 Energy: 1.1586753845482969 Energy: 1.3945176697820194 Energy: 1.1591146684590423 Energy: 1.3945176697820194 Energy: 1.123135249767737 Energy: 1.3764350748767202 Energy: 1.1614354997958936 Energy: 1.3764350748767202 Energy: 1.123135249767737 Energy: 1.3764350748767202 Energy: 1.1297861670849878 Energy: 1.4178088053944367 Energy: 1.2333635083662637 Energy: 1.4178088053944367 Energy: 1.1297861670849878 Energy: 1.4178088053944367 Energy: 1.383953523605018 Energy: 1.4167481264559054 Energy: 1.2116927836921312 Energy: 1.4167481264559054 Energy: 1.383953523605018 Energy: 1.4167481264559054 Energy: 1.129835209026593 Energy: 1.4178088053959101 Energy: 1.1594294195890498 Energy: 1.4178088053959101 Energy: 1.129835209026593 Energy: 1.4178088053959101 Energy: 1.123130928864256 Energy: 1.3764039756060547 Energy: 1.161605894223448 Energy: 1.3764039756060547 Energy: 1.123130928864256 Energy: 1.3764039756060547 Energy: 1.1591095779497416 Energy: 1.394508052554034 Energy: 1.162955840534535 Energy: 1.394508052554034 Energy: 1.1591095779497416 Energy: 1.394508052554034 Energy: 1.1595484494068062 Energy: 1.417306402129663 Energy: 1.1586185041172592 Energy: 1.417306402129663 Energy: 1.1595484494068062 Energy: 1.417306402129663 Energy: 1.1592158068103855 Energy: 1.3763345754357843 Energy: 1.1212010761755538 Energy: 1.3763345754357843 Energy: 1.1592158068089122 Energy: 1.3763345754357843 Energy: 1.159232147766555 Energy: 1.376360431880931 Energy: 1.1213106653443534 Energy: 1.376360431880931 Energy: 1.159232147766555 Energy: 1.376360431880931 Energy: 1.1595470858699872 Energy: 1.4172896451234047 Energy: 1.1629976110526061 Energy: 1.4172896451234047 Energy: 1.1595470858699872 Energy: 1.4172896451234047 minimum gb energy = 1.1212010761740803 eV minimum distance = 2.22903266611475 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 1.2068468785301405 Energy: 1.3606036103707806 Energy: 1.1792099117399772 Energy: 1.3606036103707806 Energy: 1.206846878529061 Energy: 1.3606036103707806 Energy: 1.0444030263808837 Energy: 1.305483861717416 Energy: 1.0421714104138682 Energy: 1.305483861717416 Energy: 1.0444030263808837 Energy: 1.305483861717416 Energy: 1.205621573796133 Energy: 1.282379197353388 Energy: 1.1287534197226394 Energy: 1.2823791973523084 Energy: 1.205621573796133 Energy: 1.2823791973523084 Energy: 1.0521346897658501 Energy: 1.2787971630792738 Energy: 1.0423373677318384 Energy: 1.278797163078195 Energy: 1.0521346897658501 Energy: 1.278797163078195 Energy: 1.042766057646068 Energy: 1.3606574611815248 Energy: 1.0672817626354296 Energy: 1.3606574611804456 Energy: 1.042766057647147 Energy: 1.3606574611804456 Energy: 1.0678630624411773 Energy: 1.3373441110261193 Energy: 1.0421356290181993 Energy: 1.3373441110261193 Energy: 1.0678630624411773 Energy: 1.3373441110261193 Energy: 1.0670543881413137 Energy: 1.2829597061621534 Energy: 1.042248080894789 Energy: 1.282959706161074 Energy: 1.0670543881413137 Energy: 1.282959706161074 Energy: 1.0701660922783318 Energy: 1.3618919512562544 Energy: 1.0532997167353058 Energy: 1.361891951255175 Energy: 1.0701660922772525 Energy: 1.361891951255175 Energy: 1.070133676898368 Energy: 1.3604530148587368 Energy: 1.0424273383797062 Energy: 1.3604530148576577 Energy: 1.0701336768972884 Energy: 1.3604530148576577 Energy: 1.0682499781673742 Energy: 1.2823234973017672 Energy: 1.0421512896632745 Energy: 1.2823234973006883 Energy: 1.0682499781673742 Energy: 1.2823234973006883 Energy: 1.0668132951341323 Energy: 1.3359449880422116 Energy: 1.0421780272275571 Energy: 1.3359449880411325 Energy: 1.0668132951341323 Energy: 1.3359449880422116 Energy: 1.0441441478382105 Energy: 1.3619926123984765 Energy: 1.0427277694995432 Energy: 1.3619926123995556 Energy: 1.0441441478371312 Energy: 1.3619926123995556 Energy: 1.0720124707107765 Energy: 1.2801774873955118 Energy: 1.0669408617764977 Energy: 1.2801774873955118 Energy: 1.0720124707107765 Energy: 1.2801774873955118 Energy: 1.0427549430534973 Energy: 1.282785395197125 Energy: 1.0671954615340842 Energy: 1.282785395196046 Energy: 1.0427549430534973 Energy: 1.282785395196046 Energy: 1.0443036903367124 Energy: 1.3063971353391552 Energy: 1.0422058733330795 Energy: 1.3063971353391552 Energy: 1.0443036903377918 Energy: 1.3063971353391552 Energy: 1.0537459396334552 Energy: 1.3620003575426864 Energy: 1.0745495273812606 Energy: 1.3620003575416073 Energy: 1.0537459396334552 Energy: 1.3620003575416073 Energy: 1.0519943037256092 Energy: 1.3039422307457653 Energy: 1.066733964785705 Energy: 1.3039422307468445 Energy: 1.0519943039165411 Energy: 1.3039422307468445 Energy: 1.0425866118923528 Energy: 1.2828386120661732 Energy: 1.0954333831994154 Energy: 1.2828386120661732 Energy: 1.0425866118912737 Energy: 1.2828386120661732 Energy: 1.0527675402969194 Energy: 1.2787239344851604 Energy: 1.042152045691388 Energy: 1.2787239344851604 Energy: 1.0527675402958403 Energy: 1.2787239344851604 Energy: 1.0442373972257297 Energy: 1.3614154560623397 Energy: 1.0671988046633076 Energy: 1.3614154560623397 Energy: 1.0442373972257297 Energy: 1.3614154560623397 Energy: 1.130311372390369 Energy: 1.3399952704099785 Energy: 1.0420885363120271 Energy: 1.3399952704099785 Energy: 1.130311372390369 Energy: 1.3399952704099785 Energy: 1.0683727073951461 Energy: 1.2830692054876351 Energy: 1.042509193376022 Energy: 1.2830692054865558 Energy: 1.0683727073951461 Energy: 1.2830692054865558 Energy: 1.0724908340653032 Energy: 1.3642558735464274 Energy: 1.0534030757485544 Energy: 1.3642558735464274 Energy: 1.0724908340663823 Energy: 1.3642558735464274 Energy: 1.0445038686040384 Energy: 1.3607738772160043 Energy: 1.0431993108389235 Energy: 1.3607738772160043 Energy: 1.0445038686040384 Energy: 1.3607738772160043 Energy: 1.0720109773930666 Energy: 1.2832089116157601 Energy: 1.0421273401954616 Energy: 1.2832089116157601 Energy: 1.0720109773930666 Energy: 1.2832089116157601 Energy: 1.0682885855108564 Energy: 1.336683386295782 Energy: 1.0422126989233447 Energy: 1.3366833862968615 Energy: 1.0682885855108564 Energy: 1.336683386295782 minimum gb energy = 1.0420885363120271 eV minimum distance = 2.26162192488048 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 1.3619699387724573 Energy: 1.2982574568703538 Energy: 1.149553000395699 Energy: 1.2982574568712044 Energy: 1.3619699387724573 Energy: 1.2982574568712044 Energy: 1.1907449966847483 Energy: 1.2004200927663962 Energy: 0.9538507020285222 Energy: 1.200420092767247 Energy: 1.1907449966864498 Energy: 1.200420092767247 Energy: 1.0629650052122677 Energy: 1.2449978393184435 Energy: 0.9895726041696964 Energy: 1.2449978393184435 Energy: 1.0629650052122677 Energy: 1.2449978393184435 Energy: 1.1966512118589323 Energy: 1.1679569428601713 Energy: 0.9541587124859326 Energy: 1.1679569428601713 Energy: 1.1966512118589323 Energy: 1.1679569428601713 Energy: 1.071313816867746 Energy: 1.1615612581653183 Energy: 1.0092751420005923 Energy: 1.1615612581653183 Energy: 1.0713138168685967 Energy: 1.1615612581661692 Energy: 1.2117705109749706 Energy: 1.2410876266670894 Energy: 0.9536990201698732 Energy: 1.2410876266670894 Energy: 1.2117705109749706 Energy: 1.2410876266670894 Energy: 0.9547038778387086 Energy: 1.2445515728489092 Energy: 0.9543071247713909 Energy: 1.2445515728489092 Energy: 0.9547038778387086 Energy: 1.2445515728480585 Energy: 1.2613670381840274 Energy: 1.2582211299240347 Energy: 0.9566950294041755 Energy: 1.2582211299231838 Energy: 1.2613670381840274 Energy: 1.2582211299231838 Energy: 0.9863271101212086 Energy: 1.1620397867487822 Energy: 1.1380284304344572 Energy: 1.1620397867487822 Energy: 0.9863271101212086 Energy: 1.162039786747931 Energy: 1.2200707533975692 Energy: 1.2462717351164365 Energy: 1.2045403141937934 Energy: 1.2462717351164365 Energy: 1.2200707533975692 Energy: 1.2462717351155856 Energy: 1.2194311500772657 Energy: 1.2444976895555384 Energy: 1.2325905169908116 Energy: 1.2444976895555384 Energy: 1.2194311500772657 Energy: 1.2444976895555384 Energy: 0.9890888472221285 Energy: 1.2578728420877827 Energy: 0.9566783877137433 Energy: 1.271113046911563 Energy: 0.9890888472221285 Energy: 1.2578728420877827 Energy: 0.9862130651576025 Energy: 1.2248001413575997 Energy: 1.138078337855865 Energy: 1.2248001413567489 Energy: 0.9862130651576025 Energy: 1.2248001413567489 Energy: 0.9572306767511646 Energy: 1.2462154744741967 Energy: 0.9537756423418883 Energy: 1.2462154744741967 Energy: 0.9572306767511646 Energy: 1.2462154744741967 Energy: 1.2082961752043038 Energy: 1.2456437202013897 Energy: 0.9538797292253318 Energy: 1.2456437202013897 Energy: 1.2082961752043038 Energy: 1.2456437202013897 Energy: 0.9544493316338176 Energy: 1.257702660131265 Energy: 0.9541884316919462 Energy: 1.278336408743317 Energy: 0.9544493316329669 Energy: 1.257702660131265 Energy: 1.1920704464902991 Energy: 1.2609023478924213 Energy: 1.0087050290879176 Energy: 1.2609023478924213 Energy: 1.1920704464902991 Energy: 1.2609023478924213 Energy: 0.9567112489187413 Energy: 1.2463443937411043 Energy: 0.9862958623564174 Energy: 1.2463443937411043 Energy: 0.9567112489187413 Energy: 1.2463443937411043 Energy: 1.1903854075900353 Energy: 1.1934410745435247 Energy: 0.954087121971121 Energy: 1.1934410745435247 Energy: 1.1903854075900353 Energy: 1.1934410745435247 Energy: 1.2048861460874862 Energy: 1.2572289432432735 Energy: 1.1076155710237583 Energy: 1.2782854678443445 Energy: 1.2048861460874862 Energy: 1.2572289432432735 Energy: 1.2238750730739019 Energy: 1.1971036189309578 Energy: 0.9905451708093832 Energy: 1.1971036189318083 Energy: 1.2238750730747525 Energy: 1.1971036189309578 Energy: 0.9568759729864659 Energy: 1.246214120700683 Energy: 1.0291571259418029 Energy: 1.246214120700683 Energy: 0.9568759729864659 Energy: 1.246214120700683 Energy: 1.197994124748538 Energy: 1.1650526446591147 Energy: 0.9540724000860166 Energy: 1.1650526446582643 Energy: 1.197994124748538 Energy: 1.1650526446582643 Energy: 0.9541871450139087 Energy: 1.2251805527600155 Energy: 0.9901597933880455 Energy: 1.2005744687602928 Energy: 0.9541871450139087 Energy: 1.2251805527608663 Energy: 1.09790628847538 Energy: 1.2248851786635295 Energy: 0.9536085283370559 Energy: 1.2248851786643804 Energy: 1.09790628847538 Energy: 1.2248851786643804 Energy: 0.9570275176692088 Energy: 1.2009992239755538 Energy: 0.9547091181558902 Energy: 1.1871756822299881 Energy: 0.9570275176683581 Energy: 1.2009992239755538 Energy: 1.0569063324123877 Energy: 1.2448341741538846 Energy: 0.9564664807667623 Energy: 1.2448341741530338 Energy: 1.0569063324123877 Energy: 1.2448341741530338 Energy: 0.9891687707571165 Energy: 1.2250175245770214 Energy: 1.1894833516724608 Energy: 1.2005936947607172 Energy: 0.9891687707571165 Energy: 1.2250175245761707 Energy: 1.2184088914347597 Energy: 1.2447972468456294 Energy: 1.2043728203666955 Energy: 1.244797246844779 Energy: 1.218408891433909 Energy: 1.244797246844779 Energy: 0.954314569606884 Energy: 1.0705953479430226 Energy: 1.2598523694469137 Energy: 1.1754290955631188 Energy: 0.954314569606884 Energy: 1.0705953481368924 Energy: 0.9859945113497843 Energy: 1.2447793329819417 Energy: 0.9565151426716311 Energy: 1.2447793329810908 Energy: 0.9859945113497843 Energy: 1.2447793329810908 Energy: 0.989507813119283 Energy: 1.2442506008783902 Energy: 1.1893926126285268 Energy: 1.2442506008775398 Energy: 0.989507813119283 Energy: 1.2442506008775398 Energy: 0.954033930971766 Energy: 1.2444307430778367 Energy: 0.9536151052974136 Energy: 1.2444307430769856 Energy: 0.9540339309726166 Energy: 1.2444307430769856 minimum gb energy = 0.9536085283370559 eV minimum distance = 2.25059281533692 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 1.186167093384367 Energy: 1.1138487461839175 Energy: 0.9600599930956292 Energy: 1.1138487461839175 Energy: 1.186167093384367 Energy: 1.1138487461833202 Energy: 1.6245582900252715 Energy: 0.8948224133288103 Energy: 0.8478551246659921 Energy: 0.8948224133306012 Energy: 1.6245582900246744 Energy: 0.8948224133300042 Energy: 1.1253365892678926 Energy: 1.1243247281365616 Energy: 0.9436212339615735 Energy: 1.1243247281365616 Energy: 1.1253365892672957 Energy: 1.1243247281365616 Energy: 1.4781826013029664 Energy: 0.8644422645530169 Energy: 0.8476399878522344 Energy: 0.8644422645548079 Energy: 1.4781826013035635 Energy: 0.864442264555405 Energy: 0.9235349088399349 Energy: 1.1119377899290714 Energy: 0.8685746517961727 Energy: 1.1119377899290714 Energy: 0.923534908840532 Energy: 1.1119377899290714 Energy: 1.3334463058612416 Energy: 1.0772348716468367 Energy: 0.8477910822009591 Energy: 1.0772348716462394 Energy: 1.3334463058612416 Energy: 1.0772348716462394 Energy: 0.9160753065531387 Energy: 1.0757909370661614 Energy: 0.8527858697442904 Energy: 1.0757909370661614 Energy: 0.9160753065531387 Energy: 1.0757909370661614 Energy: 1.1819942783415254 Energy: 1.0795382037732708 Energy: 0.8444957414492943 Energy: 1.0795382037732708 Energy: 1.1819942783421225 Energy: 1.0795382037732708 Energy: 0.8460334707562764 Energy: 1.1062372235232716 Energy: 1.0190004737189053 Energy: 1.1062372235232716 Energy: 0.8460334707568735 Energy: 1.1062372235238689 Energy: 1.0311207552799702 Energy: 1.097800381802352 Energy: 1.0200991029122082 Energy: 1.097800381802895 Energy: 1.0311207552799702 Energy: 1.097800381802895 Energy: 0.8481248872659404 Energy: 1.076012863766336 Energy: 1.029814110494518 Energy: 1.076012863766336 Energy: 0.8481248872659404 Energy: 1.076012863766336 Energy: 1.3443712034499995 Energy: 1.1142396983626628 Energy: 1.0532921398466553 Energy: 1.1142396983626628 Energy: 1.3443712034499995 Energy: 1.1142396983626628 Energy: 1.0224969206269543 Energy: 1.1060457911766088 Energy: 1.33004895514801 Energy: 1.1060457911766088 Energy: 1.0224969206269543 Energy: 1.1060457911766088 Energy: 1.0402396513366963 Energy: 1.1134770931973663 Energy: 1.3389319899214716 Energy: 1.11347709319856 Energy: 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1.1149184057860797 Energy: 1.0229378630247887 Energy: 1.0946826854348413 Energy: 1.0189603295896292 Energy: 1.0946826854348413 Energy: 1.0229378630247887 Energy: 1.0946826854348413 Energy: 0.8449186527530024 Energy: 1.1130845290526636 Energy: 0.847788207715711 Energy: 1.1130845290526636 Energy: 0.8449186527541963 Energy: 1.1130845290526636 Energy: 1.3388665208002386 Energy: 1.1041560408886668 Energy: 0.852897332654378 Energy: 1.1041560408904036 Energy: 1.3388665208008355 Energy: 1.1041560408910005 Energy: 0.8542029464469938 Energy: 1.1149761207626505 Energy: 0.8477859459367239 Energy: 1.1149761207632476 Energy: 0.8542029464469938 Energy: 1.1149761207626505 Energy: 1.3353934390268483 Energy: 1.095434684627522 Energy: 1.0265877155351928 Energy: 1.0954346846281189 Energy: 1.335393439025654 Energy: 1.0954346846281189 Energy: 1.0341025836095996 Energy: 1.1129868840492587 Energy: 0.8639155371910977 Energy: 1.1129868840492587 Energy: 1.0341025836072117 Energy: 1.1129868840492587 Energy: 1.6231837726731797 Energy: 0.8675323019495351 Energy: 0.8526509460660031 Energy: 0.8675323019501321 Energy: 1.6231837726731797 Energy: 0.8675323019507292 Energy: 1.0610397553130957 Energy: 1.1145401955928451 Energy: 1.0359609205518003 Energy: 1.1145401955928451 Energy: 1.0610397553107076 Energy: 1.1145401955934422 Energy: 1.3318021949507763 Energy: 1.0855834105789188 Energy: 1.0253568852022374 Energy: 1.085583410578322 Energy: 1.3318021949507763 Energy: 1.085583410578322 Energy: 1.0340161013718203 Energy: 1.1126893835544613 Energy: 1.0619018541142518 Energy: 1.1126893835538645 Energy: 1.034016101372417 Energy: 1.1126893835538645 Energy: 1.3384868821028437 Energy: 0.8673958154134895 Energy: 0.8521697551839564 Energy: 0.8673958154134895 Energy: 1.3384868821022466 Energy: 0.8673958154134895 Energy: 0.8542055841153569 Energy: 1.0961421616611462 Energy: 0.9508272786612316 Energy: 1.0961421616617435 Energy: 0.8542055841153569 Energy: 1.0961421616617435 Energy: 1.1799935473957615 Energy: 1.0735500419443287 Energy: 0.8505999165031338 Energy: 1.0735500419443287 Energy: 1.1799935473957615 Energy: 1.0735500419443287 Energy: 0.8448223919044497 Energy: 1.0779486446223705 Energy: 1.19336783970869 Energy: 1.0779486446223705 Energy: 0.8448223919044497 Energy: 1.0779486446223705 Energy: 1.194072791269503 Energy: 1.0779546126373674 Energy: 0.8445490320605323 Energy: 1.0779546126379647 Energy: 1.1940727912689064 Energy: 1.0779546126379647 Energy: 0.8505806693925902 Energy: 1.0737514882005543 Energy: 1.1794056998494173 Energy: 1.0737514882011512 Energy: 0.8505806693925902 Energy: 1.0737514882011512 Energy: 0.9507302515185666 Energy: 1.0961503999346356 Energy: 0.854301421172909 Energy: 1.0961503999358295 Energy: 0.9507302515185666 Energy: 1.0961503999358295 Energy: 0.8521527573354412 Energy: 0.8651225857199605 Energy: 1.334688040889333 Energy: 0.8651225857175725 Energy: 0.8521527573360381 Energy: 0.8651225857169755 Energy: 1.0619018541118639 Energy: 1.1126762464965538 Energy: 1.0338646814658596 Energy: 1.1126762464971511 Energy: 1.0619018541124607 Energy: 1.1126762464965538 Energy: 0.938640279209335 Energy: 1.085475798881904 Energy: 1.332104326584409 Energy: 1.0854757988825008 Energy: 0.938640279208738 Energy: 1.085475798881904 Energy: 1.0360383969736688 Energy: 1.1145207769867118 Energy: 1.0793842296921765 Energy: 1.1145207769861145 Energy: 1.036038396971281 Energy: 1.1145207769861145 Energy: 0.852688542340224 Energy: 0.8663569597573267 Energy: 1.6231435424362857 Energy: 0.8663569597567297 Energy: 0.852688542340224 Energy: 0.8663569597573267 Energy: 0.864072275001235 Energy: 1.112961110180608 Energy: 1.0342095830234581 Energy: 1.112961110180608 Energy: 0.864072275000638 Energy: 1.112961110180608 Energy: 0.9391108343497827 Energy: 1.095482577259836 Energy: 1.3364353307039132 Energy: 1.095482577259836 Energy: 0.9391108343497827 Energy: 1.095482577259836 Energy: 0.8479659629514255 Energy: 1.1149622431791195 Energy: 0.8546539037444201 Energy: 1.1149622431791195 Energy: 0.8479659629508285 Energy: 1.1149622431791195 Energy: 0.8528923744228987 Energy: 1.1041560408904036 Energy: 1.3388253803716383 Energy: 1.1041560408898063 Energy: 0.8528923744234956 Energy: 1.1041560408898063 Energy: 0.847722698908054 Energy: 1.1130939154118251 Energy: 0.8449225991577333 Energy: 1.1130939154118251 Energy: 0.847722698907457 Energy: 1.1130939154118251 minimum gb energy = 0.8444957414492943 eV minimum distance = 2.2836784607927 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 0.8810292584360828 Energy: 0.2580572386524614 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 0.26382254130964744 Energy: 0.8032986792778676 Energy: 0.6270826638113541 Energy: 0.8032986792778676 Energy: 0.26382254130964744 Energy: 0.8032986792778676 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 0.8810292584360828 Energy: 0.2580572386524614 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 0.26382254130964744 Energy: 0.8032986792778676 Energy: 0.6270826638249107 Energy: 0.8032986792778676 Energy: 0.26382254130964744 Energy: 0.8032986792778676 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 1.3443147110778941 Energy: 0.2580572386524614 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 0.26382254130964744 Energy: 0.8032986792782756 Energy: 0.6270826638982928 Energy: 0.8032986792778676 Energy: 0.26382254130964744 Energy: 0.8032986792778676 Energy: 0.25737680110135736 Energy: 0.25805723865282415 Energy: 1.4594526581776675 Energy: 0.2580572386524614 Energy: 0.25737680110135736 Energy: 0.25805723865282415 minimum gb energy = 0.25737680110135736 eV minimum distance = 2.43368883269638 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 1.3872738710750345 Energy: 1.0877801008237646 Energy: 0.9771623705136356 Energy: 1.0877801008237646 Energy: 1.3872738710755774 Energy: 1.0877801008237646 Energy: 1.5744876999476334 Energy: 0.8547327163409572 Energy: 0.8386129267802859 Energy: 0.8547327163404143 Energy: 1.5744876999487194 Energy: 0.8547327163404143 Energy: 1.3617752735964554 Energy: 1.0993596545433022 Energy: 0.967704610798251 Energy: 1.0993596545438455 Energy: 1.3617752735991704 Energy: 1.0993596545433022 Energy: 1.4289043846699772 Energy: 0.8611366490062443 Energy: 0.8385382031171308 Energy: 0.8611366490057013 Energy: 1.4289043846699772 Energy: 0.8611366490057013 Energy: 1.0990178339804115 Energy: 0.8560382460391638 Energy: 0.8932020039808541 Energy: 0.856038246037535 Energy: 1.0990178339804115 Energy: 0.856038246038621 Energy: 1.298099859085188 Energy: 0.8461030779427119 Energy: 0.8388108606962965 Energy: 0.8461030779399971 Energy: 1.2980998590846944 Energy: 0.846103077941083 Energy: 1.1423900307315278 Energy: 0.8477368940336397 Energy: 0.9397916933615003 Energy: 0.8477368940347255 Energy: 1.1423900307315278 Energy: 0.8477368940330967 Energy: 1.1680749960592673 Energy: 1.0678928437498505 Energy: 0.8469174307330949 Energy: 1.0678928437498505 Energy: 1.1680749960592673 Energy: 1.0678928437498505 Energy: 0.8581676933416195 Energy: 0.8331932037190852 Energy: 1.1111102976256582 Energy: 0.8331932037190852 Energy: 0.8581676933416195 Energy: 0.8331932037190852 Energy: 1.0424327244882046 Energy: 1.0620678239764902 Energy: 1.0380866932399984 Energy: 1.0620678239770334 Energy: 1.0424327244882046 Energy: 1.0620678239770334 Energy: 0.8508368027606775 Energy: 0.8455330490475178 Energy: 1.1800494672716026 Energy: 0.8455330490480607 Energy: 0.8508368027606775 Energy: 0.8455330490469748 Energy: 1.0592695022494714 Energy: 1.088186150001766 Energy: 1.0610977106464579 Energy: 1.088186150001766 Energy: 1.0592695022494714 Energy: 1.0832336754013099 Energy: 0.8322563338235154 Energy: 0.8348653219930021 Energy: 1.3789885280368446 Energy: 0.834865321993545 Energy: 0.8322563338235154 Energy: 0.8348653219930021 Energy: 1.05930093401831 Energy: 1.0942296870950026 Energy: 1.3099321195310132 Energy: 1.0942296870944597 Energy: 1.05930093401831 Energy: 1.0942296870944597 Energy: 0.8361523404837394 Energy: 0.9304768463901096 Energy: 1.4552565496342844 Energy: 0.9304768463890237 Energy: 0.8361523404831965 Energy: 0.9304768463890237 Energy: 0.8464553356538672 Energy: 1.0931769047896003 Energy: 1.3349769029295926 Energy: 1.0931769047885143 Energy: 0.8464553356533242 Energy: 1.0931769047885143 Energy: 0.832252771133669 Energy: 0.8499306470815297 Energy: 1.3792226238280847 Energy: 0.8499306470788149 Energy: 0.8322527711342119 Energy: 0.8499306470771861 Energy: 0.8468578511086206 Energy: 1.0945088445570816 Energy: 1.3097680279447543 Energy: 1.0945088445576245 Energy: 0.8468578511091635 Energy: 1.0945088445576245 Energy: 0.8362259548062446 Energy: 1.085993488814713 Energy: 1.2963354410101764 Energy: 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1.04280499672979 Energy: 1.0945678131737027 Energy: 1.0641470350754205 Energy: 1.0943018122586383 Energy: 0.838796171683608 Energy: 1.094301812260267 Energy: 1.0641470350754205 Energy: 1.094301812260267 Energy: 1.3032938240018088 Energy: 1.0916161767041348 Energy: 0.8394215221522856 Energy: 1.0916161767041348 Energy: 1.3032938240012657 Energy: 1.0916161767041348 Energy: 1.3097701890311182 Energy: 1.0943963001241999 Energy: 0.8384654135707417 Energy: 1.0943963001241999 Energy: 1.3097701890305753 Energy: 1.1000595139695366 Energy: 1.3177956741819945 Energy: 1.0893798555287495 Energy: 0.9938368647956975 Energy: 1.0893798555282066 Energy: 1.3177956741814516 Energy: 1.0893798555287495 Energy: 1.349177208393737 Energy: 1.0939881324632168 Energy: 0.8428918950291071 Energy: 1.09398813246376 Energy: 1.34917720839428 Energy: 1.09398813246376 Energy: 1.4519093263969034 Energy: 1.0900396283403528 Energy: 0.8392899715926407 Energy: 1.090039628339267 Energy: 1.4519093263963603 Energy: 1.0900396283403528 Energy: 1.3098958593883576 Energy: 1.095311715520971 Energy: 1.054031526054339 Energy: 1.095311715520971 Energy: 1.3098958593878145 Energy: 1.095311715520971 Energy: 1.3180604109053233 Energy: 1.0698184387638752 Energy: 0.8351741026770729 Energy: 1.0698184387638752 Energy: 1.3180604109058662 Energy: 1.0698184387638752 Energy: 1.0642500287838963 Energy: 1.0872342921916307 Energy: 0.8422414986407294 Energy: 1.0872342921910878 Energy: 1.0642500287838963 Energy: 1.0872342921910878 Energy: 1.3032622731283996 Energy: 1.094176131934441 Energy: 0.8419278471578933 Energy: 1.0941761319338978 Energy: 1.3032622731283996 Energy: 1.0941761319338978 Energy: 1.0461102697165399 Energy: 1.062235770469425 Energy: 1.0356082327007905 Energy: 1.0622357704677963 Energy: 1.0461102697165399 Energy: 1.0622357704683392 Energy: 1.0432565639910811 Energy: 1.0689257316012812 Energy: 0.8564771322759472 Energy: 1.0689257316007381 Energy: 1.043256563990538 Energy: 1.0689257316007381 Energy: 0.8417469933114896 Energy: 1.0677821883983132 Energy: 1.0309180017324517 Energy: 1.0677821883983132 Energy: 0.8417469933109466 Energy: 1.0677821883983132 Energy: 1.0362634621130902 Energy: 1.0963680605091615 Energy: 1.0424418349297455 Energy: 1.0963680605097044 Energy: 1.0362634621130902 Energy: 1.0963680605097044 Energy: 0.8328263451481739 Energy: 0.8502701561140306 Energy: 1.293125325527537 Energy: 0.8502701561140306 Energy: 0.8328263451481739 Energy: 0.8502701561140306 Energy: 0.8326410188922267 Energy: 1.0688915644247414 Energy: 1.0606279985422564 Energy: 1.0688915644241983 Energy: 0.832641018891684 Energy: 1.0688915644241983 Energy: 0.8468634941758478 Energy: 1.0296932846035904 Energy: 1.2964648486947281 Energy: 1.0296932846030475 Energy: 0.8468634941758478 Energy: 1.0296932846030475 Energy: 0.8360103443147799 Energy: 1.0963030309660555 Energy: 1.3096897211021477 Energy: 1.0963030309655126 Energy: 0.8360103443147799 Energy: 1.0963030309655126 Energy: 0.8329497462357522 Energy: 0.8527700954868916 Energy: 1.4405840246637418 Energy: 0.8527700954868916 Energy: 0.8329497462357522 Energy: 0.8527700954874345 Energy: 0.8471328992578229 Energy: 1.1133199192223548 Energy: 1.3355626364746722 Energy: 1.1133199192228977 Energy: 0.8471328992578229 Energy: 1.1133199192223548 Energy: 0.8469343064587392 Energy: 0.8645254934652912 Energy: 1.4536008958499047 Energy: 0.864525493465834 Energy: 0.8469343064587392 Energy: 0.86452549346692 Energy: 0.8616457151735549 Energy: 1.096254328077532 Energy: 1.3099887464215456 Energy: 1.096254328077532 Energy: 0.8616457151740977 Energy: 1.096254328077532 Energy: 0.8330874189099401 Energy: 0.8474767644743346 Energy: 1.4402465700847875 Energy: 0.8474767644737917 Energy: 0.8330874189099401 Energy: 0.8474767644737917 Energy: 0.8469076135131721 Energy: 1.0688105041549734 Energy: 1.0602931154980946 Energy: 1.0688105041544307 Energy: 0.8469076135137151 Energy: 1.0688105041549734 Energy: 0.850874323810147 Energy: 0.8393180197871863 Energy: 1.1767577133879494 Energy: 0.8393180197877291 Energy: 0.850874323810147 Energy: 0.8393180197877291 Energy: 1.044061004396703 Energy: 1.0631534877637918 Energy: 1.0434455432785041 Energy: 1.063153487763249 Energy: 1.044061004396703 Energy: 1.063153487763249 minimum gb energy = 0.8321828890950256 eV minimum distance = 2.27584988077347 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 1.459455833974083 Energy: 1.0430926582447682 Energy: 1.0731827260444426 Energy: 1.043092658241042 Energy: 1.459455833974083 Energy: 1.0430926582432778 Energy: 1.3240284307741585 Energy: 0.952378421398466 Energy: 0.9275863548253604 Energy: 0.952378421398466 Energy: 1.3240284307749037 Energy: 0.9523784213977207 Energy: 1.4068901336566826 Energy: 1.2444438458353895 Energy: 1.1652666417592712 Energy: 1.2444438458346443 Energy: 1.4068901336566826 Energy: 1.2444438458346443 Energy: 1.3085861755556987 Energy: 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1.3375210683289858 Energy: 1.2358044111782946 Energy: 1.0303422853892032 Energy: 1.2358044111782946 Energy: 0.9306543291865467 Energy: 0.9284556094298202 Energy: 1.235442941836275 Energy: 0.9284556094298202 Energy: 0.930654329187292 Energy: 0.9284556094298202 Energy: 0.9362327801285747 Energy: 1.2425066775827591 Energy: 1.283440804983687 Energy: 1.2425066775827591 Energy: 0.9362327801293198 Energy: 1.2425066775827591 Energy: 0.9225503702704051 Energy: 0.9367064317871583 Energy: 1.2287071085521981 Energy: 0.9367064317946102 Energy: 0.9225503702704051 Energy: 0.936706431793865 Energy: 1.0010380230650864 Energy: 1.2354782477791173 Energy: 1.3372216250664142 Energy: 1.2354782477783723 Energy: 1.0010380230650864 Energy: 1.2354782477783723 Energy: 1.0008277172766586 Energy: 0.9449538528500936 Energy: 1.3082218294028494 Energy: 0.9449538528508387 Energy: 1.0008277172759132 Energy: 0.9449538528493483 Energy: 1.0037713556929617 Energy: 1.242859452013406 Energy: 1.0478798911930376 Energy: 1.242859452013406 Energy: 1.0037713556937067 Energy: 1.242859452013406 Energy: 1.0034146205407095 Energy: 0.9314319033740979 Energy: 1.221018679733634 Energy: 0.9314319033666458 Energy: 1.0034146205407095 Energy: 0.9314319033569923 Energy: 1.3086182102826192 Energy: 1.2225399629517228 Energy: 1.0173426325746184 Energy: 1.2225399629517228 Energy: 1.3086182102826192 Energy: 1.2225399629517228 Energy: 1.3080967760356967 Energy: 1.2384147348257273 Energy: 1.002622637320435 Energy: 1.2384147348272179 Energy: 1.3080967760356967 Energy: 1.2384147348272179 Energy: 1.3351393133529033 Energy: 1.2431292697380951 Energy: 0.9356799168665195 Energy: 1.2431292697366045 Energy: 1.3351393133529033 Energy: 1.24312926973735 Energy: 1.3352650578221552 Energy: 1.2358347523601354 Energy: 1.159343800752383 Energy: 1.2358347523601354 Energy: 1.3352650578221552 Energy: 1.2358347523601354 Energy: 1.3339522518208562 Energy: 0.9415680944899613 Energy: 0.9317243912489911 Energy: 0.9415680944921969 Energy: 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1.030342285388458 Energy: 1.2359131338266338 Energy: 1.3400807143178133 Energy: 1.2359131338251437 Energy: 1.030342285388458 Energy: 1.2359131338251437 Energy: 0.9339393548088006 Energy: 0.9232303050997123 Energy: 1.3086581483323263 Energy: 0.9232303051012025 Energy: 0.9339393548095458 Energy: 0.9232303051004573 Energy: 1.0134845382979742 Energy: 0.9354534490470138 Energy: 1.0340664768406556 Energy: 0.9354534490470138 Energy: 1.0134845382979742 Energy: 0.935453449047759 Energy: 1.0494274320724437 Energy: 0.9299598232971519 Energy: 1.1608651001101276 Energy: 0.9299598232964066 Energy: 1.0494274320724437 Energy: 0.9299598232956615 minimum gb energy = 0.9224735605700067 eV minimum distance = 2.29809673026274 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 1.5493168169227813 Energy: 1.3442408391375251 Energy: 1.1870908157832438 Energy: 1.3442408391375251 Energy: 1.5493168169227813 Energy: 1.3442408391375251 Energy: 1.3602407614357441 Energy: 1.0498776474653817 Energy: 0.9881156439751181 Energy: 1.0498776474653817 Energy: 1.3602407614348286 Energy: 1.0498776474653817 Energy: 1.0531440997531745 Energy: 0.9850944206441374 Energy: 1.1465265477776223 Energy: 0.9850944206441374 Energy: 1.0531440997531745 Energy: 0.9850944206441374 Energy: 1.362990455979219 Energy: 0.9899469816129136 Energy: 0.9879603441004942 Energy: 0.9899469816129136 Energy: 1.362990455979219 Energy: 0.9899469816129136 Energy: 1.0055499408667186 Energy: 0.9873863103562174 Energy: 1.1043430154435567 Energy: 0.9873863103553021 Energy: 1.0055499408667186 Energy: 0.9873863103553021 Energy: 1.0064201465873421 Energy: 0.9874530487824748 Energy: 0.9871045305437199 Energy: 0.9874530487815595 Energy: 1.0064201465873421 Energy: 0.9874530487824748 Energy: 0.9847762368239409 Energy: 0.9856935285065301 Energy: 1.1870347871732705 Energy: 0.9856935285065301 Energy: 0.9847762368239409 Energy: 0.9856935285065301 Energy: 1.0670703466054217 Energy: 0.9903722992174651 Energy: 1.0366144377353566 Energy: 0.9903722992183803 Energy: 1.0670703466054217 Energy: 0.9903722992183803 Energy: 0.9869966616117466 Energy: 0.9885307059199706 Energy: 1.2849638815535611 Energy: 0.988530705920886 Energy: 0.9869966616117466 Energy: 0.988530705920886 Energy: 1.011052238206646 Energy: 1.331145989143792 Energy: 1.4035014918948958 Energy: 1.3311459891428765 Energy: 1.011052238206646 Energy: 1.3311459891428765 Energy: 0.9848596254103816 Energy: 1.3243576826499288 Energy: 1.1741262755689172 Energy: 1.3243576826499288 Energy: 0.9848596254103816 Energy: 1.3243576826499288 Energy: 0.9872513145604579 Energy: 0.9850559673525273 Energy: 1.036400562841408 Energy: 0.9850559673534427 Energy: 0.9872513145604579 Energy: 0.985055967354358 Energy: 0.9868925078209867 Energy: 0.9874947177306068 Energy: 1.27813756288942 Energy: 0.9874947177306068 Energy: 0.9868925078209867 Energy: 0.9874947177306068 Energy: 0.9860184179236183 Energy: 1.3298487865376025 Energy: 0.9871509672516329 Energy: 1.3298487865376025 Energy: 0.9860184179236183 Energy: 1.3298487865376025 Energy: 0.9849935710802151 Energy: 0.98749841085611 Energy: 0.9951284287039656 Energy: 0.98749841085611 Energy: 0.9849935710802151 Energy: 0.98749841085611 Energy: 1.3596742191907478 Energy: 0.9872285221248848 Energy: 0.9879585715207599 Energy: 0.9872285221239903 Energy: 1.3596742191916633 Energy: 0.9872285221239903 Energy: 1.3599495851046566 Energy: 0.9850883840047734 Energy: 1.2905506865205645 Energy: 0.985088384003858 Energy: 1.3599495851046566 Energy: 0.985088384003858 Energy: 1.407953833655796 Energy: 1.3318277941688526 Energy: 0.9915898588913358 Energy: 1.3318277941688526 Energy: 1.407953833655796 Energy: 1.3318277941688526 Energy: 1.404686788474314 Energy: 1.3292153374670423 Energy: 0.9946751766123724 Energy: 1.3292153374670423 Energy: 1.404686788474314 Energy: 1.3292153374679576 Energy: 1.35972443504361 Energy: 1.346090545830501 Energy: 0.9876692500156692 Energy: 1.346090545830501 Energy: 1.35972443504361 Energy: 1.3460905458314165 Energy: 1.3597304135333674 Energy: 1.3723452250108141 Energy: 0.9871011609996527 Energy: 1.3723452250108141 Energy: 1.3597304135333674 Energy: 1.3723452250108141 Energy: 0.9856551124363251 Energy: 0.9871603607205547 Energy: 0.9917899684685519 Energy: 0.9871603607205547 Energy: 0.9856551124363251 Energy: 0.9871603607205547 Energy: 0.9854006325320289 Energy: 1.3294955426584851 Energy: 0.986596317653372 Energy: 1.3294955426584851 Energy: 0.9854006325311135 Energy: 1.3294955426584851 Energy: 0.9874186088701837 Energy: 1.3237280198370205 Energy: 0.9890917312651166 Energy: 1.3237280198370205 Energy: 0.9874186088701837 Energy: 1.3237280198370205 Energy: 0.986789323569571 Energy: 1.3721341209246602 Energy: 1.0377167159522647 Energy: 1.3721341209237452 Energy: 0.986789323569571 Energy: 1.3721341209246602 Energy: 0.9852594405358864 Energy: 1.3241722088852192 Energy: 1.360319215224522 Energy: 1.3241722088852192 Energy: 0.9852594405358864 Energy: 1.3241722088852192 Energy: 0.9871077513754996 Energy: 1.3293517487223014 Energy: 1.4038960661431097 Energy: 1.3293517487223014 Energy: 0.9871077513754996 Energy: 1.3293517487223014 Energy: 0.9875851538434993 Energy: 1.312738115664884 Energy: 1.2306016748300532 Energy: 1.312738115664884 Energy: 0.9875851538434993 Energy: 1.312738115664884 Energy: 1.047830285647129 Energy: 0.9928121227390222 Energy: 1.0375389436977123 Energy: 0.9928121227390222 Energy: 1.047830285647129 Energy: 0.9928121227390222 Energy: 0.9852130626710968 Energy: 0.9861891144524814 Energy: 1.1736492797227787 Energy: 0.9861891144524814 Energy: 0.9852130626710968 Energy: 0.9861891144524814 Energy: 0.9971641392122998 Energy: 0.9876226604910774 Energy: 0.9862660332107004 Energy: 0.9876226604910774 Energy: 0.9971641392122998 Energy: 0.987622660490162 minimum gb energy = 0.9847762368239409 eV minimum distance = 2.30058595635215 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 1.1583928415941214 Energy: 1.4492668809734526 Energy: 1.3112905556360093 Energy: 1.4492668809734526 Energy: 1.1583928415929365 Energy: 1.4492668809734526 Energy: 1.0796643688792036 Energy: 1.150269292725154 Energy: 1.072188137262449 Energy: 1.1502692927239688 Energy: 1.0796643688803886 Energy: 1.1502692927239688 Energy: 1.0804976683917977 Energy: 1.4536854982143226 Energy: 1.2402023128916126 Energy: 1.4536854982143226 Energy: 1.0804976683917977 Energy: 1.4536854982143226 Energy: 1.0770361410517035 Energy: 1.0661849892743218 Energy: 1.0715917707569134 Energy: 1.066184989275507 Energy: 1.077036141050518 Energy: 1.066184989275507 Energy: 1.0676119118316207 Energy: 1.087786603543896 Energy: 1.2387525685593583 Energy: 1.087786603543896 Energy: 1.0676119118316207 Energy: 1.087786603543896 Energy: 1.0772398780312138 Energy: 1.0650974912288054 Energy: 1.0755001817947478 Energy: 1.0650974912299904 Energy: 1.0772398780323988 Energy: 1.0650974912288054 Energy: 1.0658249918030658 Energy: 1.0662847007989122 Energy: 1.0809320636447735 Energy: 1.0662847007989122 Energy: 1.0658249918030658 Energy: 1.0662847007989122 Energy: 1.0761997712981917 Energy: 1.070967039513155 Energy: 1.1533663553719657 Energy: 1.070967039513155 Energy: 1.0761997712993767 Energy: 1.070967039513155 Energy: 1.0680202527537255 Energy: 1.1491009540752253 Energy: 1.2196386194181952 Energy: 1.1491009540752253 Energy: 1.0680202527537255 Energy: 1.1491009540752253 Energy: 1.0672729068998328 Energy: 1.438544747903345 Energy: 1.0757567962621073 Energy: 1.438544747903345 Energy: 1.0672729068998328 Energy: 1.438544747903345 Energy: 1.0646798735653291 Energy: 1.0650750716331596 Energy: 1.0658337868096703 Energy: 1.0650750716331596 Energy: 1.0646798735653291 Energy: 1.0650750716331596 Energy: 1.0702528157895763 Energy: 1.0682823621108959 Energy: 1.071927138033833 Energy: 1.068282362112081 Energy: 1.0702528157895763 Energy: 1.0682823621108959 Energy: 1.0682802881799625 Energy: 1.0697479560057164 Energy: 1.1382744707215497 Energy: 1.0697479560069016 Energy: 1.0682802881799625 Energy: 1.0697479560069016 Energy: 1.069171244576791 Energy: 1.4478148107864053 Energy: 1.0672559421754781 Energy: 1.4478148107864053 Energy: 1.069171244576791 Energy: 1.4478148107864053 Energy: 1.0688731143416232 Energy: 1.069851222663961 Energy: 1.0812212163709383 Energy: 1.0698512226627759 Energy: 1.0688731143416232 Energy: 1.0698512226627759 Energy: 1.0695627582774934 Energy: 1.4582874021236494 Energy: 1.072011339979829 Energy: 1.4582874021236494 Energy: 1.0695627582774934 Energy: 1.4582874021236494 Energy: 1.068776489661015 Energy: 1.0679826971775004 Energy: 1.0647094088454854 Energy: 1.0679826971775004 Energy: 1.068776489661015 Energy: 1.0679826971775004 Energy: 1.0675931576598643 Energy: 1.1009874715481427 Energy: 1.0676170216293024 Energy: 1.1009874715469572 Energy: 1.0675931576586792 Energy: 1.1009874715481427 Energy: 1.0647013423210028 Energy: 1.0694117236353207 Energy: 1.0688007018521464 Energy: 1.0694117236353207 Energy: 1.0647013423210028 Energy: 1.0694117236353207 Energy: 1.0720775351095044 Energy: 1.4582856391087458 Energy: 1.0695627004182662 Energy: 1.4582856391087458 Energy: 1.0720775351083192 Energy: 1.4582856391087458 Energy: 1.081165444939417 Energy: 1.0696909094608553 Energy: 1.066928885184653 Energy: 1.0696909094620404 Energy: 1.081165444939417 Energy: 1.0696909094608553 Energy: 1.067226750571533 Energy: 1.066655434458718 Energy: 1.0692613430108233 Energy: 1.066655434458718 Energy: 1.067226750571533 Energy: 1.066655434458718 Energy: 1.1492467881882018 Energy: 1.0696366586615724 Energy: 1.0682844608186701 Energy: 1.0696366586627575 Energy: 1.1492467881870434 Energy: 1.0696366586532762 Energy: 1.0719356719766446 Energy: 1.0683117002258227 Energy: 1.0702568957155933 Energy: 1.0683117002258227 Energy: 1.07193567197783 Energy: 1.068311700227008 minimum gb energy = 1.0646798735653291 eV minimum distance = 2.29615371919772 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 1.1596759885261838 Energy: 1.158446434917031 Energy: 1.6913523442788652 Energy: 1.158446434917031 Energy: 1.1596759885261838 Energy: 1.158446434917031 Energy: 1.1771714240844198 Energy: 1.148902920862346 Energy: 1.1493354320051201 Energy: 1.148902920862346 Energy: 1.1771714240844198 Energy: 1.148902920862346 Energy: 1.1509559318359492 Energy: 1.15109165354735 Energy: 1.3458962018102734 Energy: 1.1510916535490263 Energy: 1.1509559318359492 Energy: 1.15109165354735 Energy: 1.174894379152697 Energy: 1.1492258291791269 Energy: 1.1493671305489044 Energy: 1.1492258291774506 Energy: 1.174894379152697 Energy: 1.1492258291774506 Energy: 1.1477751583905433 Energy: 1.1483830099336927 Energy: 1.1505667104986097 Energy: 1.1483830099336927 Energy: 1.1477751583905433 Energy: 1.1483830099336927 Energy: 1.148981904801417 Energy: 1.1586082422163857 Energy: 1.1600019858303146 Energy: 1.1586082422147097 Energy: 1.148981904801417 Energy: 1.1586082422147097 Energy: 1.152734023214706 Energy: 1.3252637983350568 Energy: 1.1805478457691225 Energy: 1.3252637983350568 Energy: 1.152734023214706 Energy: 1.3252637983333808 Energy: 1.1485271917292785 Energy: 1.435751263439649 Energy: 1.1494621157602156 Energy: 1.435751263439649 Energy: 1.1485271917292785 Energy: 1.435751263439649 Energy: 1.147813548920431 Energy: 1.1481116967552896 Energy: 1.3246657427227844 Energy: 1.1481116967552896 Energy: 1.147813548920431 Energy: 1.1481116967552896 Energy: 1.1594079619785003 Energy: 1.131504874393799 Energy: 1.1494446843899413 Energy: 1.131504874393799 Energy: 1.1594079619785003 Energy: 1.131504874393799 Energy: 1.1615500505653489 Energy: 1.1509949237479864 Energy: 1.157344909074257 Energy: 1.1509949237479864 Energy: 1.1615500505653489 Energy: 1.1509949237463104 Energy: 1.1483227013609698 Energy: 1.1512497912849666 Energy: 1.1547103444748779 Energy: 1.1512497912832906 Energy: 1.1483227013609698 Energy: 1.1512497912832906 Energy: 1.148014609066193 Energy: 1.2962386185779469 Energy: 1.1540475563957444 Energy: 1.2962386185779469 Energy: 1.148014609066193 Energy: 1.2962386185779469 Energy: 1.1485185753893363 Energy: 1.1486938972839014 Energy: 1.1496152435576104 Energy: 1.1486938972839014 Energy: 1.1485185753893363 Energy: 1.1486938972839014 Energy: 1.1530207285079541 Energy: 1.4157734795759014 Energy: 1.1602794891932418 Energy: 1.4157734795759014 Energy: 1.1530207285079541 Energy: 1.4157734795759014 Energy: 1.1540336205310067 Energy: 1.1491095958939124 Energy: 1.1601366221149678 Energy: 1.1491095958939124 Energy: 1.1540336205310067 Energy: 1.1491095958955884 Energy: 1.157927446322997 Energy: 1.1496323717263388 Energy: 1.1483144111245647 Energy: 1.1496323717263388 Energy: 1.157927446322997 Energy: 1.1496323717263388 minimum gb energy = 1.131504874393799 eV minimum distance = 2.27690470443637 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 1.7076121729144114 Energy: 1.5567690827731193 Energy: 1.3050911591386767 Energy: 1.5567690827718248 Energy: 1.7076121729150586 Energy: 1.5567690827718248 Energy: 1.4151982171012312 Energy: 1.149092078647207 Energy: 1.1356495317273068 Energy: 1.149092078647207 Energy: 1.4151982171018787 Energy: 1.149092078647207 Energy: 1.141295701545469 Energy: 1.2380716885898666 Energy: 1.1317044897231952 Energy: 1.2380716885898666 Energy: 1.141295701545469 Energy: 1.2380716885892193 Energy: 1.1466575345388075 Energy: 1.1314643253545615 Energy: 1.248896566544944 Energy: 1.1314643253539143 Energy: 1.14665753453816 Energy: 1.1314643253545615 Energy: 1.1352381042005073 Energy: 1.1873047526508687 Energy: 1.451849071775019 Energy: 1.1873047526508687 Energy: 1.1352381042005073 Energy: 1.1873047526508687 Energy: 1.261442878496979 Energy: 1.1389410838811627 Energy: 1.277737209126722 Energy: 1.1389410838805156 Energy: 1.261442878496979 Energy: 1.1389410838805156 Energy: 1.136521506437796 Energy: 1.2600364968733317 Energy: 1.4169851594629683 Energy: 1.2600364968726845 Energy: 1.136521506437149 Energy: 1.2600364968733317 Energy: 1.3963354311196392 Energy: 1.1334558594425799 Energy: 1.1342972985248727 Energy: 1.1334558594425799 Energy: 1.3963354311189917 Energy: 1.1334558594432271 Energy: 1.2793122206422254 Energy: 1.1385612177681732 Energy: 1.1523488402093183 Energy: 1.1385612177694677 Energy: 1.2793122206422254 Energy: 1.1385612177707622 Energy: 1.3926116993732398 Energy: 1.188508367452461 Energy: 1.1367556002747112 Energy: 1.2062761107686069 Energy: 1.3926116993732398 Energy: 1.188508367452461 Energy: 1.2505251513305982 Energy: 1.378598810775891 Energy: 1.24428700127602 Energy: 1.378598810775891 Energy: 1.2505251513305982 Energy: 1.3785988107765383 Energy: 1.1469460962409166 Energy: 1.1473917840505048 Energy: 1.1484379305136116 Energy: 1.1473917840530938 Energy: 1.1469460962402693 Energy: 1.1473917840517995 Energy: 1.1381209174484026 Energy: 1.1352549801427232 Energy: 1.4253698302154316 Energy: 1.1352549801440173 Energy: 1.1381209174484026 Energy: 1.1352549801433702 Energy: 1.1594596226424905 Energy: 1.4125839259089565 Energy: 1.6261698663324624 Energy: 1.4125839259083093 Energy: 1.159459622641843 Energy: 1.4125839259083093 Energy: 1.1545425694029894 Energy: 1.386521530732292 Energy: 1.2435538692379577 Energy: 1.386521530732292 Energy: 1.1545425694029894 Energy: 1.3865215307329393 Energy: 1.2497261570181104 Energy: 1.4702009090781492 Energy: 1.1488374795871494 Energy: 1.5441122835576389 Energy: 1.2497261570181104 Energy: 1.4702009090787964 Energy: 1.2579991956898686 Energy: 1.130796890997965 Energy: 1.1455889343977448 Energy: 1.130796890997965 Energy: 1.2579991956898686 Energy: 1.1307968909973178 Energy: 1.6058842693159128 Energy: 1.4198976607310314 Energy: 1.1567628833992594 Energy: 1.4198976607310314 Energy: 1.6058842693159128 Energy: 1.4198976607310314 Energy: 1.6053393424424154 Energy: 1.3733955952198775 Energy: 1.1401356379188532 Energy: 1.3733955952205248 Energy: 1.6053393424424154 Energy: 1.3733955952198775 Energy: 1.1462770366903452 Energy: 1.207809606767509 Energy: 1.1462635548387328 Energy: 1.2179432988869634 Energy: 1.1462770366903452 Energy: 1.2078096067668618 Energy: 1.14011608156971 Energy: 1.362003356967941 Energy: 1.4399560236014395 Energy: 1.362003356968588 Energy: 1.14011608156971 Energy: 1.362003356968588 Energy: 1.1567743515674076 Energy: 1.4199042519070557 Energy: 1.6059548203891554 Energy: 1.4199042519070557 Energy: 1.1567743515674076 Energy: 1.4199042519070557 Energy: 1.1545785495700176 Energy: 1.1307428230148464 Energy: 1.258184165352864 Energy: 1.1307428230148464 Energy: 1.1545785495700176 Energy: 1.1307428230148464 Energy: 1.14884098162652 Energy: 1.3675644538347331 Energy: 1.2497395787674521 Energy: 1.3675644538347331 Energy: 1.14884098162652 Energy: 1.3675644538347331 Energy: 1.2435954019060882 Energy: 1.386461927361413 Energy: 1.143160981403234 Energy: 1.38646192736206 Energy: 1.2435954019067355 Energy: 1.38646192736206 Energy: 1.665430659162509 Energy: 1.4127942478545579 Energy: 1.159458923385034 Energy: 1.4127942478558229 Energy: 1.665430659162509 Energy: 1.4127942478551754 Energy: 1.4259269765182196 Energy: 1.1352635612608541 Energy: 1.1379241085836804 Energy: 1.1352635612602069 Energy: 1.4259269765175724 Energy: 1.1352635612608541 Energy: 1.148455769801206 Energy: 1.1472738545509888 Energy: 1.1469148677381504 Energy: 1.1472738545509888 Energy: 1.148455769801206 Energy: 1.1472738545509888 Energy: 1.244320085498102 Energy: 1.3784971963550317 Energy: 1.2505411581382087 Energy: 1.3784971963550317 Energy: 1.2443200854974548 Energy: 1.3784971963550317 Energy: 1.1367737652132113 Energy: 1.1885083674511665 Energy: 1.3928578296308602 Energy: 1.1885083674505192 Energy: 1.136773765212564 Energy: 1.1885083674505192 Energy: 1.1523644515503824 Energy: 1.138626158285659 Energy: 1.2793129410338222 Energy: 1.138626158285659 Energy: 1.1523644515510296 Energy: 1.1386261582843642 Energy: 1.1342993576790943 Energy: 1.1333773682902843 Energy: 1.3963339767037766 Energy: 1.1333773682909316 Energy: 1.1342993576797415 Energy: 1.1333773682909316 Energy: 1.4169536308395194 Energy: 1.2599815062114212 Energy: 1.1365326170982388 Energy: 1.2599815062114212 Energy: 1.416953630840167 Energy: 1.2599815062114212 Energy: 1.277752933425782 Energy: 1.1391148853110227 Energy: 1.2613609566135575 Energy: 1.1391148853116697 Energy: 1.277752933425782 Energy: 1.1391148853110227 Energy: 1.4514232398212865 Energy: 1.1873047526534577 Energy: 1.1352366019971951 Energy: 1.1873047526534577 Energy: 1.4514232398206393 Energy: 1.1873047526534577 Energy: 1.248891820405676 Energy: 1.1314954581659538 Energy: 1.1466730226404025 Energy: 1.1314954581678953 Energy: 1.248891820405676 Energy: 1.1314954581653063 Energy: 1.1317987834407586 Energy: 1.2380491195245424 Energy: 1.141302409699699 Energy: 1.2380491195245424 Energy: 1.1317987834407586 Energy: 1.2380491195245424 Energy: 1.1356508850969382 Energy: 1.149095034614254 Energy: 1.4152722742437334 Energy: 1.149095034614254 Energy: 1.1356508850969382 Energy: 1.149095034614254 Energy: 1.409243679047611 Energy: 1.5567690827731193 Energy: 1.7076121729157059 Energy: 1.5567690827718248 Energy: 1.4092436790482583 Energy: 1.5567690827711775 Energy: 1.135649531727954 Energy: 1.1490920786465597 Energy: 1.415198217100584 Energy: 1.149092078647207 Energy: 1.135649531727954 Energy: 1.1490920786465597 Energy: 1.1317044897257549 Energy: 1.2380716885892193 Energy: 1.141295701545469 Energy: 1.2380716885898666 Energy: 1.1317044897257549 Energy: 1.2380716885898666 Energy: 1.2488965665442968 Energy: 1.1314643253545615 Energy: 1.14665753453816 Energy: 1.1314643253539143 Energy: 1.2488965665442968 Energy: 1.1314643253539143 Energy: 1.451849071775019 Energy: 1.1873047526508687 Energy: 1.1352381042005073 Energy: 1.1873047526508687 Energy: 1.4518490717756665 Energy: 1.1873047526508687 minimum gb energy = 1.1307428230148464 eV minimum distance = 2.25559604470413 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 1.49916583493857 Energy: 1.359843492128196 Energy: 1.466004074723854 Energy: 1.3598434921324118 Energy: 1.49916583493857 Energy: 1.359843492131358 Energy: 1.3017929161717428 Energy: 1.1556846839106536 Energy: 1.1555009544000385 Energy: 1.1556846839095996 Energy: 1.3017929161717428 Energy: 1.1556846839095996 Energy: 1.1572234703373163 Energy: 1.2291305548209384 Energy: 1.155696396079092 Energy: 1.2291305548188305 Energy: 1.1572234703373163 Energy: 1.2291305548198845 Energy: 1.2791229342207955 Energy: 1.238039866437392 Energy: 1.4513609237983367 Energy: 1.2380398664394996 Energy: 1.2791229342207955 Energy: 1.2380398664394996 Energy: 1.1072630395519336 Energy: 1.1951799321155467 Energy: 1.31798132890512 Energy: 1.195179932114493 Energy: 1.1072630395508798 Energy: 1.195179932114493 Energy: 1.4035375531764767 Energy: 1.239298214610393 Energy: 1.451466132700629 Energy: 1.239298214610393 Energy: 1.4035375531764767 Energy: 1.239298214610393 Energy: 1.15930121842576 Energy: 1.239547997157323 Energy: 1.160780975584873 Energy: 1.2395479971562688 Energy: 1.15930121842576 Energy: 1.2395479971562688 Energy: 1.1062264993432567 Energy: 1.2315222506410546 Energy: 1.155379807518667 Energy: 1.2315222506410546 Energy: 1.1062264993432567 Energy: 1.2315222506410546 Energy: 1.3044038213027136 Energy: 1.107859995557901 Energy: 1.1626443009656582 Energy: 1.107859995574763 Energy: 1.3044038213027136 Energy: 1.107859995573709 Energy: 1.3752083712699767 Energy: 1.1556379354363036 Energy: 1.157443476737597 Energy: 1.155637935434196 Energy: 1.3752083712699767 Energy: 1.15563793543525 Energy: 1.1594581987579884 Energy: 1.1068773835175698 Energy: 1.4424770591525222 Energy: 1.1068773835207317 Energy: 1.1594581987579884 Energy: 1.1068773835186239 Energy: 1.2153739247185855 Energy: 1.2381061383720253 Energy: 1.4480648471831912 Energy: 1.2381061383709715 Energy: 1.2153739247185855 Energy: 1.2381061383709715 Energy: 1.111739641871811 Energy: 1.2410027848787308 Energy: 1.442713370563609 Energy: 1.2410027848787308 Energy: 1.111739641871811 Energy: 1.2410027848776768 Energy: 1.3969280459430653 Energy: 1.3030905198026197 Energy: 1.448312575100629 Energy: 1.3030905198026197 Energy: 1.3969280459430653 Energy: 1.3030905198026197 Energy: 1.1665512355699479 Energy: 1.2412188220731408 Energy: 1.1597297979125913 Energy: 1.2412188220731408 Energy: 1.1665512355688938 Energy: 1.2412188220731408 Energy: 1.378479869904938 Energy: 1.1792688213317961 Energy: 1.1594726191256286 Energy: 1.179268821324419 Energy: 1.378479869904938 Energy: 1.179268821338119 Energy: 1.492896002987648 Energy: 1.2362255890903682 Energy: 1.1602694735277195 Energy: 1.2362255890903682 Energy: 1.492896002986594 Energy: 1.236225589092476 Energy: 1.4536612695351898 Energy: 1.3034968576413535 Energy: 1.1639878607442729 Energy: 1.3034968576434613 Energy: 1.4536612695351898 Energy: 1.3034968576424075 Energy: 1.166890172385059 Energy: 1.1072750134861744 Energy: 1.446602433780149 Energy: 1.1072750134735283 Energy: 1.166890172385059 Energy: 1.107275013498821 Energy: 1.2379199072801836 Energy: 1.2302278181353155 Energy: 1.4521324454474624 Energy: 1.2302278181363693 Energy: 1.2379199072801836 Energy: 1.2302278181363693 Energy: 1.1164274749580103 Energy: 1.2382921051612605 Energy: 1.4552702269823177 Energy: 1.2382921051612605 Energy: 1.1164274749580103 Energy: 1.2382921051612605 Energy: 1.1581407137655284 Energy: 1.1074561180114137 Energy: 1.444976841817781 Energy: 1.1074561180124678 Energy: 1.1581407137655284 Energy: 1.1074561180114137 Energy: 1.170058278606894 Energy: 1.229608911220528 Energy: 1.1632219672314084 Energy: 1.229608911220528 Energy: 1.170058278606894 Energy: 1.229608911220528 Energy: 1.3166588850960272 Energy: 1.600409985244949 Energy: 1.1632818261348081 Energy: 1.600409985246003 Energy: 1.3166588850960272 Energy: 1.600409985246003 Energy: 1.3030170082123311 Energy: 1.2557851706668304 Energy: 1.1628407213285359 Energy: 1.2557851706647225 Energy: 1.3030170082123311 Energy: 1.2557851706647225 Energy: 1.1706869247997096 Energy: 1.2401463039228469 Energy: 1.1631464517554362 Energy: 1.2401463039228469 Energy: 1.1706869248007634 Energy: 1.2401463039228469 Energy: 1.1693650265660802 Energy: 1.1070837440850345 Energy: 1.449103489202805 Energy: 1.10708374409131 Energy: 1.1693650265660802 Energy: 1.1070837440860883 minimum gb energy = 1.1062264993432567 eV minimum distance = 2.30281706831952 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 1.5075687888488536 Energy: 1.1945070406667564 Energy: 1.6946991318931919 Energy: 1.1945070406667564 Energy: 1.5075687888488536 Energy: 1.1945070406659886 Energy: 1.2773872514454812 Energy: 1.20317265658796 Energy: 1.1622895714483714 Energy: 1.2031726565871919 Energy: 1.2773872514454812 Energy: 1.20317265658796 Energy: 1.1940145672195854 Energy: 1.2708799522583056 Energy: 1.16015501349499 Energy: 1.2708799522583056 Energy: 1.1940145672195854 Energy: 1.2708799522583056 Energy: 1.3312197530359409 Energy: 1.1659168203415438 Energy: 1.4469719874542655 Energy: 1.1659168203384724 Energy: 1.3312197530359409 Energy: 1.1659168203407761 Energy: 1.1560138999945384 Energy: 1.2105214035742111 Energy: 1.2718097210214412 Energy: 1.2105214035742111 Energy: 1.1560138999945384 Energy: 1.2105214035742111 Energy: 1.2901838028063732 Energy: 1.26090821816846 Energy: 1.2236062860108954 Energy: 1.26090821816846 Energy: 1.2901838028063732 Energy: 1.26090821816846 Energy: 1.2246810708721918 Energy: 1.2612352932711428 Energy: 1.170760123282449 Energy: 1.2612352932719106 Energy: 1.2246810708721918 Energy: 1.2612352932719106 Energy: 1.307943695165423 Energy: 1.2328038829535708 Energy: 1.1572926328088309 Energy: 1.2328038829543386 Energy: 1.3079436951646553 Energy: 1.2328038829543386 Energy: 1.4462378845655013 Energy: 1.1659725694598775 Energy: 1.302274255793677 Energy: 1.165972569462949 Energy: 1.4462378845655013 Energy: 1.1659725694621814 Energy: 1.4291861604514182 Energy: 1.2706359886293648 Energy: 1.1972435426974237 Energy: 1.2706359886293648 Energy: 1.429186160452186 Energy: 1.2706359886293648 Energy: 1.1634932798340787 Energy: 1.2604004855044766 Energy: 1.5291245875268247 Energy: 1.2604004855037088 Energy: 1.1634932798333106 Energy: 1.260400485502941 Energy: 1.2039298336125075 Energy: 1.1780946059818092 Energy: 1.3650876122886928 Energy: 1.178094605982577 Energy: 1.2039298336125075 Energy: 1.178094605982577 Energy: 1.164745387066946 Energy: 1.2040887159986324 Energy: 1.4350220733263777 Energy: 1.2040887159994 Energy: 1.164745387066946 Energy: 1.2040887159994 Energy: 1.4451621516847946 Energy: 1.1572703909923021 Energy: 1.1969568641846404 Energy: 1.1572703909923021 Energy: 1.4451621516855626 Energy: 1.1572703909915343 Energy: 1.4474134082680232 Energy: 1.1675125402848496 Energy: 1.1701221218203255 Energy: 1.1675125402856175 Energy: 1.4474134082680232 Energy: 1.1675125402856175 Energy: 1.420410082396129 Energy: 1.2671771802010696 Energy: 1.1549465074387117 Energy: 1.2671771802018377 Energy: 1.420410082396129 Energy: 1.2671771802018377 Energy: 1.2273732076873887 Energy: 1.1778758118626262 Energy: 1.4206144323189687 Energy: 1.1778758118633939 Energy: 1.2273732076873887 Energy: 1.177875811864162 Energy: 1.1731842913630586 Energy: 1.2620947283894104 Energy: 1.222522054292569 Energy: 1.262094728390178 Energy: 1.1731842913622907 Energy: 1.262094728390178 Energy: 1.167369585714612 Energy: 1.171265816182743 Energy: 1.4451255829592653 Energy: 1.1712658161804395 Energy: 1.1673695857153796 Energy: 1.1712658161804395 Energy: 1.1938669410188156 Energy: 1.2909938760698598 Energy: 1.4492815340206455 Energy: 1.2909938760721633 Energy: 1.1938669410195837 Energy: 1.2909938760706274 Energy: 1.1938904259731105 Energy: 1.2651754323679374 Energy: 1.2029647928590372 Energy: 1.2651754323664017 Energy: 1.1938904259723426 Energy: 1.2651754323679374 Energy: 1.581147810491948 Energy: 1.1721925636398194 Energy: 1.16148399331785 Energy: 1.1721925636398194 Energy: 1.5811478104911803 Energy: 1.1721925636398194 Energy: 1.6939398913149157 Energy: 1.1583560818269723 Energy: 1.2028988018440303 Energy: 1.1583560818254368 Energy: 1.6939398913149157 Energy: 1.1583560818269723 Energy: 1.1936532421228532 Energy: 1.3671946872975556 Energy: 1.2027918838575975 Energy: 1.3671946872967875 Energy: 1.1936532421228532 Energy: 1.3671946872967875 Energy: 1.193662682633299 Energy: 1.2975676318476157 Energy: 1.4455736749540866 Energy: 1.2975676318476157 Energy: 1.193662682634067 Energy: 1.2975676318460798 Energy: 1.169641827789217 Energy: 1.2567325159416238 Energy: 1.445420968611671 Energy: 1.2567325159416238 Energy: 1.169641827789985 Energy: 1.2567325159416238 Energy: 1.1708911588120063 Energy: 1.4595013188826904 Energy: 1.4220019488033664 Energy: 1.459501318884994 Energy: 1.1708911588120063 Energy: 1.459501318884994 Energy: 1.4210769301967128 Energy: 1.2774736489770426 Energy: 1.4202104324784663 Energy: 1.2774736489770426 Energy: 1.4210769301967128 Energy: 1.2774736489770426 Energy: 1.4202099780982944 Energy: 1.2634606953488412 Energy: 1.169357903405992 Energy: 1.263460695349609 Energy: 1.4202099780982944 Energy: 1.2634606953488412 Energy: 1.4453087700079317 Energy: 1.308794247046343 Energy: 1.1699937280627049 Energy: 1.3087942470448073 Energy: 1.4453087700079317 Energy: 1.3087942470440395 Energy: 1.4428866454612042 Energy: 1.299788962960438 Energy: 1.1940998187172893 Energy: 1.299788962960438 Energy: 1.4428866454619722 Energy: 1.299788962960438 Energy: 1.2028367452770046 Energy: 1.265820630234249 Energy: 1.1938008559106514 Energy: 1.265820630234249 Energy: 1.2028367452770046 Energy: 1.265820630234249 Energy: 1.2029852931323592 Energy: 1.1568120062492906 Energy: 1.690532788093633 Energy: 1.1568120062500584 Energy: 1.2029852931323592 Energy: 1.1568120062485225 Energy: 1.1601513478780925 Energy: 1.1620811351738944 Energy: 1.6797048906240337 Energy: 1.1620811351738944 Energy: 1.1601513478780925 Energy: 1.1620811351746623 Energy: 1.2027191740757586 Energy: 1.269893363976636 Energy: 1.194020106301961 Energy: 1.269893363970493 Energy: 1.2027191740757586 Energy: 1.2698933639751004 Energy: 1.4491154295847062 Energy: 1.29755109237478 Energy: 1.1936543813778606 Energy: 1.2975510923755478 Energy: 1.4491154295847062 Energy: 1.2975510923755478 minimum gb energy = 1.1549465074387117 eV minimum distance = 2.28335234565291 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 1.1973451558250245 Energy: 1.1982812027891294 Energy: 1.3665030278115597 Energy: 1.1982812027891294 Energy: 1.1973451558253132 Energy: 1.1982812027891294 Energy: 1.1984624621771256 Energy: 1.1981367101772293 Energy: 1.1973659567009247 Energy: 1.1981367101772293 Energy: 1.1984624621768694 Energy: 1.198136710177518 Energy: 1.1973650855825504 Energy: 1.198286049200314 Energy: 1.1984482962411662 Energy: 1.198286049200314 Energy: 1.1973650855825504 Energy: 1.198286049200314 Energy: 1.3683412581294063 Energy: 1.1982812027891294 Energy: 1.1973451558253132 Energy: 1.1982812027894179 Energy: 1.3683412581291179 Energy: 1.1982812027894179 Energy: 1.1973659567009247 Energy: 1.1981367101772293 Energy: 1.1984624621760036 Energy: 1.198136710177518 Energy: 1.1973659567009247 Energy: 1.198136710177518 Energy: 1.198448296243731 Energy: 1.198286049200314 Energy: 1.1973650855825504 Energy: 1.1982860492005702 Energy: 1.1984482962434426 Energy: 1.1982860492005702 Energy: 1.1973451558250245 Energy: 1.1982812027888408 Energy: 1.3683412581279957 Energy: 1.1982812027891294 Energy: 1.1973451558250245 Energy: 1.1982812027891294 Energy: 1.198462462174048 Energy: 1.198136710177518 Energy: 1.197365956700636 Energy: 1.1981367101772293 Energy: 1.1984624621734707 Energy: 1.1981367101772293 Energy: 1.1973650855825504 Energy: 1.198286049200314 Energy: 1.1984482962456866 Energy: 1.1982860492005702 Energy: 1.1973650855828069 Energy: 1.198286049200314 Energy: 1.3683412581257512 Energy: 1.1982812027894179 Energy: 1.1973451558253132 Energy: 1.1982812027891294 Energy: 1.3683412581251744 Energy: 1.1982812027894179 minimum gb energy = 1.1973451558250245 eV minimum distance = 2.25591478614172 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 1.6283310956527228 Energy: 1.1593149558699658 Energy: 1.1988766789223342 Energy: 1.1593149558716542 Energy: 1.6283310956527228 Energy: 1.1593149558708102 Energy: 1.1590429362109256 Energy: 1.1824405099211976 Energy: 1.1277063102019622 Energy: 1.1824405099228865 Energy: 1.1590429362100816 Energy: 1.1824405099228865 Energy: 1.1485253208520547 Energy: 1.1489167054704694 Energy: 1.1297005632121655 Energy: 1.1489167054704694 Energy: 1.1485253208520547 Energy: 1.1489167054704694 Energy: 1.148585043633216 Energy: 1.1328948713836111 Energy: 1.1865194435146917 Energy: 1.1328948713819227 Energy: 1.148585043633216 Energy: 1.1328948713819227 Energy: 1.160843979453014 Energy: 1.1591757971372367 Energy: 1.1283771076627864 Energy: 1.1591757971363927 Energy: 1.160843979453014 Energy: 1.1591757971363927 Energy: 1.370588876916987 Energy: 1.222743380822127 Energy: 1.1303293400637233 Energy: 1.222743380823816 Energy: 1.3705888769178316 Energy: 1.222743380823816 Energy: 1.1610916428439377 Energy: 1.1593415981709019 Energy: 1.18117830979708 Energy: 1.1593415981709019 Energy: 1.1610916428439377 Energy: 1.1593415981709019 Energy: 1.1597775779360184 Energy: 1.358090445827055 Energy: 1.1903088660953076 Energy: 1.3580904458262109 Energy: 1.1597775779351742 Energy: 1.3580904458262109 Energy: 1.1490624658643915 Energy: 1.1484470852709885 Energy: 1.5822504706081708 Energy: 1.1484470852717945 Energy: 1.1490624658643915 Energy: 1.1484470852717945 Energy: 1.1496749690485102 Energy: 1.1833841756388923 Energy: 1.127475857951257 Energy: 1.183384175638048 Energy: 1.1496749690485102 Energy: 1.1833841756372037 Energy: 1.6120275984097383 Energy: 1.127090136524362 Energy: 1.1830549271915864 Energy: 1.1270901365235177 Energy: 1.6120275984097383 Energy: 1.1270901365260504 Energy: 1.614802498681036 Energy: 1.243456203785095 Energy: 1.1272073170904369 Energy: 1.243456203785095 Energy: 1.614802498681036 Energy: 1.243456203785095 Energy: 1.1496798718172452 Energy: 1.2597211952983296 Energy: 1.127688897332867 Energy: 1.2597211952983296 Energy: 1.1496798718164012 Energy: 1.2597211952983296 Energy: 1.1511832524070753 Energy: 1.2559599598053988 Energy: 1.185913935282894 Energy: 1.2559599598045545 Energy: 1.1511832524070753 Energy: 1.2559599598045545 Energy: 1.1591593592023732 Energy: 1.2486336894301904 Energy: 1.1853655665325673 Energy: 1.2486336894293464 Energy: 1.1591593592023732 Energy: 1.2486336894293464 Energy: 1.159577788732787 Energy: 1.1835119183314142 Energy: 1.1281996597156378 Energy: 1.1835119183314142 Energy: 1.159577788732787 Energy: 1.1835119183322587 Energy: 1.1593806844599392 Energy: 1.1834037515494944 Energy: 1.1283086986643587 Energy: 1.1834037515478055 Energy: 1.1593806844599392 Energy: 1.1834037515486497 Energy: 1.1592253537644532 Energy: 1.2789654875382284 Energy: 1.1860011238578876 Energy: 1.2789654875365397 Energy: 1.1592253537636088 Energy: 1.2789654875373837 Energy: 1.149261275475074 Energy: 1.2570246438113255 Energy: 1.1859946114780835 Energy: 1.2570246438104813 Energy: 1.1492612754759182 Energy: 1.2570246438113255 Energy: 1.1496800191045633 Energy: 1.184655372961181 Energy: 1.1279628583634862 Energy: 1.1846553729628695 Energy: 1.1496800191045633 Energy: 1.1846553729628695 Energy: 1.6125642686843404 Energy: 1.2421958194980616 Energy: 1.1273323390113217 Energy: 1.242195819498906 Energy: 1.6125642686843404 Energy: 1.242195819498906 Energy: 1.610561333002935 Energy: 1.241713712864666 Energy: 1.1829942873811545 Energy: 1.2417137128663545 Energy: 1.610561333002935 Energy: 1.2417137128655102 Energy: 1.1492146155420002 Energy: 1.183675006895721 Energy: 1.127669662943882 Energy: 1.1836750068948767 Energy: 1.1492146155420002 Energy: 1.1836750068948767 Energy: 1.149022373654826 Energy: 1.148585209716711 Energy: 1.5934324055275793 Energy: 1.148585209716711 Energy: 1.149022373654826 Energy: 1.148585209716711 Energy: 1.1600300845392015 Energy: 1.2821502644139315 Energy: 1.1856980840012554 Energy: 1.2821502644139315 Energy: 1.1600300845392015 Energy: 1.2821502644130873 Energy: 1.1633400001913063 Energy: 1.1496402292369114 Energy: 1.2227392968806792 Energy: 1.1496402292343786 Energy: 1.1633400001913063 Energy: 1.1496402292335341 Energy: 1.1604452090027804 Energy: 1.182669500106461 Energy: 1.1302508826680906 Energy: 1.182669500105617 Energy: 1.1604452090027804 Energy: 1.182669500105617 Energy: 1.1633951586332747 Energy: 1.2444114849356538 Energy: 1.1284659416064813 Energy: 1.244411484937342 Energy: 1.1633951586332747 Energy: 1.244411484937342 Energy: 1.259013363632438 Energy: 1.127547826770956 Energy: 1.1881756895921962 Energy: 1.127547826770112 Energy: 1.259013363632438 Energy: 1.127547826770956 Energy: 1.14923869491549 Energy: 1.1488863460256404 Energy: 1.353137851986011 Energy: 1.1488863460256404 Energy: 1.14923869491549 Energy: 1.1488863460256404 Energy: 1.2204976178093725 Energy: 1.1827454226768297 Energy: 1.1296265794155083 Energy: 1.1827454226768297 Energy: 1.2204976178093725 Energy: 1.1827454226768297 Energy: 1.6098106437845674 Energy: 1.1594455532971182 Energy: 1.1810713057995632 Energy: 1.1594455532979624 Energy: 1.6098106437837232 Energy: 1.1594455532979624 Energy: 1.1559542167463048 Energy: 1.182317166512277 Energy: 1.127084065014145 Energy: 1.1823171665131211 Energy: 1.1559542167463048 Energy: 1.1823171665131211 minimum gb energy = 1.127084065014145 eV minimum distance = 2.24405321750285 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 1.3275676672009007 Energy: 1.1815935620684945 Energy: 1.5396710124905983 Energy: 1.1815935620684945 Energy: 1.327567667202104 Energy: 1.1815935620684945 Energy: 1.146881984021042 Energy: 1.102306330983597 Energy: 1.1079592460618826 Energy: 1.1023063309848 Energy: 1.1468819848267202 Energy: 1.1023063309860033 Energy: 1.0904615637693869 Energy: 1.1723392273277833 Energy: 1.097472855453053 Energy: 1.1723392273277833 Energy: 1.0904615637693869 Energy: 1.1723392273277833 Energy: 1.4843595697505954 Energy: 1.1727150046947155 Energy: 1.2539346417125012 Energy: 1.1727150046947155 Energy: 1.4843595697505954 Energy: 1.1727150046947155 Energy: 1.2531585517155224 Energy: 1.1691632118086421 Energy: 1.1387253029071331 Energy: 1.1691632118098452 Energy: 1.2531585517155224 Energy: 1.1691632118098452 Energy: 1.2534823620153799 Energy: 1.1010183793728043 Energy: 1.0919648718055606 Energy: 1.1010183793716013 Energy: 1.2534823620153799 Energy: 1.1010183793703983 Energy: 1.2408984195858175 Energy: 1.1009700707354704 Energy: 1.1018276341149025 Energy: 1.1009700707342673 Energy: 1.2408984195858175 Energy: 1.1009700707342673 Energy: 1.251305740090446 Energy: 1.4385363014342292 Energy: 1.6568811061237982 Energy: 1.4385363014330264 Energy: 1.251305740090446 Energy: 1.4385363014330264 Energy: 1.2547855591604236 Energy: 1.1017651315591437 Energy: 1.6467245538155721 Energy: 1.1017651315603467 Energy: 1.2547855591604236 Energy: 1.1017651315591437 Energy: 1.2527874385371036 Energy: 1.1015191548834014 Energy: 1.1053566312370455 Energy: 1.1015191548846044 Energy: 1.2527874385371036 Energy: 1.1015191548846044 Energy: 1.2574462480408193 Energy: 1.101720999741089 Energy: 1.1036414950052016 Energy: 1.1017209997398865 Energy: 1.2574462480408193 Energy: 1.101720999741089 Energy: 1.2530163328087156 Energy: 1.165500837589008 Energy: 1.2531973214732974 Energy: 1.165500837590211 Energy: 1.2530163328099186 Energy: 1.165500837590211 Energy: 1.1031373812399115 Energy: 1.1024736962599135 Energy: 1.2573858440524295 Energy: 1.1024736962587105 Energy: 1.1031373812399115 Energy: 1.1024736962575075 Energy: 1.1078062578848795 Energy: 1.1057123583062316 Energy: 1.2531017122613006 Energy: 1.1057123583062316 Energy: 1.1078062578848795 Energy: 1.1057123583062316 Energy: 1.3175991246561882 Energy: 1.3009216660183773 Energy: 1.2549329147804644 Energy: 1.3009216660195253 Energy: 1.317599124703105 Energy: 1.3009216660195253 Energy: 1.3409300450127366 Energy: 1.3271282675809382 Energy: 1.2512667233821972 Energy: 1.3271282676098102 Energy: 1.3409300450139394 Energy: 1.3271282676037952 Energy: 1.1025041576542616 Energy: 1.1007491921564077 Energy: 1.2512076099800435 Energy: 1.1007491921552048 Energy: 1.1025041576542616 Energy: 1.1007491921552048 Energy: 1.094410989801707 Energy: 1.1011364020522005 Energy: 1.253465887758443 Energy: 1.1011364020534036 Energy: 1.094410989801707 Energy: 1.1011364020534036 Energy: 1.138144159856686 Energy: 1.1814546814829283 Energy: 1.2530866060946626 Energy: 1.1814546814841311 Energy: 1.138144159857889 Energy: 1.1814546814829283 Energy: 1.254323471180473 Energy: 1.10272710959714 Energy: 1.340436876755941 Energy: 1.1027271095983433 Energy: 1.254323471181676 Energy: 1.10272710959714 Energy: 1.2471851620714707 Energy: 1.136896456887073 Energy: 1.1020461835524311 Energy: 1.1368964568846667 Energy: 1.2471851620798913 Energy: 1.1368964568858697 Energy: 1.1096261231076106 Energy: 1.1019406605969906 Energy: 1.321224607893526 Energy: 1.1019406605969906 Energy: 1.1096261231076106 Energy: 1.1019406605981936 Energy: 1.3600364429510086 Energy: 1.0909681826933224 Energy: 1.1486839388331913 Energy: 1.0909681826969315 Energy: 1.3600364429510086 Energy: 1.0909681826945252 minimum gb energy = 1.0904615637693869 eV minimum distance = 2.27326013678409 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 1.433294327929796 Energy: 1.0678265790432442 Energy: 1.5842533176805893 Energy: 1.0678265790440074 Energy: 1.4332943279290329 Energy: 1.0678265790432442 Energy: 1.4927544213024169 Energy: 1.0489651052720188 Energy: 1.0275486862070478 Energy: 1.0489651052712559 Energy: 1.4927544213024169 Energy: 1.0489651052720188 Energy: 1.0315432009039176 Energy: 1.1093846182639464 Energy: 1.4913123842756133 Energy: 1.1093846182647096 Energy: 1.0315432009031544 Energy: 1.1093846182647096 Energy: 1.109087047685822 Energy: 1.0278159352515301 Energy: 1.0436421471615192 Energy: 1.0278159352507672 Energy: 1.109087047685822 Energy: 1.0278159352530565 Energy: 1.3729717399555825 Energy: 1.028569514877158 Energy: 1.3571040116655535 Energy: 1.028569514877158 Energy: 1.3729717399555825 Energy: 1.0285695148779213 Energy: 1.3685908527923165 Energy: 1.1562798584321718 Energy: 1.034627190943576 Energy: 1.1562798584321718 Energy: 1.3685908527923165 Energy: 1.156279858431409 Energy: 1.0322606167104817 Energy: 1.0490946829327736 Energy: 1.0563075601110943 Energy: 1.0490946829320453 Energy: 1.0322606167104817 Energy: 1.0490946829320453 Energy: 1.0510069412244578 Energy: 1.0274736118231498 Energy: 1.36989052670148 Energy: 1.0274736118231498 Energy: 1.0510069412244578 Energy: 1.0274736118216234 Energy: 1.3583020700751534 Energy: 1.282497621247479 Energy: 1.3708960203599918 Energy: 1.2824976212467158 Energy: 1.3583020700751534 Energy: 1.2824976212467158 Energy: 1.0465065346775337 Energy: 1.0498608137756489 Energy: 1.0345615365999434 Energy: 1.0498608137756489 Energy: 1.0465065346775337 Energy: 1.0498608137756489 Energy: 1.0349311499083722 Energy: 1.0504205877562385 Energy: 1.0534645124859041 Energy: 1.0504205877562385 Energy: 1.0349311499083722 Energy: 1.0504205877554753 Energy: 1.0309497356437825 Energy: 1.1090918519494264 Energy: 1.4945176494656935 Energy: 1.1090918519494264 Energy: 1.0309497356445456 Energy: 1.1090918519501898 Energy: 1.379361048058968 Energy: 1.3611378577803595 Energy: 1.4182731936976776 Energy: 1.3611378577803595 Energy: 1.3793610480582046 Energy: 1.3611378577811228 Energy: 1.0278860636136158 Energy: 1.0499428817505456 Energy: 1.0359620217075107 Energy: 1.0499428817505456 Energy: 1.0278860636136158 Energy: 1.0499428817505456 Energy: 1.3572122816828385 Energy: 1.109102782456597 Energy: 1.0284061951575638 Energy: 1.109102782456597 Energy: 1.3572122816836014 Energy: 1.1091027824573603 Energy: 1.0432121020947047 Energy: 1.0277078296588278 Energy: 1.50002709567193 Energy: 1.0277078296481437 Energy: 1.0432121020947047 Energy: 1.027707829668749 Energy: 1.5427657399780117 Energy: 1.0517172061672933 Energy: 1.389235518080797 Energy: 1.0517172061672933 Energy: 1.5427657399780117 Energy: 1.0517172061672933 Energy: 1.029267880084472 Energy: 1.0487555607675247 Energy: 1.2896613720781327 Energy: 1.0487555607667618 Energy: 1.029267880084472 Energy: 1.0487555607667618 Energy: 1.2953724106256774 Energy: 1.0486718165844868 Energy: 1.0285672396389385 Energy: 1.0486718165844868 Energy: 1.2953724106256774 Energy: 1.0486718165844868 Energy: 1.368463879591228 Energy: 1.0287817944593831 Energy: 1.0512181872428104 Energy: 1.0287817944601463 Energy: 1.3684638795919915 Energy: 1.0287817944601463 Energy: 1.5145544677250542 Energy: 1.2767979858561644 Energy: 1.0444133629795713 Energy: 1.2767979858561644 Energy: 1.5145544677250542 Energy: 1.276797985855401 Energy: 1.0296463530771576 Energy: 1.0495223535157348 Energy: 1.3570159793635248 Energy: 1.0495223535149716 Energy: 1.0296463530771576 Energy: 1.0495223535149716 Energy: 1.0571022381338224 Energy: 1.0504130550674085 Energy: 1.0290865822058413 Energy: 1.0504130550681716 Energy: 1.0571022381345856 Energy: 1.0504130550681716 Energy: 1.415035054042274 Energy: 1.1098391603640685 Energy: 1.0281578517311398 Energy: 1.1098391603625422 Energy: 1.415035054042274 Energy: 1.1098391603633053 Energy: 1.4970364530719167 Energy: 1.1080589753189105 Energy: 1.0346917838652077 Energy: 1.1080589753189105 Energy: 1.4970364530711535 Energy: 1.1080589753189105 Energy: 1.0554245313435056 Energy: 1.3842489914145921 Energy: 1.0315176824843235 Energy: 1.3842489914145921 Energy: 1.0554245313435056 Energy: 1.3842489914145921 Energy: 1.0318393071641174 Energy: 1.050210064920393 Energy: 1.3586147356854337 Energy: 1.050210064921919 Energy: 1.0318393071641174 Energy: 1.050210064920393 Energy: 1.3686337919685974 Energy: 1.271310757230206 Energy: 1.0465033979007514 Energy: 1.2713107572317321 Energy: 1.3686337919678344 Energy: 1.2713107572317321 Energy: 1.3731688075618964 Energy: 1.028001400506577 Energy: 1.0500902620315236 Energy: 1.028001400506577 Energy: 1.3731688075618964 Energy: 1.028001400506577 Energy: 1.0511293570502063 Energy: 1.048761795897196 Energy: 1.029592110166049 Energy: 1.048761795897196 Energy: 1.0511293570502063 Energy: 1.048761795897196 Energy: 1.0315159536936531 Energy: 1.2593638580114959 Energy: 1.029528941552541 Energy: 1.2593638580114959 Energy: 1.0315159536936531 Energy: 1.2593638580114959 Energy: 1.3573368411515545 Energy: 1.0519242237167075 Energy: 1.3683881659019408 Energy: 1.0519242237159443 Energy: 1.3573368411507916 Energy: 1.0519242237159443 Energy: 1.0434028774385664 Energy: 1.2141062617358978 Energy: 1.2154304210769664 Energy: 1.214106261736661 Energy: 1.0434028774385664 Energy: 1.214106261736661 Energy: 1.287891143698028 Energy: 1.1088587094419193 Energy: 1.0290491589326856 Energy: 1.1088587094419193 Energy: 1.2878911436972649 Energy: 1.1088587094419193 Energy: 1.0275054696198813 Energy: 1.0490174687520089 Energy: 1.283306640263424 Energy: 1.0490174687504823 Energy: 1.0275054696198813 Energy: 1.0490174687497194 Energy: 1.3797205801387824 Energy: 1.0677163768733824 Energy: 1.412794231538375 Energy: 1.0677163768733824 Energy: 1.3797205801387824 Energy: 1.067716376872619 Energy: 1.0284868477264197 Energy: 1.1096448731647315 Energy: 1.4933351082773616 Energy: 1.1096448731639683 Energy: 1.0284868477264197 Energy: 1.109644873158626 minimum gb energy = 1.0274736118216234 eV minimum distance = 2.26993575252465 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8898620913612685 Energy: 0.8642640077254089 Energy: 1.7342977959742714 Energy: 0.8642640077274927 Energy: 0.8898620913612685 Energy: 0.8642640077254089 Energy: 1.5231267929998815 Energy: 0.8629060261606132 Energy: 0.8643810519395468 Energy: 0.8629060261626494 Energy: 1.5231267929977976 Energy: 0.8629060261626494 Energy: 0.8902328143692285 Energy: 1.0972112110024446 Energy: 0.8669922781674878 Energy: 1.0972112110024446 Energy: 0.8902328143692285 Energy: 1.097211211004528 Energy: 1.5808767883532457 Energy: 0.8631394542992482 Energy: 0.8644700330549808 Energy: 0.8631394542992482 Energy: 1.5808767883532457 Energy: 0.8631394542992482 Energy: 0.8902075297554238 Energy: 0.8630031790329148 Energy: 0.8658090905129999 Energy: 0.8630031790329148 Energy: 0.8902075297554238 Energy: 0.8630031790329148 Energy: 0.8902351199199557 Energy: 0.9062170473564799 Energy: 0.8648960920942166 Energy: 0.9062170473543961 Energy: 0.8902351199199557 Energy: 0.9062170473543961 Energy: 1.5801886506885503 Energy: 0.863226892944233 Energy: 0.8651281847517497 Energy: 0.863226892944233 Energy: 1.5801886506927179 Energy: 0.863226892944233 Energy: 0.8885872302957185 Energy: 0.863443809312187 Energy: 0.8656857537135788 Energy: 0.8634438093142706 Energy: 0.8885872302957185 Energy: 0.8634438093142706 Energy: 1.5084805267827464 Energy: 0.905972167150287 Energy: 0.8646885503740743 Energy: 0.905972167150287 Energy: 1.5084805267827464 Energy: 0.905972167150287 Energy: 0.8902418605654437 Energy: 0.8633670772554776 Energy: 0.8667992682301555 Energy: 0.8633670772554776 Energy: 0.8902418605654437 Energy: 0.8633670772554776 Energy: 1.5154992124825577 Energy: 0.8631781067081791 Energy: 0.8645941715379428 Energy: 0.8631781067081791 Energy: 1.5154992124825577 Energy: 0.8631781067081791 Energy: 0.8903236797589573 Energy: 1.0969373107657459 Energy: 1.4916043442035465 Energy: 1.0969373107657459 Energy: 0.8903236797589573 Energy: 1.0969373107657459 Energy: 1.5155009090494367 Energy: 0.8631923590917209 Energy: 0.8645885548731603 Energy: 0.8631923590917209 Energy: 1.5155009090494367 Energy: 0.8631923590917209 Energy: 0.8902335027089311 Energy: 0.8632511304694158 Energy: 0.8668024367256942 Energy: 0.8632511304694158 Energy: 0.8902335027089311 Energy: 0.8632511304694158 minimum gb energy = 0.8629060261606132 eV minimum distance = 2.35511773401361 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.55814099581862 Energy: 1.1787890142570616 Energy: 1.1509107294833434 Energy: 1.1787890142579769 Energy: 1.55814099581862 Energy: 1.1787890142579769 Energy: 1.1400070536694755 Energy: 1.2374702709319163 Energy: 1.1400714673563166 Energy: 1.2374702709319163 Energy: 1.1400070536694755 Energy: 1.2374702709328316 Energy: 1.125178597955434 Energy: 1.1720449500322005 Energy: 1.1397743726531244 Energy: 1.1720449500331158 Energy: 1.125178597955434 Energy: 1.1720449500331158 Energy: 1.1526787483394372 Energy: 1.1544104476113801 Energy: 1.1414889550537453 Energy: 1.1544104476113801 Energy: 1.1526787483394372 Energy: 1.1544104476113801 Energy: 1.1397537124476493 Energy: 1.22513975891113 Energy: 1.152482765799348 Energy: 1.225139758909299 Energy: 1.1397537124476493 Energy: 1.22513975891113 Energy: 1.1833229805332042 Energy: 1.1554630336580856 Energy: 1.2168247806759016 Energy: 1.1554630336580856 Energy: 1.1833229805332042 Energy: 1.1554630336580856 Energy: 1.1526282202219638 Energy: 1.2137176408019348 Energy: 1.1847011427689016 Energy: 1.2137176408028503 Energy: 1.1526282202210483 Energy: 1.2137176408028503 Energy: 1.1401740000568172 Energy: 1.1527369560964809 Energy: 1.1247932702500185 Energy: 1.1527369560946499 Energy: 1.1401740000568172 Energy: 1.152736956097396 Energy: 1.1257079864772033 Energy: 1.2676987991639876 Energy: 1.1243955991230532 Energy: 1.2676987991639876 Energy: 1.1257079864781188 Energy: 1.2676987991639876 Energy: 1.1411392433245968 Energy: 1.1526979253088272 Energy: 1.1512204128271772 Energy: 1.1526979253088272 Energy: 1.1411392433236816 Energy: 1.1526979253079117 Energy: 1.2354538403660191 Energy: 1.1247413485884847 Energy: 1.155554534356429 Energy: 1.1247413485884847 Energy: 1.2354538403660191 Energy: 1.1247413485884847 Energy: 1.1396466108421246 Energy: 1.1403634449692777 Energy: 1.1553834169995214 Energy: 1.1403634449692777 Energy: 1.1396466108421246 Energy: 1.1403634449701932 Energy: 1.140833398170127 Energy: 1.1528118533522558 Energy: 1.1396210401783746 Energy: 1.152811853353171 Energy: 1.1408333981710423 Energy: 1.152811853353171 Energy: 1.1526071832992917 Energy: 1.1960142918818486 Energy: 1.1531292729344493 Energy: 1.1960142918809333 Energy: 1.1526071832992917 Energy: 1.1960142918809333 Energy: 1.1394324952369745 Energy: 1.5417043860037296 Energy: 1.2166986152884964 Energy: 1.5417043860028143 Energy: 1.1394324952369745 Energy: 1.5417043860037296 Energy: 1.1548705848211325 Energy: 1.1374818725497704 Energy: 1.1837322429849308 Energy: 1.137481872550686 Energy: 1.1548705848220475 Energy: 1.1374818725479396 Energy: 1.1825383961283318 Energy: 1.2231234807734117 Energy: 1.216779650572165 Energy: 1.2231234807734117 Energy: 1.1825383961292468 Energy: 1.2231234807734117 Energy: 1.2167963907711006 Energy: 1.2249121197474544 Energy: 1.139282698159056 Energy: 1.2249121197474544 Energy: 1.2167963907720158 Energy: 1.2249121197474544 Energy: 1.1527194131170078 Energy: 1.301653630118778 Energy: 1.1524104657881615 Energy: 1.301653630118778 Energy: 1.1527194131170078 Energy: 1.301653630118778 Energy: 1.1245381215555987 Energy: 1.1528503960878957 Energy: 1.1392424813272914 Energy: 1.152850396088811 Energy: 1.1245381215555987 Energy: 1.152850396088811 Energy: 1.2560941588980856 Energy: 1.2371290649760247 Energy: 1.1400180024161022 Energy: 1.2371290649760247 Energy: 1.2560941588980856 Energy: 1.2371290649760247 Energy: 1.1829925860677748 Energy: 1.3001118610313547 Energy: 1.2350512287687911 Energy: 1.3001118610331857 Energy: 1.182992586060452 Energy: 1.3001118610313547 Energy: 1.1526753724164593 Energy: 1.1531929889411996 Energy: 1.2457562079791653 Energy: 1.1531929889421149 Energy: 1.152675372415544 Energy: 1.1531929889411996 Energy: 1.1246524587058537 Energy: 1.2047701239249002 Energy: 1.1257188765279935 Energy: 1.2047701239230695 Energy: 1.1246524587058537 Energy: 1.2047701239230695 Energy: 1.1274207759938597 Energy: 1.1529304255788302 Energy: 1.140915047292911 Energy: 1.1529304255779147 Energy: 1.1274207759938597 Energy: 1.1529304255779147 Energy: 1.1823258903112823 Energy: 1.224720771203342 Energy: 1.1525093167001212 Energy: 1.2247207712042576 Energy: 1.1823258903112823 Energy: 1.2247207712042576 Energy: 1.1399772994006399 Energy: 1.2120101590625285 Energy: 1.2164958949530889 Energy: 1.2120101590606978 Energy: 1.1399772993997244 Energy: 1.2120101590643593 Energy: 1.153570265684288 Energy: 1.1400004200834357 Energy: 1.1833473450071548 Energy: 1.140000420084351 Energy: 1.153570265684288 Energy: 1.1400004200834357 Energy: 1.1405736194310512 Energy: 1.1530138414724043 Energy: 1.1524218215775195 Energy: 1.1530138414724043 Energy: 1.1405736194310512 Energy: 1.1530138414714888 Energy: 1.1405634179411996 Energy: 1.1537740499739562 Energy: 1.1262424943417548 Energy: 1.1537740499730411 Energy: 1.1405634179411996 Energy: 1.1537740499730411 Energy: 1.140604380993115 Energy: 1.2525534091618011 Energy: 1.126376948283662 Energy: 1.2525534091627166 Energy: 1.1406043809921995 Energy: 1.252553409163632 minimum gb energy = 1.1243955991230532 eV minimum distance = 2.23798223257741 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.2633073170356282 Energy: 1.2635189986524922 Energy: 1.4334668678459759 Energy: 1.2635189986508633 Energy: 1.263307317037257 Energy: 1.2635189986524922 Energy: 1.2086552518725664 Energy: 1.2093578138733303 Energy: 1.2081003349710904 Energy: 1.2093578138733303 Energy: 1.2086552518725664 Energy: 1.2093578138733303 Energy: 1.208545461741841 Energy: 1.330904605821894 Energy: 1.2081058104821694 Energy: 1.330904605821894 Energy: 1.208545461741841 Energy: 1.330904605821894 Energy: 1.2084038139522477 Energy: 1.6695973852999364 Energy: 1.2084162345000937 Energy: 1.6695973852999364 Energy: 1.2084038139522477 Energy: 1.3640902125622412 Energy: 1.2081180300395344 Energy: 1.3308821032564258 Energy: 1.2085999133350143 Energy: 1.3308821032564258 Energy: 1.2081180300395344 Energy: 1.3308821032564258 Energy: 1.2080572291244558 Energy: 1.2094386156451336 Energy: 1.208517956494058 Energy: 1.2094386156451336 Energy: 1.2080572291244558 Energy: 1.2094386156451336 Energy: 1.364582694887474 Energy: 1.2635189986524922 Energy: 1.263307317037257 Energy: 1.2635189986508633 Energy: 1.364582694887474 Energy: 1.2635189986524922 Energy: 1.2081003349710904 Energy: 1.2093578138733303 Energy: 1.2086552518725664 Energy: 1.2093578138733303 Energy: 1.2081003349710904 Energy: 1.2093578138733303 Energy: 1.2081058104821694 Energy: 1.330904605821894 Energy: 1.2085454617434699 Energy: 1.330904605821894 Energy: 1.2081058104821694 Energy: 1.330904605821894 Energy: 1.2084162344984652 Energy: 1.3640902125671277 Energy: 1.2084038139522477 Energy: 1.3640902125687566 Energy: 1.2084162344984652 Energy: 1.3640902125671277 Energy: 1.2085999133350143 Energy: 1.3308821032564258 Energy: 1.2081180300395344 Energy: 1.3308821032564258 Energy: 1.2085999133350143 Energy: 1.3308821032564258 Energy: 1.208517956494058 Energy: 1.2094386156451336 Energy: 1.2080572291260847 Energy: 1.2094386156451336 Energy: 1.208517956494058 Energy: 1.2094386156451336 Energy: 1.263307317037257 Energy: 1.2635189986524922 Energy: 1.364582694887474 Energy: 1.2635189986524922 Energy: 1.2633073170356282 Energy: 1.2635189986524922 Energy: 1.2086552518725664 Energy: 1.2093578138733303 Energy: 1.2081003349710904 Energy: 1.2093578138733303 Energy: 1.2086552518725664 Energy: 1.2093578138733303 Energy: 1.208545461741841 Energy: 1.330904605821894 Energy: 1.2081058104821694 Energy: 1.330904605821894 Energy: 1.208545461741841 Energy: 1.330904605821894 Energy: 1.2084038139522477 Energy: 1.2844523583143963 Energy: 1.2084162344984652 Energy: 1.2844523585911916 Energy: 1.2084038139522477 Energy: 1.2844523581483263 Energy: 1.2081180300395344 Energy: 1.3308821032564258 Energy: 1.2085999133350143 Energy: 1.3308821032564258 Energy: 1.2081180300395344 Energy: 1.3308821032564258 minimum gb energy = 1.2080572291244558 eV minimum distance = 2.257897915343 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 1.3146095459142093 Energy: 1.306968572681016 Energy: 1.4249092827381395 Energy: 1.306968572681016 Energy: 1.3146095459142093 Energy: 1.306968572681016 Energy: 1.2771235012390791 Energy: 1.350971127222886 Energy: 1.3047650984255563 Energy: 1.350971127221556 Energy: 1.2771235012390791 Energy: 1.350971127221556 Energy: 1.3169782291062246 Energy: 1.3357907602963277 Energy: 1.307029417596595 Energy: 1.3357907602976575 Energy: 1.3169782291048946 Energy: 1.3357907602989876 Energy: 1.3168629301437071 Energy: 1.3226003801620154 Energy: 1.2836490750411413 Energy: 1.3226003801606856 Energy: 1.3168629301450372 Energy: 1.3226003801606856 Energy: 1.2775621902906205 Energy: 1.4168732974863962 Energy: 1.3072694434049275 Energy: 1.416873297487726 Energy: 1.2775621902906205 Energy: 1.4168732974863962 Energy: 1.317078626397257 Energy: 1.3199817566710232 Energy: 1.3370326259394407 Energy: 1.3199817566683634 Energy: 1.317078626397257 Energy: 1.3199817566696934 Energy: 1.3184349622290519 Energy: 1.4631780154240297 Energy: 1.3073789419783226 Energy: 1.4631780154240297 Energy: 1.3184349622290519 Energy: 1.4631780154240297 Energy: 1.2946770534852052 Energy: 1.3483316680696042 Energy: 1.3046400651240793 Energy: 1.348331668068274 Energy: 1.2946770534852052 Energy: 1.348331668068274 Energy: 1.2921183274585761 Energy: 1.4584966382371776 Energy: 1.2847436818648197 Energy: 1.4584966382371776 Energy: 1.2921183274585761 Energy: 1.4584966382371776 Energy: 1.3531679841717423 Energy: 1.5697522420868972 Energy: 1.305223390433286 Energy: 1.5697522420855674 Energy: 1.3531679841717423 Energy: 1.5697522420855674 Energy: 1.3193131722823692 Energy: 1.364348869548527 Energy: 1.2832768566961992 Energy: 1.364348869548527 Energy: 1.3193131722823692 Energy: 1.364348869551187 Energy: 1.3165799778529685 Energy: 1.3191782175477635 Energy: 1.2974254128258098 Energy: 1.3191782175490938 Energy: 1.3165799778529685 Energy: 1.3191782175490938 Energy: 1.3189956718111102 Energy: 1.3178664696036568 Energy: 1.2945537246890653 Energy: 1.3178664696049867 Energy: 1.3189956718111102 Energy: 1.3178664696049867 Energy: 1.3168042248077505 Energy: 1.3178067632388797 Energy: 1.2836866728081309 Energy: 1.3178067632388797 Energy: 1.3168042248077505 Energy: 1.3178067632375496 Energy: 1.3482802797346627 Energy: 1.462781994085082 Energy: 1.3218569613195996 Energy: 1.462781994085082 Energy: 1.3482802797346627 Energy: 1.462781994085082 Energy: 1.2922071351540323 Energy: 1.3515863215122144 Energy: 1.2835613362880545 Energy: 1.3515863215108845 Energy: 1.2922071351540323 Energy: 1.3515863215108845 Energy: 1.29259744442719 Energy: 1.3493985404975528 Energy: 1.2984082959113754 Energy: 1.3493985404975528 Energy: 1.29259744442719 Energy: 1.3493985404975528 Energy: 1.3686244080253258 Energy: 1.4626083117174469 Energy: 1.305221020350224 Energy: 1.462608311716117 Energy: 1.3686244080253258 Energy: 1.462608311714787 Energy: 1.3198032095992318 Energy: 1.3199632378385509 Energy: 1.3116476403812456 Energy: 1.319963237837221 Energy: 1.3198032095992318 Energy: 1.3199632378385509 Energy: 1.3167425376685369 Energy: 1.4676592201885656 Energy: 1.3057973205085434 Energy: 1.4676592201885656 Energy: 1.3167425376685369 Energy: 1.4676592201885656 Energy: 1.31948105912636 Energy: 1.3186578859822118 Energy: 1.2944184852486367 Energy: 1.3186578859848719 Energy: 1.31948105912636 Energy: 1.3186578859835418 minimum gb energy = 1.2771235012390791 eV minimum distance = 2.25103343817624 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.425129092595173 Energy: 1.281757439904513 Energy: 1.4534767417733385 Energy: 1.281757439903392 Energy: 1.425129092595173 Energy: 1.2817574399022709 Energy: 1.2675796252673956 Energy: 1.2654927016082618 Energy: 1.266542376284346 Energy: 1.2654927016082618 Energy: 1.2675796252673956 Energy: 1.2654927016082618 Energy: 1.2796868270060393 Energy: 1.2804121943906077 Energy: 1.2675936712004423 Energy: 1.2804121943917288 Energy: 1.2796868270060393 Energy: 1.2804121943917288 Energy: 1.2688830976639591 Energy: 1.43834370981866 Energy: 1.3068968826616683 Energy: 1.43834370981866 Energy: 1.2688830976639591 Energy: 1.43834370981866 Energy: 1.2676807965493773 Energy: 1.5116579652696815 Energy: 1.2670857164405047 Energy: 1.5116579652696815 Energy: 1.2676807965493773 Energy: 1.5116579652696815 Energy: 1.2829197109965682 Energy: 1.2801471595752203 Energy: 1.2812402593433896 Energy: 1.2801471595740994 Energy: 1.2829197109965682 Energy: 1.2801471595740994 Energy: 1.2690962415499425 Energy: 1.4460577946022826 Energy: 1.2662583346137177 Energy: 1.4460577946022826 Energy: 1.2690962415499425 Energy: 1.4460577946022826 Energy: 1.2663228189307794 Energy: 1.3839209215143813 Energy: 1.266400117086991 Energy: 1.3839209215143813 Energy: 1.2663228189307794 Energy: 1.3839209215143813 Energy: 1.3726829653123522 Energy: 1.4304362080444963 Energy: 1.3465438568810948 Energy: 1.4304362080444963 Energy: 1.3726829653123522 Energy: 1.4304362080456174 Energy: 1.2661471190861404 Energy: 1.2679236260365543 Energy: 1.3141811559642425 Energy: 1.2679236260376752 Energy: 1.2661471190861404 Energy: 1.2679236260365543 Energy: 1.2661403942434832 Energy: 1.2680856454956835 Energy: 1.314176669267288 Energy: 1.2680856454956835 Energy: 1.2661403942434832 Energy: 1.2680856454956835 Energy: 1.372634744714549 Energy: 1.4304289070200324 Energy: 1.346556984319654 Energy: 1.4304289070200324 Energy: 1.372634744714549 Energy: 1.4304289070200324 Energy: 1.2662889759165328 Energy: 1.3841114078670513 Energy: 1.266819438666266 Energy: 1.3841114078670513 Energy: 1.2662889759165328 Energy: 1.3841114078681724 Energy: 1.2688448097284402 Energy: 1.4458926012127054 Energy: 1.2663591508669139 Energy: 1.4458926012127054 Energy: 1.2688448097284402 Energy: 1.4458926012127054 Energy: 1.2830901215663297 Energy: 1.2801120257272383 Energy: 1.2814845527429417 Energy: 1.2801120257272383 Energy: 1.2830901215663297 Energy: 1.2801120257283594 Energy: 1.267688539638958 Energy: 1.5116579652685604 Energy: 1.2672185415808852 Energy: 1.5116579652685604 Energy: 1.267688539638958 Energy: 1.5116579652685604 Energy: 1.2691051537510825 Energy: 1.4383449133404111 Energy: 1.2802971888161283 Energy: 1.4383449133404111 Energy: 1.2691051537510825 Energy: 1.4383449133404111 Energy: 1.2797214380266353 Energy: 1.2805594772593905 Energy: 1.2677549967660522 Energy: 1.2805594772593905 Energy: 1.2797214380266353 Energy: 1.2805594772593905 Energy: 1.2674559834739212 Energy: 1.265400274649275 Energy: 1.2672713865433916 Energy: 1.265400274649275 Energy: 1.2674559834739212 Energy: 1.265400274649275 Energy: 1.425129092595173 Energy: 1.281757439903392 Energy: 1.4534767417733385 Energy: 1.281757439903392 Energy: 1.425129092595173 Energy: 1.281757439903392 Energy: 1.2675796252673956 Energy: 1.2654927016082618 Energy: 1.266542376284346 Energy: 1.2654927016093827 Energy: 1.2675796252673956 Energy: 1.2654927016093827 Energy: 1.2796868270060393 Energy: 1.2804121943906077 Energy: 1.2675936712004423 Energy: 1.2804121943906077 Energy: 1.2796868270060393 Energy: 1.2804121943906077 Energy: 1.2688830976639591 Energy: 1.43834370981866 Energy: 1.3068968826616683 Energy: 1.43834370981866 Energy: 1.2688830976639591 Energy: 1.43834370981866 Energy: 1.2676807965493773 Energy: 1.5116579652696815 Energy: 1.2670857164405047 Energy: 1.5116579652696815 Energy: 1.2676807965493773 Energy: 1.5116579652685604 Energy: 1.2829197109965682 Energy: 1.2801471595740994 Energy: 1.2812402593433896 Energy: 1.2801471595752203 Energy: 1.2829197109965682 Energy: 1.2801471595740994 minimum gb energy = 1.265400274649275 eV minimum distance = 2.28168027179276 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 1.4426615969365166 Energy: 1.2727422143355247 Energy: 1.3325333093639418 Energy: 1.2727422143345568 Energy: 1.4426615969365166 Energy: 1.2727422143345568 Energy: 1.2764049873203374 Energy: 1.3843822518443119 Energy: 1.257420664432256 Energy: 1.3843822518433442 Energy: 1.2764049873203374 Energy: 1.3843822518433442 Energy: 1.2483703917327997 Energy: 1.259819455000941 Energy: 1.2574765319496266 Energy: 1.2598194549990054 Energy: 1.2483703917327997 Energy: 1.2598194549990054 Energy: 1.2772199685173085 Energy: 1.4706501032279273 Energy: 1.283378471101895 Energy: 1.4706501032269594 Energy: 1.2772199685173085 Energy: 1.4706501032269594 Energy: 1.2589274186952744 Energy: 1.3769613689217597 Energy: 1.2754394703498768 Energy: 1.3769613689217597 Energy: 1.2589274186952744 Energy: 1.3769613689207918 Energy: 1.263640450863579 Energy: 1.407309031060848 Energy: 1.2752308024159138 Energy: 1.407309031060848 Energy: 1.263640450863579 Energy: 1.407309031060848 Energy: 1.251585588733494 Energy: 1.4409913112010249 Energy: 1.27511022597143 Energy: 1.4409913112019925 Energy: 1.251585588733494 Energy: 1.4409913112019925 Energy: 1.2622007027183575 Energy: 1.4075890551111783 Energy: 1.2752316477990142 Energy: 1.407589055112146 Energy: 1.2622007027183575 Energy: 1.407589055112146 Energy: 1.272075634181248 Energy: 1.3798345936118308 Energy: 1.2950928830892487 Energy: 1.3798345936127987 Energy: 1.272075634181248 Energy: 1.3798345936127987 Energy: 1.2722276578281955 Energy: 1.346232249515871 Energy: 1.2458690242530948 Energy: 1.3462322495149033 Energy: 1.272227657829163 Energy: 1.3462322495149033 Energy: 1.257829191990174 Energy: 1.272705557415924 Energy: 1.2574310477297064 Energy: 1.272705557415924 Energy: 1.257829191990174 Energy: 1.2727055574149564 Energy: 1.2668553598036116 Energy: 1.2290468145913132 Energy: 1.2464216474005123 Energy: 1.2290468145913132 Energy: 1.2668553598036116 Energy: 1.2290468145913132 Energy: 1.2665471001358868 Energy: 1.2266435055908056 Energy: 1.246085246105858 Energy: 1.2266435055908056 Energy: 1.2665471001358868 Energy: 1.2266435055908056 Energy: 1.2604875548127936 Energy: 1.2832152477095304 Energy: 1.3309213282449666 Energy: 1.2832152477095304 Energy: 1.2604875548127936 Energy: 1.2832152477095304 Energy: 1.2795081787975289 Energy: 1.3847766706039422 Energy: 1.246182967619802 Energy: 1.3847766706039422 Energy: 1.279508178796561 Energy: 1.3847766706039422 Energy: 1.2806037954016418 Energy: 1.346056770298038 Energy: 1.2286021304003987 Energy: 1.3460567702990058 Energy: 1.2806037954026095 Energy: 1.3460567702990058 Energy: 1.2483204074386316 Energy: 1.4075849779620895 Energy: 1.249787773351511 Energy: 1.407584977963057 Energy: 1.2483204074386316 Energy: 1.4075849779620895 Energy: 1.2714353591673455 Energy: 1.2976764828741694 Energy: 1.2266456335589107 Energy: 1.2976764828732017 Energy: 1.2714353591673455 Energy: 1.2976764828741694 Energy: 1.248408031911466 Energy: 1.407811898830376 Energy: 1.249885278185969 Energy: 1.407811898830376 Energy: 1.2484080319104984 Energy: 1.407811898830376 Energy: 1.280522892035944 Energy: 1.3353771844050577 Energy: 1.2412251374351997 Energy: 1.3353771844050577 Energy: 1.280522892035944 Energy: 1.3353771844050577 Energy: 1.2793712526385135 Energy: 1.3368299275328883 Energy: 1.2463277031196922 Energy: 1.3368299275319206 Energy: 1.2793712526385135 Energy: 1.3368299275328883 Energy: 1.2625279259598163 Energy: 1.2724180044349467 Energy: 1.3309396345332687 Energy: 1.2724180044349467 Energy: 1.2625279259598163 Energy: 1.2724180044349467 Energy: 1.299622907387944 Energy: 1.3616204371091676 Energy: 1.2464037582531444 Energy: 1.3616204371082 Energy: 1.299622907387944 Energy: 1.3616204371082 Energy: 1.3095956012044576 Energy: 1.250499786524836 Energy: 1.2467690674515535 Energy: 1.250499786524836 Energy: 1.3095956012044576 Energy: 1.250499786524836 Energy: 1.2875060415459694 Energy: 1.3826826430973325 Energy: 1.2620776781323046 Energy: 1.3826826430973325 Energy: 1.2875060415459694 Energy: 1.3826826430973325 Energy: 1.2794646362333204 Energy: 1.253575240296816 Energy: 1.2460306633517588 Energy: 1.2535752402977838 Energy: 1.2794646362333204 Energy: 1.2535752402977838 Energy: 1.2719972342889643 Energy: 1.3352157051893945 Energy: 1.2698674583575396 Energy: 1.3352157051893945 Energy: 1.2719972342889643 Energy: 1.3352157051893945 Energy: 1.2623466727005008 Energy: 1.4073681046190054 Energy: 1.275115867883894 Energy: 1.407368104619973 Energy: 1.2623466727005008 Energy: 1.407368104619973 Energy: 1.2517500700434105 Energy: 1.4458826699353444 Energy: 1.2751411716241698 Energy: 1.4458826699363123 Energy: 1.2517500700434105 Energy: 1.4458826699363123 minimum gb energy = 1.2266435055908056 eV minimum distance = 2.23564851313199 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.3742303372021774 Energy: 1.2847865973866661 Energy: 1.371519944580908 Energy: 1.2847865973866661 Energy: 1.3742303372021774 Energy: 1.2847865973866661 Energy: 1.2187170719416585 Energy: 1.2061340380499426 Energy: 1.218785920428527 Energy: 1.2061340380499426 Energy: 1.2187170719416585 Energy: 1.2061340380499426 Energy: 1.2068319831855754 Energy: 1.1942063898416164 Energy: 1.2191081079602426 Energy: 1.1942063898407655 Energy: 1.2068319831855754 Energy: 1.1942063898407655 Energy: 1.228894948080978 Energy: 1.2072263142981459 Energy: 1.227314712907493 Energy: 1.2156604276252132 Energy: 1.228894948080978 Energy: 1.2072263142981459 Energy: 1.1938774073128222 Energy: 1.2906753106558098 Energy: 1.2070508335404415 Energy: 1.2906753106558098 Energy: 1.1938774073128222 Energy: 1.2906753106558098 Energy: 1.2077484424975298 Energy: 1.3845145896343865 Energy: 1.1945802544520494 Energy: 1.3845145896343865 Energy: 1.2077484424975298 Energy: 1.3845145896335358 Energy: 1.206956299268204 Energy: 1.425725384737498 Energy: 1.1938191732354972 Energy: 1.4257253847366476 Energy: 1.2069562992690543 Energy: 1.425725384737498 Energy: 1.2061375749878203 Energy: 1.4279718533500134 Energy: 1.2085959016551902 Energy: 1.4279718533508643 Energy: 1.2061375749878203 Energy: 1.412014742748432 Energy: 1.1937018067133178 Energy: 1.383166388560926 Energy: 1.2072262282748407 Energy: 1.383166388560926 Energy: 1.1937018067133178 Energy: 1.383166388560926 Energy: 1.1930806405905972 Energy: 1.3254771007035018 Energy: 1.1949030255497803 Energy: 1.3254771007035018 Energy: 1.1930806405914476 Energy: 1.3254771007035018 Energy: 1.257387938125293 Energy: 1.3690289411658365 Energy: 1.2756418992035714 Energy: 1.3690289411658365 Energy: 1.257387938125293 Energy: 1.3690289411658365 Energy: 1.218740729126537 Energy: 1.1951564957722063 Energy: 1.1944594649496456 Energy: 1.1951564957713559 Energy: 1.218740729126537 Energy: 1.1951564957713559 Energy: 1.219159317661222 Energy: 1.2084445616447153 Energy: 1.212593488761538 Energy: 1.208444561646378 Energy: 1.219159317661222 Energy: 1.208444561646378 Energy: 1.2254497964652136 Energy: 1.2135382084987538 Energy: 1.2193954420626232 Energy: 1.2135382084987538 Energy: 1.2254497964652136 Energy: 1.2295012934442398 Energy: 1.1931529325143224 Energy: 1.294810101892653 Energy: 1.218502667439159 Energy: 1.294810101892653 Energy: 1.1931529325143224 Energy: 1.294810101892653 Energy: 1.250741231216873 Energy: 1.208865466387196 Energy: 1.2065460352110877 Energy: 1.208865466387196 Energy: 1.250741231217724 Energy: 1.208865466387196 Energy: 1.1936964891765094 Energy: 1.2066996957416276 Energy: 1.1934472939281624 Energy: 1.2066996957416276 Energy: 1.1936964891765094 Energy: 1.206699695740777 Energy: 1.2080886556674433 Energy: 1.206314984621479 Energy: 1.1932057010002597 Energy: 1.206314984621479 Energy: 1.2080886556674433 Energy: 1.206314984621479 Energy: 1.2073709722996135 Energy: 1.3778295180893885 Energy: 1.206251482827912 Energy: 1.3778295180893885 Energy: 1.2073709722996135 Energy: 1.3778295180893885 Energy: 1.1934874155303032 Energy: 1.2598118956410334 Energy: 1.1930808625972418 Energy: 1.259811895640183 Energy: 1.1934874155303032 Energy: 1.2598118956410334 Energy: 1.2216842506845051 Energy: 1.2226700440866096 Energy: 1.2066907181563429 Energy: 1.2226700440866096 Energy: 1.221684250685356 Energy: 1.2226700440866096 Energy: 1.1945132701365915 Energy: 1.377908474344393 Energy: 1.1930905330887365 Energy: 1.377908474344393 Energy: 1.1945132701357408 Energy: 1.377908474344393 Energy: 1.203240657920044 Energy: 1.3766353125817452 Energy: 1.1937490346729194 Energy: 1.3766353125817452 Energy: 1.203240657920044 Energy: 1.3766353125817452 Energy: 1.2289101919217384 Energy: 1.2071395360866468 Energy: 1.2601736416126899 Energy: 1.2071395360866468 Energy: 1.2289101919208878 Energy: 1.2071395360866468 Energy: 1.1937763354298119 Energy: 1.2868763696991956 Energy: 1.1931645204227255 Energy: 1.2868763696991956 Energy: 1.1937763354298119 Energy: 1.2868763696991956 Energy: 1.212563754254113 Energy: 1.1949437031394678 Energy: 1.2509058320646138 Energy: 1.1949437031394678 Energy: 1.212563754254113 Energy: 1.1949437031394678 Energy: 1.2190705325378703 Energy: 1.1936767583133772 Energy: 1.193434796961859 Energy: 1.1936767583125267 Energy: 1.2190705325378703 Energy: 1.1936767583125267 Energy: 1.2185822086257354 Energy: 1.193685331947489 Energy: 1.1956321198611248 Energy: 1.193685331947489 Energy: 1.2185822086257354 Energy: 1.193685331947489 Energy: 1.2648217047458459 Energy: 1.2144386790256543 Energy: 1.2993743093897503 Energy: 1.2144386790248036 Energy: 1.2648217047458459 Energy: 1.2144386790248036 Energy: 1.1931444199804533 Energy: 1.2742836276064449 Energy: 1.1954954441389338 Energy: 1.2742836276064449 Energy: 1.1931444199804533 Energy: 1.2742836276072955 Energy: 1.1935009672674521 Energy: 1.2226345602882802 Energy: 1.2062418502217713 Energy: 1.2226345602882802 Energy: 1.1935009672674521 Energy: 1.2226345602882802 Energy: 1.2144458529148174 Energy: 1.377050447131221 Energy: 1.1945303342562277 Energy: 1.377050447131221 Energy: 1.2144458529148174 Energy: 1.377050447131221 Energy: 1.193648007069294 Energy: 1.257410054645278 Energy: 1.2169787795666123 Energy: 1.257410054645278 Energy: 1.193648007069294 Energy: 1.257410054645278 minimum gb energy = 1.1930806405905972 eV minimum distance = 2.26282484659927 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.014950600570420403 Energy: 0.015606214381504181 Energy: 1.331928934291136 Energy: 0.015606214381504181 Energy: 0.014950600571127178 Energy: 0.01560621438083667 Energy: 0.015169646252629641 Energy: 0.6811032349913764 Energy: 0.015169646252629641 Energy: 0.6811032349920831 Energy: 0.015169646252629641 Energy: 0.6811032349920831 Energy: 1.3319289342904685 Energy: 0.015606214381504181 Energy: 0.014950600570420403 Energy: 0.01560621438083667 Energy: 1.331928934291136 Energy: 0.01560621438083667 Energy: 0.01516964625329715 Energy: 0.6811032349920831 Energy: 0.01516964625329715 Energy: 0.6811032349920831 Energy: 0.01516964625329715 Energy: 0.6811032349934575 minimum gb energy = 0.014950600570420403 eV minimum distance = 2.45802840853051 Angstroms sigma value = 1