Model name: model_name=EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.519999995827675 cohesive_energy=4.450349977830043 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.022229810190908222 Energy: 0.6213334441413967 Energy: 0.9533825293495467 Energy: 0.6213360180948558 Energy: 0.022229810193548884 Energy: 0.6213334441440374 Energy: 1.4969020134099864 Energy: 0.6599431738088779 Energy: 0.02261860965137027 Energy: 0.3384001999621608 Energy: 0.022573851940298685 Energy: 0.6599431737983154 Energy: 0.022618609646088937 Energy: 0.3384001999621608 Energy: 0.022229810190908222 Energy: 0.6213334441440374 Energy: 1.2924285238241981 Energy: 0.6213360180948558 Energy: 0.022229810193548884 Energy: 0.6213334441440374 Energy: 1.4969020134073459 Energy: 0.6599431738115187 Energy: 0.022618609648729606 Energy: 0.3384001999621608 Energy: 0.022573851940298685 Energy: 0.6599431737983154 Energy: 0.022618609648729606 Energy: 0.3384001999621608 Energy: 0.022229810190908222 Energy: 0.6213334441413967 Energy: 0.8378346467444011 Energy: 0.6213360180974965 Energy: 0.022229810193548884 Energy: 0.6213334441440374 Energy: 0.8377740016877899 Energy: 0.6599431738115187 Energy: 0.022618609648729606 Energy: 0.3384001999621608 Energy: 0.02257385194293935 Energy: 0.6599431737983154 Energy: 0.022618609646088937 Energy: 0.3384001999621608 minimum gb energy = 0.022229810190908222 eV minimum distance = 2.47014963552939 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.3909101096533156 Energy: 1.3031138653122145 Energy: 1.401447783993597 Energy: 1.302821633259739 Energy: 1.3909101096500898 Energy: 1.3031138652993102 Energy: 1.4124786177123283 Energy: 1.282098950857935 Energy: 1.292013225136632 Energy: 1.359038642859664 Energy: 1.31173790322302 Energy: 1.2820989508127696 Energy: 1.2920132251882497 Energy: 1.3590386428693422 Energy: 1.2766465215839709 Energy: 1.2778717565090105 Energy: 1.2968907872103979 Energy: 1.3087915729446689 Energy: 1.2766465216064948 Energy: 1.2778717564799758 Energy: 1.2968907871878155 Energy: 1.3752073481373082 Energy: 1.2965438099277924 Energy: 1.414946249158801 Energy: 1.3088674187134999 Energy: 1.3752073480792384 Energy: 1.2965438099310185 Energy: 1.4149462491394444 Energy: 1.2895583558035904 Energy: 1.2643017052894443 Energy: 1.3930071617186757 Energy: 1.2685361532916501 Energy: 1.2895583558003645 Energy: 1.2643017053378358 Energy: 1.3797865641895548 Energy: 1.3298499744839583 Energy: 1.3001447299546913 Energy: 1.3294707632180955 Energy: 1.293322777966558 Energy: 1.3298499745065404 Energy: 1.300144729983726 Energy: 1.3294707632503564 Energy: 1.27169232947229 Energy: 1.2981413954655134 Energy: 1.328893530304252 Energy: 1.297469273676437 Energy: 1.2716923294174465 Energy: 1.298141395497716 Energy: 1.3288935303236085 Energy: 1.2738232187214822 Energy: 1.2783649849613443 Energy: 1.3198893702160663 Energy: 1.2785780220664624 Energy: 1.2738232187150886 Energy: 1.2783649849323095 Energy: 1.3198893701903165 Energy: 1.257104988006825 Energy: 1.310125695325104 Energy: 1.3174494552013327 Energy: 1.2865292288484529 Energy: 1.2571049879906946 Energy: 1.3101256953509124 Energy: 1.3174494552142373 Energy: 1.2882955659118644 Energy: 1.2995524980597963 Energy: 1.3915532915412316 Energy: 1.2978675636725994 Energy: 1.2882955659279949 Energy: 1.2995524980436661 Energy: 1.3915532915089706 Energy: 1.299432357845141 Energy: 1.2907491963957989 Energy: 1.3315924770402856 Energy: 1.3534906478197481 Energy: 1.2994323578515934 Energy: 1.2907491963506923 Energy: 1.331592477046738 Energy: 1.3331529734930236 Energy: 1.3326298985168281 Energy: 1.3487459635403367 Energy: 1.2776870455600808 Energy: 1.3331529735027021 Energy: 1.3326298984877936 Energy: 1.3487459635177537 Energy: 1.3908643676705073 Energy: 1.3614826571161798 Energy: 1.4487002233088804 Energy: 1.313375184796217 Energy: 1.3908643676801855 Energy: 1.3614826571290841 Energy: 1.448700223295976 Energy: 1.2720153784787749 Energy: 1.3510589748652455 Energy: 1.3435739493747907 Energy: 1.2825679170840736 Energy: 1.2720153784787749 Energy: 1.3510589748878283 Energy: 1.343573949384469 Energy: 1.2882099200337511 Energy: 1.2922761585833598 Energy: 1.3933045866262128 Energy: 1.2959333669818183 Energy: 1.288209920027299 Energy: 1.292276158560777 Energy: 1.393304586639117 Energy: 1.3422588723399536 Energy: 1.344588702912686 Energy: 1.3231005848980308 Energy: 1.3461118804890988 Energy: 1.3422588723044668 Energy: 1.3445887029191383 Energy: 1.3231005848625437 Energy: 1.304350683464821 Energy: 1.306675350753902 Energy: 1.3313814577262717 Energy: 1.3094338752266448 Energy: 1.304350683461595 Energy: 1.3066753507345454 Energy: 1.3313814577391174 Energy: 1.27557448768931 Energy: 1.2699065472430602 Energy: 1.3903423430971726 Energy: 1.3125046893004833 Energy: 1.2755744876474298 Energy: 1.2699065472591906 Energy: 1.3903423431036248 Energy: 1.3104149035452166 Energy: 1.2863753188767861 Energy: 1.348866980299435 Energy: 1.3097091660968951 Energy: 1.3104149035484427 Energy: 1.2863753189251774 Energy: 1.348866980247818 Energy: 1.2869677388088598 Energy: 1.266590866465919 Energy: 1.368885134293938 Energy: 1.2699828996493137 Energy: 1.2869677387636946 Energy: 1.2665908664981798 Energy: 1.368885134287486 Energy: 1.271505216637558 Energy: 1.2921106468501498 Energy: 1.3735981289765824 Energy: 1.2919672418814312 Energy: 1.2715052166504037 Energy: 1.2921106467727825 Energy: 1.3735981289153454 Energy: 1.273324311433111 Energy: 1.2885805103528762 Energy: 1.3844253116061183 Energy: 1.2877539917695597 Energy: 1.2733243113943982 Energy: 1.2885805103851369 Energy: 1.3844253116125707 Energy: 1.2837891867768523 Energy: 1.2782846446367062 Energy: 1.331222048442049 Energy: 1.321151326555097 Energy: 1.2837891868380893 Energy: 1.2782846446785867 Energy: 1.3312220484581794 Energy: 1.3220323892501769 Energy: 1.2894939964634091 Energy: 1.3494925351440135 Energy: 1.2959641180381718 Energy: 1.3220323892211419 Energy: 1.289493996534383 Energy: 1.3494925351859526 Energy: 1.2872697992966418 Energy: 1.2990581008707451 Energy: 1.3961160192270186 Energy: 1.2929750481222988 Energy: 1.2872697992095374 Energy: 1.2990581008707451 Energy: 1.3961160191850797 Energy: 1.2941822372500043 Energy: 1.2913048136178864 Energy: 1.3608799132925185 Energy: 1.3341201122111095 Energy: 1.294182237246778 Energy: 1.2913048136856344 Energy: 1.3608799132441272 Energy: 1.3482590619089199 Energy: 1.2868667619459475 Energy: 1.3712758608917814 Energy: 1.2833225802445434 Energy: 1.3482590618314938 Energy: 1.2868667618975564 Energy: 1.3712758609208164 Energy: 1.3396317118088825 Energy: 1.3583371010051413 Energy: 1.3596604702030115 Energy: 1.3586223906283994 Energy: 1.3396317118056562 Energy: 1.3583371010244978 Energy: 1.3596604702481765 Energy: 1.331058217207645 Energy: 1.2965276696609573 Energy: 1.4206870865830157 Energy: 1.2866756170408655 Energy: 1.3310582172108711 Energy: 1.2965276696641832 Energy: 1.4206870865894676 Energy: 1.2722344598020445 Energy: 1.2814484527481667 Energy: 1.4164040762838024 Energy: 1.3017865057148656 Energy: 1.2722344597697839 Energy: 1.281448452735262 Energy: 1.4164040762838024 Energy: 1.287136245571182 Energy: 1.3401543386034958 Energy: 1.3447495730272407 Energy: 1.3510194582378754 Energy: 1.287136245574408 Energy: 1.3401543386293047 Energy: 1.344749573004658 Energy: 1.3225911820245926 Energy: 1.2819383586879134 Energy: 1.3335924507699959 Energy: 1.2936494879143312 Energy: 1.3225911819794274 Energy: 1.2819383586588786 Energy: 1.3335924507732217 Energy: 1.2928626195576658 Energy: 1.2866133489725038 Energy: 1.3867496025491468 Energy: 1.2805135158538448 Energy: 1.292862619502881 Energy: 1.2866133489208864 Energy: 1.386749602584634 Energy: 1.3002897884021694 Energy: 1.279008407775992 Energy: 1.3091052240367254 Energy: 1.2788384999890896 Energy: 1.3002897884118478 Energy: 1.279008407775992 Energy: 1.3091052239947862 Energy: 1.2712835463791934 Energy: 1.2800383276311504 Energy: 1.332965973716561 Energy: 1.3183392377289926 Energy: 1.271283546395324 Energy: 1.280038327624698 Energy: 1.3329659737714046 Energy: 1.2870684677423825 Energy: 1.3389955462197312 Energy: 1.404504823903488 Energy: 1.2983975365725846 Energy: 1.2870684677230848 Energy: 1.3389955462197312 Energy: 1.4045048239422009 Energy: 1.2571755370377222 Energy: 1.3104159235879778 Energy: 1.3835347684189205 Energy: 1.2885514283316404 Energy: 1.2571755369796527 Energy: 1.3104159235009318 Energy: 1.3835347684350512 Energy: 1.2724232461413125 Energy: 1.2851899457736813 Energy: 1.3597195467641776 Energy: 1.2679996698982863 Energy: 1.2724232461445386 Energy: 1.285189945796264 Energy: 1.359719546744821 Energy: 1.322144345854634 Energy: 1.317786256015641 Energy: 1.3732855662100758 Energy: 1.313103759822258 Energy: 1.322144345851408 Energy: 1.3177862559995104 Energy: 1.3732855662293735 Energy: 1.3443242122288837 Energy: 1.3029875533384805 Energy: 1.3276992965886079 Energy: 1.2933033282276174 Energy: 1.3443242122643704 Energy: 1.3029875533255761 Energy: 1.327699296643451 Energy: 1.3400574456388705 Energy: 1.2933105604821007 Energy: 1.3986778923769936 Energy: 1.342863207175689 Energy: 1.3400574456808096 Energy: 1.2933105604498398 Energy: 1.398677892357637 Energy: 1.3437905037428053 Energy: 1.282183939229349 Energy: 1.344240130376349 Energy: 1.302149409405308 Energy: 1.3437905037492575 Energy: 1.282183939293871 Energy: 1.3442401303731233 Energy: 1.3906556332518976 Energy: 1.3128596072524805 Energy: 1.4220928011263165 Energy: 1.3605169560115236 Energy: 1.3906556332099584 Energy: 1.3128596072235046 Energy: 1.422092801110186 Energy: 1.3345982541983552 Energy: 1.2906699478837569 Energy: 1.3487437071153086 Energy: 1.2896517061653594 Energy: 1.334598254191903 Energy: 1.2906699479289219 Energy: 1.3487437070637498 Energy: 1.2576471294888039 Energy: 1.3029727679424448 Energy: 1.3250601012380634 Energy: 1.3014838728093172 Energy: 1.2576471295017084 Energy: 1.3029727679456709 Energy: 1.3250601012412893 Energy: 1.28713214544774 Energy: 1.3471866147260716 Energy: 1.3829301919411428 Energy: 1.3511801558553616 Energy: 1.2871321454638704 Energy: 1.3471866147196194 Energy: 1.3829301919669514 Energy: 1.2568990719992 Energy: 1.2878212395847242 Energy: 1.3256533377296345 Energy: 1.2869411457655817 Energy: 1.2568990720056519 Energy: 1.2878212396395674 Energy: 1.3256533377328608 minimum gb energy = 1.2568990719992 eV minimum distance = 2.20448615045781 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.26191177167312 Energy: 1.3204717546755655 Energy: 1.408667843907616 Energy: 1.319607242297088 Energy: 1.2619117716767823 Energy: 1.3204717546792275 Energy: 1.3526338617150477 Energy: 1.2594191335252556 Energy: 1.2719594288734624 Energy: 1.423494213252377 Energy: 1.3039230996711286 Energy: 1.259419133510608 Energy: 1.2719594288478286 Energy: 1.3471604866336324 Energy: 1.2642731072640034 Energy: 1.2872155355046453 Energy: 1.367622981816683 Energy: 1.2826259074457078 Energy: 1.264273107242032 Energy: 1.2872155354754162 Energy: 1.3658504840610433 Energy: 1.2983756334579395 Energy: 1.3119967624407458 Energy: 1.3890779864484455 Energy: 1.2765667492930315 Energy: 1.2983756334689254 Energy: 1.3119967624517317 Energy: 1.378532997564705 Energy: 1.2979824293280857 Energy: 1.3020133170320507 Energy: 1.3898021618599112 Energy: 1.2771375076762626 Energy: 1.2979824293280857 Energy: 1.3020133170466985 Energy: 1.3724796616807617 Energy: 1.2645003066225031 Energy: 1.2779588038966618 Energy: 1.276039960834111 Energy: 1.3119974671739645 Energy: 1.2645003066408127 Energy: 1.2779588039076477 Energy: 1.2715548766129063 Energy: 1.2905066032440815 Energy: 1.3086236573286867 Energy: 1.288304179023862 Energy: 1.2922872485729826 Energy: 1.2905066032367578 Energy: 1.3086236573360106 Energy: 1.2883041789945666 Energy: 1.2905259650100929 Energy: 1.2773944250708547 Energy: 1.3028921618612863 Energy: 1.305200496588951 Energy: 1.2905259650247407 Energy: 1.2773944250635307 Energy: 1.3028921618649485 Energy: 1.264286331494846 Energy: 1.2777878122202113 Energy: 1.3109326314430674 Energy: 1.2798232715291356 Energy: 1.2642863314875221 Energy: 1.2777878122311972 Energy: 1.310932631476025 Energy: 1.2981422583943771 Energy: 1.2906688609691062 Energy: 1.4036742207869295 Energy: 1.2709199101939832 Energy: 1.2981422584273348 Energy: 1.2906688609727683 Energy: 1.4009701029428696 Energy: 1.2986516991378692 Energy: 1.3360728338266534 Energy: 1.2762397943881765 Energy: 1.27243681145239 Energy: 1.2986516991378692 Energy: 1.3360728338266534 Energy: 1.2762397943918382 Energy: 1.2644299411405941 Energy: 1.290100050448308 Energy: 1.413763579506187 Energy: 1.2918158496436047 Energy: 1.2644299411479183 Energy: 1.2901000504519702 Energy: 1.4137635794769579 Energy: 1.2572900058465744 Energy: 1.2878800000884973 Energy: 1.317992786075612 Energy: 1.2888876103199427 Energy: 1.2572900058282648 Energy: 1.2878800000738495 Energy: 1.2999192166385307 Energy: 1.2524501389889056 Energy: 1.3204717547011993 Energy: 1.305249728789792 Energy: 1.3196072423153975 Energy: 1.2524501390035534 Energy: 1.3204717546902132 Energy: 1.3052497288117635 Energy: 1.2594191335215936 Energy: 1.271959428877124 Energy: 1.3937829685161254 Energy: 1.3067922354162844 Energy: 1.2594191335142697 Energy: 1.2719594288588143 Energy: 1.3192957310254847 Energy: 1.2642731072530178 Energy: 1.2872155354900638 Energy: 1.365850484057381 Energy: 1.2826259074420459 Energy: 1.2642731072456939 Energy: 1.2872155354754162 Energy: 1.365850484057381 Energy: 1.2983756334616017 Energy: 1.3075194959841265 Energy: 1.3919764790310445 Energy: 1.2765667493003554 Energy: 1.2983756334616017 Energy: 1.307519495969479 Energy: 1.345468159054322 Energy: 1.2979824293427333 Energy: 1.2986434866290422 Energy: 1.3766731575441535 Energy: 1.277137507657953 Energy: 1.2979824293244235 Energy: 1.2986434866363663 Energy: 1.398699595900082 Energy: 1.264474944956505 Energy: 1.2779588039039858 Energy: 1.3543383380007736 Energy: 1.3119974671812884 Energy: 1.2644749449784767 Energy: 1.2779588038929999 Energy: 1.320785200728876 Energy: 1.290522976456498 Energy: 1.3086236573250247 Energy: 1.295328349258533 Energy: 1.2922872485839683 Energy: 1.2905229764418502 Energy: 1.3086236573360106 Energy: 1.295328349265857 Energy: 1.2905519117521356 Energy: 1.2773944250671927 Energy: 1.308459151734575 Energy: 1.3051758108480676 Energy: 1.2905519117484736 Energy: 1.2773944250526115 Energy: 1.3028921618649485 Energy: 1.2642863314875221 Energy: 1.2777878122311972 Energy: 1.3588944642936112 Energy: 1.2798232715364595 Energy: 1.2642863314801982 Energy: 1.277787812227535 Energy: 1.3588944643229066 Energy: 1.2981422583943771 Energy: 1.290668860980092 Energy: 1.3564437647017478 Energy: 1.2709199101866595 Energy: 1.2981422584200109 Energy: 1.2906688609691062 Energy: 1.3564437647054097 Energy: 1.2986516991415311 Energy: 1.3212708918586686 Energy: 1.2762397943991621 Energy: 1.2724368114487281 Energy: 1.2986516991342072 Energy: 1.3212708918696545 Energy: 1.2762397943955002 Energy: 1.2642738039760364 Energy: 1.290100050455632 Energy: 1.4048389781038555 Energy: 1.2918158496362808 Energy: 1.2642738039540646 Energy: 1.290100050455632 Energy: 1.4048389781001935 Energy: 1.2447098909298462 Energy: 1.2878800000665258 Energy: 1.3863867735974484 Energy: 1.2888876103272666 Energy: 1.2447098909408318 Energy: 1.2878800000701875 Energy: 1.3863867735937867 Energy: 1.2619117716402293 Energy: 1.3204717546865514 Energy: 1.3526338617369527 Energy: 1.3196072423007497 Energy: 1.2619117716657962 Energy: 1.3204717546755655 Energy: 1.3526338617260334 Energy: 1.2594191335179317 Energy: 1.271959428880786 Energy: 1.3192957310584423 Energy: 1.3039230996747906 Energy: 1.2594191335142697 Energy: 1.2719594288551526 Energy: 1.3192957310144988 Energy: 1.2642731072530178 Energy: 1.2872155354973214 Energy: 1.365850484057381 Energy: 1.2826259074457078 Energy: 1.264273107242032 Energy: 1.2872155354717543 Energy: 1.3658504840500572 Energy: 1.2983756334579395 Energy: 1.3119967624480697 Energy: 1.38523063741535 Energy: 1.2765667492930315 Energy: 1.2983756334689254 Energy: 1.3119967624590556 Energy: 1.38523063741535 Energy: 1.2979824293500573 Energy: 1.3020133170357127 Energy: 1.3663574060416375 Energy: 1.2771375076799245 Energy: 1.2979824293317475 Energy: 1.3020133170320507 Energy: 1.3663574060562853 Energy: 1.2645003066151792 Energy: 1.2779588039113094 Energy: 1.3193963430501057 Energy: 1.3119974671703027 Energy: 1.2645003066481368 Energy: 1.2779588039076477 Energy: 1.3193963430208104 Energy: 1.2905066032514054 Energy: 1.3086236573469299 Energy: 1.3389611686579466 Energy: 1.2922872485986163 Energy: 1.2905066032514054 Energy: 1.3086236573432677 Energy: 1.3389611686579466 Energy: 1.2905259650210787 Energy: 1.2773944250781786 Energy: 1.308459151738237 Energy: 1.3052004966072606 Energy: 1.2905259650320648 Energy: 1.2773944250526115 Energy: 1.3084591517162651 Energy: 1.264286331494846 Energy: 1.2777878122421829 Energy: 1.337351922819278 Energy: 1.2798232715437832 Energy: 1.264286331494846 Energy: 1.2777878122348587 Energy: 1.3373519228412496 Energy: 1.2981422583980393 Energy: 1.290668860983754 Energy: 1.3203632947273312 Energy: 1.2709199101866595 Energy: 1.2981422584273348 Energy: 1.2906688609727683 Energy: 1.3203632947382504 Energy: 1.2986516991342072 Energy: 1.336072833804682 Energy: 1.276239794402824 Energy: 1.2724368114414042 Energy: 1.2986516991269499 Energy: 1.336072833804682 Energy: 1.276239794402824 Energy: 1.2644299411259465 Energy: 1.2901000504592939 Energy: 1.391460780614896 Energy: 1.2918158496436047 Energy: 1.2644299411369324 Energy: 1.2901000504592939 Energy: 1.39146078062222 Energy: 1.2572900058465744 Energy: 1.2878800000811734 Energy: 1.3863867735864628 Energy: 1.2888876103236047 Energy: 1.257290005809955 Energy: 1.2878800000848354 Energy: 1.3863867735974484 Energy: 1.2524501389925675 Energy: 1.3204717546865514 Energy: 1.3000963581762495 Energy: 1.3196072423007497 Energy: 1.2524501389998914 Energy: 1.3204717546828897 Energy: 1.30009635815794 Energy: 1.2594191335215936 Energy: 1.2719594288917055 Energy: 1.319295731047456 Energy: 1.3067922354199466 Energy: 1.2594191335142697 Energy: 1.2719594288588143 Energy: 1.3192957310218225 minimum gb energy = 1.2447098909298462 eV minimum distance = 2.21400947959415 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.3791983736756754 Energy: 1.2960233384826862 Energy: 1.4261979629313462 Energy: 1.2901992721655005 Energy: 1.3791983736811722 Energy: 1.2960233384793036 Energy: 1.3948876630992184 Energy: 1.3592798670172423 Energy: 1.3185226986793102 Energy: 1.3273427810477951 Energy: 1.3421177461572855 Energy: 1.3592798670248536 Energy: 1.3185226986818475 Energy: 1.3273427810477951 Energy: 1.3068208474641183 Energy: 1.3391628995988127 Energy: 1.3940369985230199 Energy: 1.3117607352188405 Energy: 1.3068208474636958 Energy: 1.3391628995988127 Energy: 1.3940369985238654 Energy: 1.29446707997986 Energy: 1.283140828391315 Energy: 1.3779283687525823 Energy: 1.307533936669755 Energy: 1.2944670799777458 Energy: 1.2831408283985035 Energy: 1.377928368750468 Energy: 1.3170864567510032 Energy: 1.2955171421073572 Energy: 1.3683504000637823 Energy: 1.3114853605633692 Energy: 1.3170864567526943 Energy: 1.2955171421107399 Energy: 1.3683504000333373 Energy: 1.296319783720548 Energy: 1.2636056025627467 Energy: 1.339050995009337 Energy: 1.3075679083787828 Energy: 1.2963197837163196 Energy: 1.2636056025504843 Energy: 1.339050995007223 Energy: 1.2992728435883172 Energy: 1.291547633531408 Energy: 1.324392373250785 Energy: 1.3355065851799646 Energy: 1.2992728435938141 Energy: 1.2915476335330995 Energy: 1.380261816758778 Energy: 1.2957038472819629 Energy: 1.2839836908648397 Energy: 1.3908232691975764 Energy: 1.2839830946027708 Energy: 1.2957038472713918 Energy: 1.2839836908656856 Energy: 1.3908232692051876 Energy: 1.2856115174965959 Energy: 1.285170825021534 Energy: 1.419795627473094 Energy: 1.2828769175226655 Energy: 1.28561151750167 Energy: 1.2851708250126541 Energy: 1.4042655342516859 Energy: 1.2888483960847907 Energy: 1.3237738388825562 Energy: 1.3479682649934288 Energy: 1.2912883629791936 Energy: 1.2888483960822537 Energy: 1.3237738388787506 Energy: 1.3479682649938516 Energy: 1.3325928079966805 Energy: 1.281936531445384 Energy: 1.3883748590658413 Energy: 1.2806919156066836 Energy: 1.3325928079962575 Energy: 1.2819365314496127 Energy: 1.3883748590700697 Energy: 1.3323746143948794 Energy: 1.3296856565090043 Energy: 1.3506191443535296 Energy: 1.322774631991638 Energy: 1.3323746144003765 Energy: 1.3296856565077357 Energy: 1.3506191443535296 Energy: 1.3266063175449827 Energy: 1.2593254584935563 Energy: 1.3698898205675936 Energy: 1.3032861742836994 Energy: 1.3266063175394855 Energy: 1.2593254584867908 Energy: 1.3698898205540628 Energy: 1.2874926696313425 Energy: 1.326947900412456 Energy: 1.3489477146354454 Energy: 1.311806801741937 Energy: 1.287492669627114 Energy: 1.3269479004082272 Energy: 1.3489477146379827 Energy: 1.330226583368649 Energy: 1.3044950597701896 Energy: 1.348641409540366 Energy: 1.3034634024205198 Energy: 1.3302265833787974 Energy: 1.304495059766384 Energy: 1.3486414095437484 Energy: 1.3157071348873777 Energy: 1.3227810178569082 Energy: 1.3615761693379045 Energy: 1.3247940350354435 Energy: 1.3157071348882234 Energy: 1.3227810178505655 Energy: 1.3615761693400188 Energy: 1.3532396079848357 Energy: 1.259473899267113 Energy: 1.3446938673614952 Energy: 1.325162371155037 Energy: 1.3532396079818758 Energy: 1.2594738992700727 Energy: 1.3446938673640325 Energy: 1.2914022391122089 Energy: 1.2917375590982232 Energy: 1.3159354482136165 Energy: 1.3376651355178573 Energy: 1.291402239107558 Energy: 1.2917375590897664 Energy: 1.315935448216999 Energy: 1.2995842288416048 Energy: 1.2827245538527872 Energy: 1.4197528940606168 Energy: 1.2838651261416676 Energy: 1.2995842288331865 Energy: 1.2827245538523646 Energy: 1.4197528940593482 Energy: 1.2957319976035127 Energy: 1.2835219051436408 Energy: 1.3744562096496447 Energy: 1.2851286879002635 Energy: 1.2957319976128154 Energy: 1.283521905146178 Energy: 1.3744562096496447 Energy: 1.2865257303196418 Energy: 1.3231851438413007 Energy: 1.3239353558396576 Energy: 1.2916138546475162 Energy: 1.2865257303310587 Energy: 1.3231851438421465 Energy: 1.3459018638354852 Energy: 1.294023455083491 Energy: 1.2756218807503217 Energy: 1.302556688079839 Energy: 1.2832715764926146 Energy: 1.2940234550851824 Energy: 1.2756218807490534 Energy: 1.3025566880857586 Energy: 1.3770547604636416 Energy: 1.3115023383214446 Energy: 1.3751926822484237 Energy: 1.295574976092554 Energy: 1.3770547604678314 Energy: 1.3115023383269415 Energy: 1.3680343468247536 Energy: 1.310921104992669 Energy: 1.260913816333603 Energy: 1.3889230750975612 Energy: 1.303106877423512 Energy: 1.310921104982098 Energy: 1.260913816331912 Energy: 1.3889230751072865 Energy: 1.3025855796910482 Energy: 1.3118947770598794 Energy: 1.3511050711186232 Energy: 1.3263041397321804 Energy: 1.3025855796910482 Energy: 1.3118947770641078 Energy: 1.3765263121263949 Energy: 1.3285596223779954 Energy: 1.304981809696522 Energy: 1.3144068386255285 Energy: 1.323580039262905 Energy: 1.3285596223834923 Energy: 1.3049818097003276 Energy: 1.31440683862426 Energy: 1.3451559834931375 Energy: 1.289955610781446 Energy: 1.3797083787208984 Energy: 1.2899587744641048 Energy: 1.3451559835045543 Energy: 1.28995561079244 Energy: 1.4199261775566716 Energy: 1.3764359117704823 Energy: 1.2619178597569751 Energy: 1.3609136818287684 Energy: 1.317841655114074 Energy: 1.3764359117645624 Energy: 1.2619178597519012 Energy: 1.3609136818287684 Energy: 1.3186589759442902 Energy: 1.3260799037631352 Energy: 1.4372855221526544 Energy: 1.3195872758072411 Energy: 1.3186589759383702 Energy: 1.3260799037639808 Energy: 1.4376334300189373 Energy: 1.2961424957079926 Energy: 1.2727583997394671 Energy: 1.3796136449156922 Energy: 1.260972834102853 Energy: 1.2961424957113752 Energy: 1.2727583997356615 Energy: 1.3796136449156922 Energy: 1.3323767610076283 Energy: 1.2955812478185023 Energy: 1.3344768608495285 Energy: 1.3237953302107444 Energy: 1.3323767610139707 Energy: 1.295581247813428 Energy: 1.3344768608520656 Energy: 1.2941651245226846 Energy: 1.3044337678667184 Energy: 1.3187754842172017 Energy: 1.275478065848901 Energy: 1.2941651245324104 Energy: 1.3044337678607982 Energy: 1.3187754842095905 Energy: 1.2859252660073184 Energy: 1.287884472673325 Energy: 1.3184815943094153 Energy: 1.319139309011411 Energy: 1.2859252660056266 Energy: 1.2878844726737475 Energy: 1.3512460938414157 Energy: 1.2956805698091938 Energy: 1.2846292115783806 Energy: 1.4151422950523231 Energy: 1.2836071182509987 Energy: 1.295680569810462 Energy: 1.2846292115754208 Energy: 1.415142295058243 Energy: 1.3135812213640556 Energy: 1.2838741653799042 Energy: 1.3644434249474398 Energy: 1.287897815812889 Energy: 1.313581221371244 Energy: 1.2838741653858239 Energy: 1.3947279003246336 Energy: 1.2869428577736077 Energy: 1.3207267609225928 Energy: 1.4282655913283648 Energy: 1.2915316989271115 Energy: 1.2869428577677264 Energy: 1.3207267609323183 Energy: 1.4282655913203308 minimum gb energy = 1.2593254584867908 eV minimum distance = 2.22984117081316 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.2794130210695234 Energy: 1.3131639132301294 Energy: 1.3949055997285995 Energy: 1.3134006186118217 Energy: 1.2794130211103993 Energy: 1.3131639132341215 Energy: 1.3187320558128919 Energy: 1.2628862522747828 Energy: 1.3137495710219638 Energy: 1.2385809268536037 Energy: 1.3511664928163463 Energy: 1.262886252279274 Energy: 1.3137495709935183 Energy: 1.2385809268147243 Energy: 1.2795494150467501 Energy: 1.1913520836321303 Energy: 1.2955740419063215 Energy: 1.2604939569837563 Energy: 1.279549415035272 Energy: 1.1913520836396159 Energy: 1.2955740419108128 Energy: 1.263380794443916 Energy: 1.3131998008093353 Energy: 1.2386456030349176 Energy: 1.2838352294006667 Energy: 1.2633807944414208 Energy: 1.3131998008153238 Energy: 1.2386456030379116 Energy: 1.3401971385092972 Energy: 1.261053851299234 Energy: 1.2294620350871923 Energy: 1.2605095297751605 Energy: 1.3401971384953695 Energy: 1.2610538512488765 Energy: 1.229462035069726 Energy: 1.263259042674822 Energy: 1.2829249043337714 Energy: 1.3520215701249971 Energy: 1.2905476664137052 Energy: 1.2632590426404335 Energy: 1.2829249043307773 Energy: 1.3520215701384712 Energy: 1.416800396192782 Energy: 1.2610322739808824 Energy: 1.3353182078920083 Energy: 1.261026944026784 Energy: 1.4168003962147397 Energy: 1.2610322739604218 Energy: 1.3353182078920083 Energy: 1.2636942175477353 Energy: 1.220483317515136 Energy: 1.3350927238227284 Energy: 1.22074262466926 Energy: 1.2636942175622075 Energy: 1.220483317499167 Energy: 1.3350927238376995 Energy: 1.4167865284804662 Energy: 1.2605193933019279 Energy: 1.3637114827780659 Energy: 1.2610411859257369 Energy: 1.4167865284780163 Energy: 1.2605193933263805 Energy: 1.324533278419994 Energy: 1.2632035865801352 Energy: 1.2905926131840262 Energy: 1.3517809707195447 Energy: 1.2829470467106634 Energy: 1.2632035865661622 Energy: 1.2905926131905139 Energy: 1.3517809707025774 Energy: 1.3401675249375131 Energy: 1.260528162395057 Energy: 1.2763363160352224 Energy: 1.2610647673056843 Energy: 1.340167524943003 Energy: 1.2605281623875715 Energy: 1.276336316033725 Energy: 1.2635801211787785 Energy: 1.2838220010192705 Energy: 1.2387468372904595 Energy: 1.3134648920846235 Energy: 1.2635801211917537 Energy: 1.2838220009978116 Energy: 1.2387468373138693 Energy: 1.2793406163844416 Energy: 1.26038690138743 Energy: 1.2767777563258322 Energy: 1.1916356648002129 Energy: 1.2793406163814476 Energy: 1.2603869013943712 Energy: 1.2874044664330022 Energy: 1.2628374496401478 Energy: 1.3511239982209395 Energy: 1.2386956587909101 Energy: 1.3136757726972583 Energy: 1.2628374496156947 Energy: 1.351123998189001 Energy: 1.2386956588078775 Energy: 1.2794130210705217 Energy: 1.3131639132321256 Energy: 1.384146374026004 Energy: 1.3134006186168121 Energy: 1.2794130211084034 Energy: 1.3131639132406092 Energy: 1.3729285711260324 Energy: 1.262886252279274 Energy: 1.3137495710219638 Energy: 1.2385809268541028 Energy: 1.3511664928068645 Energy: 1.2628862522797735 Energy: 1.313749570990524 Energy: 1.2385809268242058 Energy: 1.279549415044754 Energy: 1.1913520836366216 Energy: 1.2955740419083177 Energy: 1.2604939569832574 Energy: 1.279549415030781 Energy: 1.1913520836446063 Energy: 1.295574041914306 Energy: 1.2633807944449142 Energy: 1.3131998008078383 Energy: 1.2386456030329214 Energy: 1.283835229405158 Energy: 1.263380794442419 Energy: 1.313199800816322 Energy: 1.238645603031923 Energy: 1.3401971385028097 Energy: 1.261053851300232 Energy: 1.2294620350856953 Energy: 1.2605095297741624 Energy: 1.3401971384933733 Energy: 1.2610538512508727 Energy: 1.2294620350652345 Energy: 1.2632590426683343 Energy: 1.2829249043332724 Energy: 1.3520215701249971 Energy: 1.2905476664142044 Energy: 1.2632590426384374 Energy: 1.2829249043352686 Energy: 1.3520215701384712 Energy: 1.4168003961877917 Energy: 1.2610322739823794 Energy: 1.2364263888488336 Energy: 1.2610269440282813 Energy: 1.4168003962162365 Energy: 1.2610322739634159 Energy: 1.236426388839352 Energy: 1.2636942175482342 Energy: 1.2204833175091476 Energy: 1.3350927238257224 Energy: 1.2207426246647686 Energy: 1.2636942175627064 Energy: 1.2204833174941765 Energy: 1.335092723833707 Energy: 1.416786528478969 Energy: 1.2605193933024268 Energy: 1.2810571432696987 Energy: 1.2610411859207469 Energy: 1.4167865284755208 Energy: 1.2605193933248835 Energy: 1.281057143247242 Energy: 1.2632035865821316 Energy: 1.2905926131850243 Energy: 1.3517809707220398 Energy: 1.282947046708168 Energy: 1.2632035865691564 Energy: 1.2905926131925098 Energy: 1.3517809707055715 Energy: 1.3401675249355174 Energy: 1.2605281623910647 Energy: 1.2761946123842396 Energy: 1.261064767303688 Energy: 1.340167524946496 Energy: 1.260528162394059 Energy: 1.2618844698759866 Energy: 1.2635801211812738 Energy: 1.2838220010038 Energy: 1.238746837294951 Energy: 1.3134648920841245 Energy: 1.2635801212002373 Energy: 1.2838220009933656 Energy: 1.2387468373168633 Energy: 1.2793406163929253 Energy: 1.260386901387929 Energy: 1.283440364946213 Energy: 1.191635664805702 Energy: 1.2793406163804495 Energy: 1.2603869013928741 Energy: 1.2834403649482093 Energy: 1.2628374496396486 Energy: 1.3511239982229357 Energy: 1.238695658789413 Energy: 1.3136757726992545 Energy: 1.2628374496226813 Energy: 1.351123998195988 Energy: 1.238695658807378 Energy: 1.2794130210695234 Energy: 1.313163913226636 Energy: 1.3570523633499776 Energy: 1.3134006186123206 Energy: 1.2794130211103993 Energy: 1.3131639132356188 Energy: 1.357052363356964 Energy: 1.2628862522757809 Energy: 1.3137495710214646 Energy: 1.2385809268516077 Energy: 1.3511664928173444 Energy: 1.2628862522827675 Energy: 1.3137495709925202 Energy: 1.2385809268157222 minimum gb energy = 1.1913520836321303 eV minimum distance = 2.28013524468979 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.3483322046226363 Energy: 1.3904311474119506 Energy: 1.436860138086898 Energy: 1.3906808774524189 Energy: 1.3483322046389927 Energy: 1.3904311474125568 Energy: 1.3240224618500975 Energy: 1.3795228341377868 Energy: 1.2904916540459557 Energy: 1.313926733688887 Energy: 1.292892700919127 Energy: 1.379522834150481 Energy: 1.2904916540405034 Energy: 1.3139267336937335 Energy: 1.3489056414636447 Energy: 1.2884751923418585 Energy: 1.3673689737682138 Energy: 1.2884061905959026 Energy: 1.3489056414721259 Energy: 1.2884751923327713 Energy: 1.3673689737651848 Energy: 1.3558396983514247 Energy: 1.290956619845567 Energy: 1.3656585736086193 Energy: 1.2960846543682691 Energy: 1.3558396983526364 Energy: 1.29095661983648 Energy: 1.3656585736098308 Energy: 1.2908992797306313 Energy: 1.3318780380965702 Energy: 1.2906882662799872 Energy: 1.3329864472936634 Energy: 1.29089927972942 Energy: 1.3318780380971762 Energy: 1.2906882662866512 Energy: 1.3558684553079545 Energy: 1.2873908833474372 Energy: 1.345704749918635 Energy: 1.3041837777612013 Energy: 1.3558684552915978 Energy: 1.2873908833377443 Energy: 1.345704749930118 Energy: 1.3488855162380502 Energy: 1.2571709744732895 Energy: 1.2929072017829983 Energy: 1.309643008834669 Energy: 1.3488855162368387 Energy: 1.2571709744805595 Energy: 1.292907201783604 Energy: 1.349210827879074 Energy: 1.2879419035084707 Energy: 1.3437923105823262 Energy: 1.3040772729235408 Energy: 1.3492108278784682 Energy: 1.2879419035121056 Energy: 1.3437923105702099 Energy: 1.3489970693463238 Energy: 1.298375003137673 Energy: 1.3201184841999232 Energy: 1.3049040504074993 Energy: 1.3489970693523818 Energy: 1.2983750031358556 Energy: 1.320118484199317 Energy: 1.3352583856229945 Energy: 1.2868807620212726 Energy: 1.3102638505836317 Energy: 1.303667021125005 Energy: 1.3352583856223887 Energy: 1.2868807620170317 Energy: 1.3102638505781796 Energy: 1.3542122590791936 Energy: 1.2958433439673915 Energy: 1.3431107462554173 Energy: 1.2980048266867084 Energy: 1.3542122590731356 Energy: 1.2958433439819035 Energy: 1.3431107462560228 Energy: 1.2320324282013553 Energy: 1.2663566766699843 Energy: 1.3157625460228166 Energy: 1.2654523742699506 Energy: 1.232032428201961 Energy: 1.2663566766639258 Energy: 1.3157625460300864 Energy: 1.353981373585069 Energy: 1.296924990017708 Energy: 1.330024067075603 Energy: 1.291422332467362 Energy: 1.3539813735887036 Energy: 1.2969249899947146 Energy: 1.3164038089961532 Energy: 1.2319122583492788 Energy: 1.2661783912338531 Energy: 1.3425115064176734 Energy: 1.2670791168309194 Energy: 1.2319122583450381 Energy: 1.266178391239911 Energy: 1.3425115064431175 Energy: 1.3572709853391969 Energy: 1.2423525660110437 Energy: 1.361882007477268 Energy: 1.2938628552800022 Energy: 1.3572709853361677 Energy: 1.2423525660219483 Energy: 1.361882007482114 Energy: 1.2324792485105078 Energy: 1.3649850331584237 Energy: 1.3186144787941523 Energy: 1.3261360895228418 Energy: 1.2324792485038714 Energy: 1.3649850331499425 Energy: 1.3186144787965757 Energy: 1.3571956148296287 Energy: 1.242203044302608 Energy: 1.3335804633446757 Energy: 1.2940628344328147 Energy: 1.3571956148302344 Energy: 1.242203044303214 Energy: 1.33358046334407 Energy: 1.2323126305016765 Energy: 1.3057447936592976 Energy: 1.316934706532968 Energy: 1.3478147218222665 Energy: 1.2323126304883487 Energy: 1.3057447936550568 Energy: 1.3169347065226693 Energy: 1.3492145312425456 Energy: 1.242372291795778 Energy: 1.405321392505243 Energy: 1.2951145433671685 Energy: 1.3492145312491821 Energy: 1.242372291799413 Energy: 1.4053213924967618 Energy: 1.2319795972711642 Energy: 1.3527141884131004 Energy: 1.3045317903231994 Energy: 1.352910446455899 Energy: 1.2319795972602594 Energy: 1.3527141884161293 Energy: 1.304531790321382 Energy: 1.3492519593906553 Energy: 1.2952228998311468 Energy: 1.405130332468823 Energy: 1.2423339060214866 Energy: 1.3492519593833858 Energy: 1.2952228998323585 Energy: 1.4051303324646096 Energy: 1.2325248512260731 Energy: 1.3478795698814707 Energy: 1.3169037224547258 Energy: 1.3058404916385016 Energy: 1.2325248512436413 Energy: 1.3478795698863173 Energy: 1.3169037224565432 Energy: 1.356957390230557 Energy: 1.2940720226123255 Energy: 1.330217399074 Energy: 1.2421751962594934 Energy: 1.3569573902408556 Energy: 1.2940720226080848 Energy: 1.3302173990770292 Energy: 1.2325176047586404 Energy: 1.3261416271820323 Energy: 1.3201621796890048 Energy: 1.3650113747923152 Energy: 1.2325176047604578 Energy: 1.326141627196572 Energy: 1.3201621796932455 Energy: 1.357176401495474 Energy: 1.293850539743399 Energy: 1.3452451435499395 Energy: 1.2426327115661089 Energy: 1.357176401516044 Energy: 1.2938505397373408 Energy: 1.3452451435541803 minimum gb energy = 1.2319122583450381 eV minimum distance = 2.26814430551872 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.315015188946185 Energy: 1.394855483122799 Energy: 1.2741128166552769 Energy: 1.3950160234489737 Energy: 1.315015188949566 Energy: 1.3948554831092748 Energy: 1.3130261003970942 Energy: 1.3666531996120481 Energy: 1.347514550601034 Energy: 1.3228832624998406 Energy: 1.3478440910180294 Energy: 1.36665319961881 Energy: 1.3475145505570805 Energy: 1.3228832624998406 Energy: 1.315129613112241 Energy: 1.3368760819441647 Energy: 1.3740079188224563 Energy: 1.3350421664167476 Energy: 1.3151296131088601 Energy: 1.3368760819543075 Energy: 1.3740079188055514 Energy: 1.2596848714155209 Energy: 1.346201253993392 Energy: 1.3117837442111053 Energy: 1.3483178012896109 Energy: 1.2596848714019968 Energy: 1.346201254010297 Energy: 1.311783744157009 Energy: 1.3536104810432787 Energy: 1.2785350148469514 Energy: 1.3211942655546702 Energy: 1.2838981111540013 Energy: 1.3536104810398977 Energy: 1.2785350148334271 Energy: 1.3211942655648132 Energy: 1.260740737018101 Energy: 1.2971598315380133 Energy: 1.3456291397114177 Energy: 1.299832329424133 Energy: 1.260740736984291 Energy: 1.2971598315616804 Energy: 1.345629139657321 Energy: 1.2956060088070194 Energy: 1.279894217293481 Energy: 1.3544555848117115 Energy: 1.2849984007738804 Energy: 1.295606008793495 Energy: 1.2798942173239103 Energy: 1.3544555848150925 Energy: 1.2638926358489737 Energy: 1.300063537490133 Energy: 1.3866499349467776 Energy: 1.2859593321698621 Energy: 1.2638926358422116 Energy: 1.300063537476609 Energy: 1.386649934973826 Energy: 1.2961224600209873 Energy: 1.2723896697986692 Energy: 1.420866607810488 Energy: 1.2794040225001213 Energy: 1.2961224600243684 Energy: 1.2723896697818255 Energy: 1.3829374538176342 Energy: 1.248679737617428 Energy: 1.2975026808894254 Energy: 1.4511197503088058 Energy: 1.2925696796640558 Energy: 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1.2878117338159722 Energy: 1.4179197473566423 Energy: 1.331983810206122 Energy: 1.3402224544293924 Energy: 1.2878117337315083 Energy: 1.3893357451789525 Energy: 1.250270772978054 Energy: 1.2902852506796114 Energy: 1.355017292808521 Energy: 1.291425537439359 Energy: 1.250270772974673 Energy: 1.2902852506796114 Energy: 1.3550172928659983 Energy: 1.3416543623039905 Energy: 1.2844185065791525 Energy: 1.362760203278647 Energy: 1.273164567071047 Energy: 1.3416543622972286 Energy: 1.2844185065284985 Energy: 1.3446512356864198 Energy: 1.2932577432740424 Energy: 1.285053087417234 Energy: 1.3780344643899105 Energy: 1.2910243380839774 Energy: 1.2932577432808048 Energy: 1.285053087417234 Energy: 1.3780344643696245 Energy: 1.294941881743264 Energy: 1.3353888378717422 Energy: 1.3186679709951192 Energy: 1.4036522892108612 Energy: 1.294941881726359 Energy: 1.335388837868361 Energy: 1.3186679709748328 Energy: 1.2944595230566356 Energy: 1.3442610727110962 Energy: 1.459528128906822 Energy: 1.2899258630848942 Energy: 1.2944595230972078 Energy: 1.3442610727719544 Energy: 1.4595281289405708 Energy: 1.3652880220021377 Energy: 1.3318310792146821 Energy: 1.3002502817675368 Energy: 1.4061797883420402 Energy: 1.3652880219683274 Energy: 1.3318310792552543 Energy: 1.3814519642125436 Energy: 1.29299316282125 Energy: 1.392021404133524 Energy: 1.4545745533485492 Energy: 1.3652232307436738 Energy: 1.2929931628111684 Energy: 1.3920214041504289 Energy: 1.4545745533215013 Energy: 1.364707747369077 Energy: 1.3321754032852573 Energy: 1.304022846447064 Energy: 1.405716389360888 Energy: 1.3647077473454097 Energy: 1.3321754032515085 Energy: 1.300715266957561 Energy: 1.2936027271167903 Energy: 1.3385494726911724 Energy: 1.3986022190910739 Energy: 1.290057510578989 Energy: 1.293602727079599 Energy: 1.3385494726675669 Energy: 1.398602219104598 Energy: 1.337057358492529 Energy: 1.332320988538319 Energy: 1.3166767899971779 Energy: 1.4065381490698643 Energy: 1.337057358492529 Energy: 1.3323209885450809 Energy: 1.3166767900140826 Energy: 1.2938375226933825 Energy: 1.2769027788394214 Energy: 1.3886889284304766 Energy: 1.2874610080294004 Energy: 1.2938375226900016 Energy: 1.2769027788866945 Energy: 1.3886889284710489 Energy: 1.3385076325519107 Energy: 1.2888294437173966 Energy: 1.3180721304160363 Energy: 1.3438209107588936 Energy: 1.3385076325586729 Energy: 1.2888294437004915 Energy: 1.3180721303789062 Energy: 1.2971105718763924 Energy: 1.2823142165435129 Energy: 1.3727216310221517 Energy: 1.291748006404614 Energy: 1.297110571839201 Energy: 1.2823142165232884 Energy: 1.3727216310153896 Energy: 1.2960847774544184 Energy: 1.268625890236197 Energy: 1.3723621815802614 Energy: 1.3388494139726597 Energy: 1.2960847774544184 Energy: 1.268625890266626 Energy: 1.3723621815498321 Energy: 1.2970808279249102 Energy: 1.289985702495504 Energy: 1.336425805684992 Energy: 1.274959500823551 Energy: 1.2970808279282913 Energy: 1.2899857025360761 Energy: 1.3364258056241949 Energy: 1.2960000485037921 Energy: 1.278239738791281 Energy: 1.3576704998912268 Energy: 1.3432840815704223 Energy: 1.2960000485173162 Energy: 1.2782397387845188 Energy: 1.357670499911513 Energy: 1.294932168120692 Energy: 1.2814162449983517 Energy: 1.3347545074482468 Energy: 1.2748385413252599 Energy: 1.2949321681308352 Energy: 1.281416245018638 Energy: 1.3347545074651515 Energy: 1.296421958040775 Energy: 1.3400381813658722 Energy: 1.438820312840144 Energy: 1.3249383821217142 Energy: 1.296421958040775 Energy: 1.3400381813523483 Energy: 1.438820312836763 Energy: 1.2955314643295162 Energy: 1.3445915266395652 Energy: 1.394934226605174 Energy: 1.326937266337007 Energy: 1.2955314643261966 Energy: 1.344591526632803 Energy: 1.3949342265883302 Energy: 1.3582233739706895 Energy: 1.3493738627342158 Energy: 1.4218063420385936 Energy: 1.336369748637589 Energy: 1.3582233739470224 Energy: 1.3493738627206917 Energy: 1.4218063419744158 Energy: 1.2954721344598106 Energy: 1.306669575932583 Energy: 1.4805863048246124 Energy: 1.353126747408504 Energy: 1.2954721344361433 Energy: 1.3066695759461069 Energy: 1.4805863048110883 Energy: 1.2993139308254558 Energy: 1.3492263347690205 Energy: 1.4079388695532717 Energy: 1.3363526475367165 Energy: 1.2993139307984074 Energy: 1.3492263347690205 Energy: 1.4079388694789507 Energy: 1.3006291261498668 Energy: 1.3080007032145795 Energy: 1.5298659223907043 Energy: 1.2926466038645543 Energy: 1.300629126170153 Energy: 1.3080007031976744 Energy: 1.5298659223096212 Energy: 1.2503829085512168 Energy: 1.3442204366574553 Energy: 1.353715681673191 Energy: 1.3396522438544565 Energy: 1.2503829085410738 Energy: 1.3442204366541357 Energy: 1.3537156816630478 minimum gb energy = 1.248679737617428 eV minimum distance = 2.22681628231713 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.2782220671844036 Energy: 1.1392997146081125 Energy: 1.3386663872246873 Energy: 1.1392997145966781 Energy: 1.2782220671866906 Energy: 1.1392997146004895 Energy: 1.3326218774361591 Energy: 1.2782220671744937 Energy: 1.1392997146111616 Energy: 1.2872464175061713 Energy: 1.1392997146119241 Energy: 1.2782220671760183 Energy: 1.1392997146073502 Energy: 1.6171146659277262 Energy: 1.2782220671813544 Energy: 1.13929971461726 Energy: 1.2954928829143464 Energy: 1.1392997146164978 Energy: 1.2782220671813544 Energy: 1.1392997146004895 Energy: 1.1352642119264986 Energy: 1.278222067178305 Energy: 1.1392997146119241 Energy: 1.28724641979891 Energy: 1.139299714606588 Energy: 1.2782220671790676 Energy: 1.1392997146043011 Energy: 1.490679789955289 Energy: 1.278222067180592 Energy: 1.1392997146027763 Energy: 1.5099726998342038 Energy: 1.1392997146096373 Energy: 1.27822206717983 Energy: 1.1392997146088748 Energy: 1.3461039161300752 Energy: 1.2782220671729692 Energy: 1.1392997146096373 Energy: 1.4312710775191566 Energy: 1.1392997146004895 Energy: 1.278222067177543 Energy: 1.1392997145951536 Energy: 1.291418859404032 Energy: 1.2782220671866906 Energy: 1.1392997146180224 Energy: 1.3456009633277963 Energy: 1.1392997146134487 Energy: 1.2782220671836413 Energy: 1.1392997146096373 Energy: 1.4378324872660249 Energy: 1.2782220671737314 Energy: 1.1392997146081125 Energy: 1.4977030191071503 Energy: 1.13929971461726 Energy: 1.2782220671752562 Energy: 1.139299714602014 Energy: 1.5080933669624488 Energy: 1.278222067182879 Energy: 1.1392997146035386 Energy: 1.28123573740812 Energy: 1.1392997146180224 Energy: 1.2782220671790676 Energy: 1.13929971461726 Energy: 1.266474648420075 Energy: 1.2782220671752562 Energy: 1.1392997146073502 Energy: 1.262891562104609 Energy: 1.139299714606588 Energy: 1.2782220671790676 Energy: 1.139299714614973 Energy: 1.3500382930727683 Energy: 1.2782220671767806 Energy: 1.1392997146027763 Energy: 1.3500562228518065 Energy: 1.1392997145997272 Energy: 1.278222067182879 Energy: 1.1392997146012518 Energy: 1.459703831586923 Energy: 1.2782220671752562 Energy: 1.1392997145974404 Energy: 1.2185265840669064 Energy: 1.1392997146043011 Energy: 1.2782220671767806 Energy: 1.1392997146012518 Energy: 1.266474648417788 Energy: 1.2782220671790676 Energy: 1.1392997146088748 Energy: 1.2914188594177531 Energy: 1.1392997145951536 Energy: 1.2782220671844036 Energy: 1.1392997146103994 Energy: 1.2664746484193126 Energy: 1.2782220671729692 Energy: 1.1392997146103994 Energy: 1.2664746484193126 Energy: 1.1392997146164978 Energy: 1.2782220671752562 Energy: 1.1392997146088748 Energy: 1.2664746483811982 Energy: 1.2782220671821167 Energy: 1.1392997145928667 Energy: 1.2185265840653818 Energy: 1.1392997146027763 Energy: 1.2782220671821167 Energy: 1.1392997146088748 Energy: 1.2914188594230893 Energy: 1.278222067178305 Energy: 1.1392997146058255 Energy: 1.1426566962930211 Energy: 1.1392997146058255 Energy: 1.2782220671813544 Energy: 1.139299714594391 Energy: 1.2664746484185505 Energy: 1.2782220671790676 Energy: 1.139299714606588 Energy: 1.2914188594131795 Energy: 1.1392997145966781 Energy: 1.2782220671836413 Energy: 1.1392997146081125 Energy: 1.2664746483789457 Energy: 1.2782220671744937 Energy: 1.139299714591342 Energy: 1.218526584058521 Energy: 1.1392997146218338 Energy: 1.2782220671722069 Energy: 1.1392997146096373 Energy: 1.1352642048852566 Energy: 1.2782220671866906 Energy: 1.1392997146111616 Energy: 1.1212007363505299 Energy: 1.1392997145974404 Energy: 1.2782220671851656 Energy: 1.1392997146096373 Energy: 1.2664746484170257 Energy: 1.2782220671722069 Energy: 1.1392997146012518 Energy: 1.135264205119939 Energy: 1.139299714598965 Energy: 1.278222067177543 Energy: 1.1392997146164978 Energy: 1.266474648376659 minimum gb energy = 1.1212007363505299 eV minimum distance = 2.27520450114241 Angstroms sigma value = 23