Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.050199627876282 cohesive_energy=3.5802838199389533 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 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: 0.01109955430684645 Energy: 0.012016974917929383 Energy: 0.3513364862421497 Energy: 0.012016974917929383 Energy: 0.012016974917929383 Energy: 0.16989381936753634 Energy: 0.012016974917929383 Energy: 0.16989381936753634 Energy: 0.3513364862421497 Energy: 0.012016974917929383 Energy: 0.01109955430684645 Energy: 0.01201697491840129 Energy: 0.012016974917929383 Energy: 0.16989381936753634 Energy: 0.012016974917929383 Energy: 0.16989381936753634 minimum gb energy = 0.01109955430684645 eV minimum distance = 2.79668951818392 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.33780764029260824 Energy: 0.31476426641194366 Energy: 0.39441028409817597 Energy: 0.3147642664131557 Energy: 0.3160696560555526 Energy: 0.33410238857230035 Energy: 0.3160785017628551 Energy: 0.3341023885729063 Energy: 0.32060938671271383 Energy: 0.31024859052471454 Energy: 0.33034830467709286 Energy: 0.31024859052532056 Energy: 0.31561912229062994 Energy: 0.3226568886238489 Energy: 0.31803740763185606 Energy: 0.3226568886238489 Energy: 0.3217507382714501 Energy: 0.3158518539608023 Energy: 0.3222789139960189 Energy: 0.3158518539614083 Energy: 0.3179067900436594 Energy: 0.31530442923251645 Energy: 0.3170390385552007 Energy: 0.31530442923069857 Energy: 0.31736523672837547 Energy: 0.31092820690089307 Energy: 0.31901808233954543 Energy: 0.31092820690149914 Energy: 0.317703591873141 Energy: 0.31537549397364767 Energy: 0.318720629296652 Energy: 0.3153754939724357 Energy: 0.31808619679812955 Energy: 0.3242753716552715 Energy: 0.314793567371255 Energy: 0.32427537165648346 Energy: 0.3117166738364997 Energy: 0.31032108840787603 Energy: 0.3200083303428429 Energy: 0.31032108840848194 Energy: 0.31625074092321 Energy: 0.3281908422522073 Energy: 0.3180531474868937 Energy: 0.32819084225160133 Energy: 0.34594003127298645 Energy: 0.31523453773633997 Energy: 0.31418673731865526 Energy: 0.3152345377369459 Energy: 0.3154777768277043 Energy: 0.31043520278140063 Energy: 0.3172408448197977 Energy: 0.3104352027820066 Energy: 0.3244523491244024 Energy: 0.3155221682978709 Energy: 0.31425932338239404 Energy: 0.3155221682978709 Energy: 0.3306744388209901 Energy: 0.31632153812040253 Energy: 0.3210752584275383 Energy: 0.31632153812040253 Energy: 0.3304896574879914 Energy: 0.316165569020841 Energy: 0.32000700535852855 Energy: 0.31616556902023496 Energy: 0.32623380733548696 Energy: 0.3103742132008019 Energy: 0.3196374651221891 Energy: 0.31037421320019587 Energy: 0.31615751718564783 Energy: 0.3117017625049779 Energy: 0.31605914968139914 Energy: 0.31170176250558396 Energy: 0.3267501801897572 Energy: 0.31479876486659314 Energy: 0.3136359399819679 Energy: 0.31479876486538116 Energy: 0.31645289174113894 Energy: 0.3271172867412233 Energy: 0.31874251489193156 Energy: 0.32711728674182927 Energy: 0.3129256014128448 Energy: 0.31070327166378814 Energy: 0.31968469588327647 Energy: 0.31070327166378814 Energy: 0.3179984429143429 Energy: 0.323715646606667 Energy: 0.3154225140235155 Energy: 0.323715646606667 Energy: 0.33012349032459903 Energy: 0.3156161283257109 Energy: 0.31719588311798147 Energy: 0.3156161283238929 Energy: 0.3275256505290923 Energy: 0.310710145496298 Energy: 0.3186298057301907 Energy: 0.310710145496904 Energy: 0.3186988110656545 Energy: 0.31535624646658533 Energy: 0.31668382886075497 Energy: 0.31535624646658533 Energy: 0.32379056548185225 Energy: 0.31545201406164963 Energy: 0.31657523508386765 Energy: 0.31545201406164963 Energy: 0.3163490967667459 Energy: 0.32667291752012867 Energy: 0.3178833135615579 Energy: 0.32667291752012867 Energy: 0.32666266406996464 Energy: 0.31039179470996414 Energy: 0.3309084065677678 Energy: 0.31039179470935807 Energy: 0.31562339803486916 Energy: 0.3395615995595635 Energy: 0.31640713875255455 Energy: 0.3395615995595635 Energy: 0.3380004865430526 Energy: 0.3151001652971537 Energy: 0.3510431707037564 Energy: 0.31510016529533563 Energy: 0.3307103216502766 Energy: 0.31528108395719223 Energy: 0.3156672271882065 Energy: 0.31528108395598026 Energy: 0.31474692590270076 Energy: 0.3106358444125301 Energy: 0.3246247914512503 Energy: 0.3106358444125301 Energy: 0.32205321016036814 Energy: 0.323816068475059 Energy: 0.3166562539930266 Energy: 0.323816068475665 minimum gb energy = 0.31024859052471454 eV minimum distance = 2.59776052470587 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 0.35128625556583143 Energy: 0.3355562591426637 Energy: 0.37268792036506965 Energy: 0.3355562591440455 Energy: 0.33879472224491375 Energy: 0.33600477568720527 Energy: 0.32297491439931786 Energy: 0.33600477569411463 Energy: 0.32806624688046376 Energy: 0.33578857198065193 Energy: 0.32426224359515826 Energy: 0.33578857197927003 Energy: 0.3263751887014474 Energy: 0.33397387307923143 Energy: 0.32801943325046257 Energy: 0.3339738730806132 Energy: 0.3261689531592495 Energy: 0.3273048291719047 Energy: 0.3312302352522098 Energy: 0.3273048291739775 Energy: 0.35736987735648923 Energy: 0.3268660999068744 Energy: 0.3260834977645878 Energy: 0.32686609990414206 Energy: 0.3259613708291307 Energy: 0.35244505240976765 Energy: 0.32536743886976244 Energy: 0.3524450524090767 Energy: 0.3251251649410712 Energy: 0.33568963080365555 Energy: 0.3247373330270811 Energy: 0.3356896307953644 Energy: 0.32599981827644425 Energy: 0.33657653783881414 Energy: 0.32290413922229577 Energy: 0.33657653784226876 Energy: 0.31968101383059433 Energy: 0.3354613727290514 Energy: 0.33800239223370027 Energy: 0.33546137272974236 Energy: 0.3256590364047115 Energy: 0.3358274776337364 Energy: 0.3267498369761016 Energy: 0.33582747763650006 Energy: 0.32551965245155867 Energy: 0.3300294121016737 Energy: 0.3329361061935462 Energy: 0.3300294121044374 Energy: 0.32770799939642503 Energy: 0.3276295874692531 Energy: 0.3343773798733332 Energy: 0.3276295874692531 Energy: 0.32763455482651954 Energy: 0.3275707287861795 Energy: 0.3389743413664231 Energy: 0.3275707287861795 Energy: 0.32555125328065554 Energy: 0.33000994777677156 Energy: 0.3306688036711203 Energy: 0.3300099477774625 Energy: 0.32568507019721865 Energy: 0.33576388502000276 Energy: 0.32305626538679705 Energy: 0.3357638850179299 Energy: 0.31954841614264023 Energy: 0.3354412869587534 Energy: 0.3313364620626387 Energy: 0.33544128696151715 Energy: 0.325910778818039 Energy: 0.33663433246622276 Energy: 0.3228707095173561 Energy: 0.336634332463459 Energy: 0.32514154724085903 Energy: 0.3355008012414838 Energy: 0.323737648354366 Energy: 0.33550080123802917 Energy: 0.32570241579505066 Energy: 0.35262529593754327 Energy: 0.3282432946965664 Energy: 0.35262529593754327 Energy: 0.35731709209551776 Energy: 0.3268945223041392 Energy: 0.3235827195778242 Energy: 0.32689452230137545 Energy: 0.3263991740927122 Energy: 0.3272965614922903 Energy: 0.3262256877979223 Energy: 0.3272965614943631 Energy: 0.3263706817024926 Energy: 0.33411221708009453 Energy: 0.32497624056088964 Energy: 0.3341122170835492 Energy: 0.32804495925027677 Energy: 0.335736498961759 Energy: 0.3248464108162211 Energy: 0.3357364989610681 Energy: 0.33881734427734606 Energy: 0.3360696759407195 Energy: 0.32297222178616647 Energy: 0.33606967593657394 Energy: 0.35128625556583143 Energy: 0.3355562591426637 Energy: 0.36764608428705137 Energy: 0.3355562591440455 Energy: 0.33879472224353185 Energy: 0.3360047756878962 Energy: 0.32297491439931786 Energy: 0.33600477569411463 Energy: 0.3280662468797728 Energy: 0.33578857198065193 Energy: 0.3264715675673906 Energy: 0.33578857197927003 Energy: 0.32637518870213833 Energy: 0.33397387307923143 Energy: 0.3273869011794597 Energy: 0.3339738730806132 minimum gb energy = 0.31954841614264023 eV minimum distance = 2.52691889946902 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.3402828213647553 Energy: 0.3415523939866222 Energy: 0.4378925710330847 Energy: 0.3415523939874254 Energy: 0.3323503102220975 Energy: 0.3417624685529323 Energy: 0.33377248314355334 Energy: 0.3417624685537355 Energy: 0.334613333263594 Energy: 0.35908757027839183 Energy: 0.3332020720032655 Energy: 0.35908757027839183 Energy: 0.33702729665973163 Energy: 0.3500309546168262 Energy: 0.3314372036537628 Energy: 0.3500309546168262 Energy: 0.3314489390088697 Energy: 0.34229668284890674 Energy: 0.3358178919895837 Energy: 0.34229668284970993 Energy: 0.37062243216086305 Energy: 0.357544482489915 Energy: 0.3326365739395496 Energy: 0.357544482489915 Energy: 0.33265134552451137 Energy: 0.3318511376034464 Energy: 0.3396701912051706 Energy: 0.3318511376042496 Energy: 0.40736631664044864 Energy: 0.3421187689727498 Energy: 0.3280913180124943 Energy: 0.342118768973553 Energy: 0.33996512840283993 Energy: 0.3415401947349996 Energy: 0.3349414443287147 Energy: 0.3415401947349996 Energy: 0.33037743099479816 Energy: 0.3575193404376499 Energy: 0.3298326218866252 Energy: 0.35751934043845307 Energy: 0.33609495703710934 Energy: 0.34193593191788496 Energy: 0.3327158952803225 Energy: 0.3419359319194914 Energy: 0.3307070946081923 Energy: 0.34141833535168176 Energy: 0.33297680773651295 Energy: 0.34141833535168176 Energy: 0.3331584395534207 Energy: 0.3518948170456954 Energy: 0.3298835607636554 Energy: 0.35189481704489217 Energy: 0.34022359540912955 Energy: 0.3303293127954019 Energy: 0.33295164243167236 Energy: 0.3303293127954019 Energy: 0.3738689182058566 Energy: 0.3415275431740663 Energy: 0.3269278373349366 Energy: 0.3415275431732631 Energy: 0.3341479024403475 Energy: 0.3347864444897566 Energy: 0.33326479285774674 Energy: 0.3347864444889534 Energy: 0.3302626987323989 Energy: 0.3567611287404941 Energy: 0.32746445592124573 Energy: 0.35676112873969085 Energy: 0.3322384109540199 Energy: 0.34355963200560485 Energy: 0.3367888411259927 Energy: 0.34355963200560485 Energy: 0.33437857323531683 Energy: 0.3504031703178535 Energy: 0.3317785119257085 Energy: 0.35040317031865675 Energy: 0.3328377935139509 Energy: 0.35741108943689565 Energy: 0.3334428021792341 Energy: 0.3574110894376988 Energy: 0.335122062337963 Energy: 0.34210432521258183 Energy: 0.33522440697149203 Energy: 0.3421043252117787 Energy: 0.34067772872748153 Energy: 0.3420350426494952 Energy: 0.337293285015979 Energy: 0.3420350426511015 Energy: 0.3326918888832748 Energy: 0.3474688449627065 Energy: 0.33323735653629416 Energy: 0.34746884496190333 Energy: 0.33465471934549934 Energy: 0.3573282353643479 Energy: 0.33038368734117085 Energy: 0.35732823536354463 Energy: 0.3330966520327316 Energy: 0.3501431732102624 Energy: 0.3317903973335524 Energy: 0.3501431732102624 minimum gb energy = 0.3269278373349366 eV minimum distance = 2.53959607408928 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.3481218881589312 Energy: 0.3580853741835606 Energy: 0.4526137643873231 Energy: 0.3580853741835606 Energy: 0.34576665322678596 Energy: 0.3634899101090296 Energy: 0.3462648322626986 Energy: 0.36348991011094595 Energy: 0.35917186518355 Energy: 0.3568151714828668 Energy: 0.34905743565279085 Energy: 0.3568151714828668 Energy: 0.3468873242191185 Energy: 0.3733679073729399 Energy: 0.33301693813028294 Energy: 0.37336790737102354 Energy: 0.3881652516626764 Energy: 0.36024835417934453 Energy: 0.34453078042311397 Energy: 0.36024835418030277 Energy: 0.32375880279363717 Energy: 0.3567049785380315 Energy: 0.32763994793301504 Energy: 0.3567049785380315 Energy: 0.3425521973402756 Energy: 0.3584810310554352 Energy: 0.33324576831225394 Energy: 0.3584810310563933 Energy: 0.38384233121435857 Energy: 0.35812374632728594 Energy: 0.32720731438900547 Energy: 0.35812374632728594 Energy: 0.3422005511806334 Energy: 0.36356948675754475 Energy: 0.3492061702523345 Energy: 0.36356948675946105 Energy: 0.3470835773184797 Energy: 0.3582084682382532 Energy: 0.3321714658890551 Energy: 0.3582084682382532 Energy: 0.3320977443576307 Energy: 0.35855776781209037 Energy: 0.3451527535563318 Energy: 0.35855776781304854 Energy: 0.34715830315872037 Energy: 0.35978286345509075 Energy: 0.3329131623478036 Energy: 0.3597828634531744 Energy: 0.32351626745638096 Energy: 0.3583152852266385 Energy: 0.3439234208287998 Energy: 0.35831528522759665 Energy: 0.35244058162390945 Energy: 0.3577176876886102 Energy: 0.3464822424616864 Energy: 0.3577176876886102 Energy: 0.3235205759622312 Energy: 0.3583111435951751 Energy: 0.3634346606085522 Energy: 0.3583111435970914 Energy: 0.34717011592188257 Energy: 0.35981293323496677 Energy: 0.3328256944905441 Energy: 0.35981293323688307 Energy: 0.3320192209474699 Energy: 0.3584783336120636 Energy: 0.336511218606822 Energy: 0.3584783336139799 Energy: 0.347257505417903 Energy: 0.35814727547847286 Energy: 0.3337612187934331 Energy: 0.35814727547943104 Energy: 0.3422227149998968 Energy: 0.36356453416682094 Energy: 0.3361250072945614 Energy: 0.36356453416682094 Energy: 0.38383573429142276 Energy: 0.35791511047157876 Energy: 0.32725348951660055 Energy: 0.35791511047157876 Energy: 0.34252873257613087 Energy: 0.358408089763443 Energy: 0.3329912573551345 Energy: 0.358408089763443 minimum gb energy = 0.32351626745638096 eV minimum distance = 2.56720297311072 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.32711307369400006 Energy: 0.37859063826354394 Energy: 0.5106279238569641 Energy: 0.37859063826354394 Energy: 0.31924049582448094 Energy: 0.3567617958822772 Energy: 0.31565701206091445 Energy: 0.3567617958822772 Energy: 0.31562006845435747 Energy: 0.39234071602659176 Energy: 0.3155279294305916 Energy: 0.39234071602659176 Energy: 0.3290131246628211 Energy: 0.3791307183135079 Energy: 0.3899242704318534 Energy: 0.3791307183135079 Energy: 0.38690088416059576 Energy: 0.3612594035678266 Energy: 0.35153228909425327 Energy: 0.36125940356901154 Energy: 0.3172205808487946 Energy: 0.3931287493491994 Energy: 0.31670819905775965 Energy: 0.3931287493468295 Energy: 0.341398476929339 Energy: 0.3560474700719595 Energy: 0.3158639393318883 Energy: 0.3560474700731176 Energy: 0.321755643835572 Energy: 0.3800018244135779 Energy: 0.3291520602849095 Energy: 0.38000182441239294 Energy: 0.31556486640917925 Energy: 0.3561119541534311 Energy: 0.3207291444209021 Energy: 0.35611195415224617 Energy: 0.40134185776745823 Energy: 0.3685453143689598 Energy: 0.3171286151168282 Energy: 0.3685453143689598 Energy: 0.3529663979084275 Energy: 0.3779971889373357 Energy: 0.45735371147540743 Energy: 0.3779971889373357 Energy: 0.3158788234436626 Energy: 0.36600973413332666 Energy: 0.32839585761286966 Energy: 0.36600973413332666 Energy: 0.3909794052716223 Energy: 0.3918397121098522 Energy: 0.31516734080813785 Energy: 0.39183971211103713 Energy: 0.31569312881538086 Energy: 0.36199275666051095 Energy: 0.3289282058557464 Energy: 0.361992756659326 Energy: 0.3313279183070491 Energy: 0.3776071817022688 Energy: 0.3214657081364254 Energy: 0.3776071817022688 Energy: 0.3202961216282914 Energy: 0.39367082945606835 Energy: 0.3173860145038109 Energy: 0.39367082945725335 Energy: 0.3157214821696386 Energy: 0.34862750232906004 Energy: 0.3976912923284963 Energy: 0.34862750232906004 minimum gb energy = 0.31516734080813785 eV minimum distance = 2.62366863756624 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 0.37094399031927044 Energy: 0.3851652171768944 Energy: 0.5024255328347335 Energy: 0.38516521717753505 Energy: 0.3710288157892914 Energy: 0.3685170160723364 Energy: 0.3256531553152922 Energy: 0.3685170160716653 Energy: 0.36987987808503764 Energy: 0.3759978270695467 Energy: 0.3255824994068005 Energy: 0.3759978270695467 Energy: 0.3262754315226454 Energy: 0.3859244054650878 Energy: 0.3640148152802602 Energy: 0.3859244054637456 Energy: 0.37901602468713885 Energy: 0.3798073945540555 Energy: 0.3366094821675365 Energy: 0.3798073945527133 Energy: 0.3300079905276681 Energy: 0.38815319680773325 Energy: 0.3839709817109838 Energy: 0.38815319680907545 Energy: 0.3277523643765499 Energy: 0.3686136188515203 Energy: 0.32683612879193735 Energy: 0.3686136188515203 Energy: 0.38078561874007055 Energy: 0.38584043965163317 Energy: 0.3344610502012961 Energy: 0.38584043965163317 Energy: 0.3319738882770443 Energy: 0.3840024273102186 Energy: 0.40519863409166457 Energy: 0.38400242731156076 Energy: 0.4292476688899853 Energy: 0.3680340741513432 Energy: 0.32957770518268703 Energy: 0.3680340741506722 Energy: 0.3281811426886481 Energy: 0.3792146185818877 Energy: 0.3780228696439379 Energy: 0.379214618583901 Energy: 0.33386063242759845 Energy: 0.36819987881560945 Energy: 0.3340311376964829 Energy: 0.3681998788162805 Energy: 0.37140775511015484 Energy: 0.3796802888001683 Energy: 0.36912646581823716 Energy: 0.3796802887994972 Energy: 0.33005622379090555 Energy: 0.39117435440869086 Energy: 0.3799812344064783 Energy: 0.39117435440734866 Energy: 0.3677800540227784 Energy: 0.36980814669138073 Energy: 0.33204996680713494 Energy: 0.3698081466907402 Energy: 0.38000299674843696 Energy: 0.38601757084366767 Energy: 0.3886894316936289 Energy: 0.38601757084299665 Energy: 0.32718117009240344 Energy: 0.38410631018875957 Energy: 0.3745690600241683 Energy: 0.3841063101880885 Energy: 0.3798657262282222 Energy: 0.375201822644829 Energy: 0.3300084319423287 Energy: 0.37520182264550006 Energy: 0.36652362053801074 Energy: 0.3844309809867681 Energy: 0.3750889587659948 Energy: 0.3844309809867681 Energy: 0.32734377848619056 Energy: 0.4020333066534568 Energy: 0.3265335257523668 Energy: 0.40203330665412784 Energy: 0.3555370772698003 Energy: 0.37551906424996667 Energy: 0.3867665365105476 Energy: 0.37551906424929554 Energy: 0.3271382192487286 Energy: 0.40548737933690043 Energy: 0.41080807629112953 Energy: 0.40548737933757156 Energy: 0.40788748806930186 Energy: 0.3852216653842104 Energy: 0.32539707435789966 Energy: 0.3852216653842104 Energy: 0.33141234743941467 Energy: 0.3851802186215197 Energy: 0.3770703926911054 Energy: 0.3851802186215197 Energy: 0.356575707442797 Energy: 0.37572736123699924 Energy: 0.37796296058228823 Energy: 0.37572736123565703 Energy: 0.4065208375069606 Energy: 0.37946164600311777 Energy: 0.32610689015818606 Energy: 0.37946164600244664 Energy: 0.3358383210936366 Energy: 0.3915155177838545 Energy: 0.4205299897525296 Energy: 0.39151551778318344 Energy: 0.38375589395402626 Energy: 0.3697905524783868 Energy: 0.3769667576084832 Energy: 0.3697905524783868 Energy: 0.39930597371123155 Energy: 0.4013299752081196 Energy: 0.3280559932847111 Energy: 0.4013299752087907 Energy: 0.33436625568781314 Energy: 0.38386482156380225 Energy: 0.37938868711374985 Energy: 0.3838648215644733 minimum gb energy = 0.32539707435789966 eV minimum distance = 2.502396391706 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.29588856061327784 Energy: 0.29622354200118717 Energy: 0.5354934400420625 Energy: 0.29622354200118717 Energy: 0.372937949908525 Energy: 0.34130588366828996 Energy: 0.33535509340414826 Energy: 0.34130588366674497 Energy: 0.29642669315388076 Energy: 0.29639963915034795 Energy: 0.3514939748792766 Energy: 0.29639963914880296 Energy: 0.29651443172100983 Energy: 0.29636346887025566 Energy: 0.3511224150233991 Energy: 0.29636346887025566 Energy: 0.3729648399641764 Energy: 0.34127016147124717 Energy: 0.3353512163380222 Energy: 0.34127016147279216 Energy: 0.29588856061327784 Energy: 0.29622354200118717 Energy: 0.46228253860810525 Energy: 0.29622354200273215 Energy: 0.372937949908525 Energy: 0.34130588366983494 Energy: 0.3509431558383834 Energy: 0.34130588366828996 Energy: 0.2964266931554257 Energy: 0.29639963915034795 Energy: 0.3861433782547124 Energy: 0.29639963914725803 Energy: 0.29651443172100983 Energy: 0.2963634688718006 Energy: 0.37438292560785 Energy: 0.29636346887025566 Energy: 0.3729648399641764 Energy: 0.34127016146970224 Energy: 0.3695708349409352 Energy: 0.34127016147124717 Energy: 0.2958885606148228 Energy: 0.29622354200118717 Energy: 0.4742002375581213 Energy: 0.29622354200273215 Energy: 0.372937949908525 Energy: 0.34130588366983494 Energy: 0.3734060039744947 Energy: 0.34130588366828996 Energy: 0.2964266931554257 Energy: 0.29639963915034795 Energy: 0.3861433782547124 Energy: 0.29639963914880296 minimum gb energy = 0.29588856061327784 eV minimum distance = 2.5866689842031 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.34691725337272195 Energy: 0.4071046262377952 Energy: 0.5198251494059966 Energy: 0.4071046262383671 Energy: 0.40857388948927964 Energy: 0.3745661950997719 Energy: 0.35037401801865836 Energy: 0.37456619510091554 Energy: 0.34539994118847733 Energy: 0.3434469961785029 Energy: 0.35136869151796224 Energy: 0.34344699617907465 Energy: 0.39736311139245106 Energy: 0.405504354044504 Energy: 0.352229447345723 Energy: 0.40550435404621943 Energy: 0.3973764908468136 Energy: 0.3643655192893599 Energy: 0.3523052208011388 Energy: 0.36436551929050354 Energy: 0.3430429229424464 Energy: 0.34297969014960233 Energy: 0.40679162011871894 Energy: 0.34297969014960233 Energy: 0.46635662686661605 Energy: 0.3635699488542593 Energy: 0.35083994350497827 Energy: 0.3635699488536875 Energy: 0.34671933760735746 Energy: 0.40118736874134386 Energy: 0.40086367004404605 Energy: 0.40118736874191574 Energy: 0.3471890569243125 Energy: 0.4097782506508289 Energy: 0.34839860374900167 Energy: 0.4097782506508289 Energy: 0.3462252959261481 Energy: 0.3652892754038174 Energy: 0.3512654526601855 Energy: 0.3652892754038174 Energy: 0.34754964525806126 Energy: 0.40862852271949185 Energy: 0.4765365068865214 Energy: 0.4086285227183482 Energy: 0.4051180878355279 Energy: 0.430351314157019 Energy: 0.34846756714669097 Energy: 0.4303513141581626 Energy: 0.34744662365872864 Energy: 0.3833240034596104 Energy: 0.4302793573421665 Energy: 0.3833240034596104 Energy: 0.40417457965114845 Energy: 0.4050788427882195 Energy: 0.35065784875747325 Energy: 0.4050788427882195 Energy: 0.348128968774689 Energy: 0.38900224468910144 Energy: 0.40042573790213454 Energy: 0.3890022446908169 Energy: 0.34898428079547705 Energy: 0.41006167037515845 Energy: 0.4058165745931184 Energy: 0.41006167037458663 Energy: 0.37851341101942065 Energy: 0.3885190061792019 Energy: 0.3491616850613974 Energy: 0.3885190061780583 Energy: 0.3492332458682115 Energy: 0.3636142794797086 Energy: 0.4105319074738947 Energy: 0.3636142794791367 Energy: 0.40398994730888843 Energy: 0.38403527254695563 Energy: 0.34421878193023103 Energy: 0.38403527254809927 Energy: 0.35256282477018025 Energy: 0.3767530403853457 Energy: 0.38435783840390364 Energy: 0.3767530403847738 Energy: 0.40261175774751523 Energy: 0.40556646679439756 Energy: 0.40006322808814443 Energy: 0.4055664667949694 Energy: 0.3827058922984908 Energy: 0.3471491282914936 Energy: 0.3465847128899555 Energy: 0.34714912829034994 Energy: 0.34840319742082027 Energy: 0.3837874926057556 Energy: 0.346587829756504 Energy: 0.3837874926068992 Energy: 0.4939576842185859 Energy: 0.4012367237942194 Energy: 0.3464991599529351 Energy: 0.4012367237942194 Energy: 0.3502574683476692 Energy: 0.451854265060714 Energy: 0.4387286953671015 Energy: 0.4518542650595704 Energy: 0.3785706406962794 Energy: 0.343401547720918 Energy: 0.3456645081568035 Energy: 0.343401547720918 Energy: 0.386435005508369 Energy: 0.38261585940878 Energy: 0.39710681009097537 Energy: 0.38261585941049553 Energy: 0.3540091309915875 Energy: 0.4044822356523325 Energy: 0.3976198099928245 Energy: 0.40448223565290436 Energy: 0.37687074992612984 Energy: 0.3432344287736205 Energy: 0.34526417878126997 Energy: 0.3432344287736205 Energy: 0.3500661443548049 Energy: 0.4505224615076113 Energy: 0.4441806889274766 Energy: 0.45052246150646763 Energy: 0.46965930239336035 Energy: 0.4021625549598432 Energy: 0.34581041191694517 Energy: 0.40216255495869957 Energy: 0.3483267760707593 Energy: 0.36612005298988026 Energy: 0.3457790893018861 Energy: 0.3661200529910239 Energy: 0.35094763831737785 Energy: 0.34790519895540867 Energy: 0.34562857162648497 Energy: 0.3479051989559805 Energy: 0.4013907946528889 Energy: 0.4039739930224423 Energy: 0.39819984315428814 Energy: 0.40397399302187054 Energy: 0.350689004311941 Energy: 0.41270035525384446 Energy: 0.46663235987436935 Energy: 0.41270035525384446 minimum gb energy = 0.34297969014960233 eV minimum distance = 2.54695726124216 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 0.3718620256452977 Energy: 0.3772631616230706 Energy: 0.49759699721559925 Energy: 0.3772631616239778 Energy: 0.37823831932061364 Energy: 0.37591575466169236 Energy: 0.3546902985582857 Energy: 0.3759157546625996 Energy: 0.3481501222144907 Energy: 0.3538109933855546 Energy: 0.3548006896407592 Energy: 0.3538109933855546 Energy: 0.34979077969852485 Energy: 0.38464919951083115 Energy: 0.3513498914488237 Energy: 0.38464919951173837 Energy: 0.3736459324163121 Energy: 0.374914049839741 Energy: 0.36108324722827584 Energy: 0.37491404983701926 Energy: 0.3523043053953178 Energy: 0.35136730084539836 Energy: 0.44544383178295655 Energy: 0.35136730084539836 Energy: 0.4541048210725153 Energy: 0.3988960790181103 Energy: 0.3599238281235266 Energy: 0.3988960790181103 Energy: 0.34894645919250344 Energy: 0.34219472385562655 Energy: 0.4266287380298081 Energy: 0.3421947238547193 Energy: 0.4562464390718613 Energy: 0.3419069602035054 Energy: 0.34180261953593294 Energy: 0.3419069602035054 Energy: 0.34909346392859375 Energy: 0.38738664563096153 Energy: 0.3533626430735379 Energy: 0.38738664563186875 Energy: 0.34805228943755223 Energy: 0.3422726325154548 Energy: 0.42976960145104953 Energy: 0.3422726325145476 Energy: 0.3974703809246196 Energy: 0.3477153079987287 Energy: 0.3501486914432828 Energy: 0.3477153080005431 Energy: 0.3518018505740279 Energy: 0.37152774413208667 Energy: 0.4134943886069632 Energy: 0.3715277441311794 Energy: 0.45868310393071987 Energy: 0.3793550926815104 Energy: 0.35222192844534056 Energy: 0.3793550926824176 Energy: 0.34963181036982904 Energy: 0.40960741425918695 Energy: 0.4228422167570749 Energy: 0.40960741425737246 Energy: 0.429034560281975 Energy: 0.34227090106712216 Energy: 0.3487563060865114 Energy: 0.34227090106621494 Energy: 0.37796288498246366 Energy: 0.3856051819406272 Energy: 0.34809962297992064 Energy: 0.38560518194244175 Energy: 0.3732117588035528 Energy: 0.39697830406106505 Energy: 0.3486601289931585 Energy: 0.39697830406106505 Energy: 0.35501014641322143 Energy: 0.34199143575765717 Energy: 0.34834772427079197 Energy: 0.34199143575765717 Energy: 0.3519747867649396 Energy: 0.3881221286143691 Energy: 0.4399598439082118 Energy: 0.38812212861527634 Energy: 0.448439386564999 Energy: 0.35173851177960896 Energy: 0.35111729610882425 Energy: 0.35173851177960896 Energy: 0.3626607110425574 Energy: 0.38336172331612806 Energy: 0.3978261557865306 Energy: 0.38336172331703533 minimum gb energy = 0.34180261953593294 eV minimum distance = 2.54654015171995 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 0.36122555673651746 Energy: 0.36165518968798865 Energy: 0.51951311129623 Energy: 0.36165518968478105 Energy: 0.45277861073538417 Energy: 0.38751561123238315 Energy: 0.35917471781115684 Energy: 0.3875156112304586 Energy: 0.35219812456317356 Energy: 0.36263788733465624 Energy: 0.38023792049951555 Energy: 0.3626378873365808 Energy: 0.38032576880294533 Energy: 0.38596023555201764 Energy: 0.36734808144128156 Energy: 0.3859602355494516 Energy: 0.3532749533864357 Energy: 0.3862504578570739 Energy: 0.3701355580950889 Energy: 0.3862504578589985 Energy: 0.3546033745354184 Energy: 0.36287379309827394 Energy: 0.45594657382119164 Energy: 0.3628737931027354 Energy: 0.4199455643339184 Energy: 0.4137979557591535 Energy: 0.3720504708293285 Energy: 0.4137979557591535 Energy: 0.3547548463870885 Energy: 0.36164735922031005 Energy: 0.46562729426976607 Energy: 0.36164735922031005 Energy: 0.41120524504317674 Energy: 0.38421468837629474 Energy: 0.35639753812347386 Energy: 0.38421468837629474 Energy: 0.35861554482879543 Energy: 0.3966409790486715 Energy: 0.4118791907493415 Energy: 0.3966409790461054 Energy: 0.38806687370191095 Energy: 0.3641646603930712 Energy: 0.3754713646157733 Energy: 0.3641646603905051 Energy: 0.3756240994278114 Energy: 0.38665367995747196 Energy: 0.37727221882235373 Energy: 0.38665367995747196 Energy: 0.3666510737635892 Energy: 0.3624367999675155 Energy: 0.37466118446516133 Energy: 0.3624367999687693 Energy: 0.3803722200820292 Energy: 0.36206357151487245 Energy: 0.3729991115861075 Energy: 0.36206357151487245 Energy: 0.35739744122788114 Energy: 0.41992864469050933 Energy: 0.452921198558025 Energy: 0.41992864469179236 Energy: 0.5235796432119311 Energy: 0.3615566652309929 Energy: 0.35398461591883024 Energy: 0.361556665234842 Energy: 0.3660002966065858 Energy: 0.38867195910046104 Energy: 0.4115776590299207 Energy: 0.38867195910110247 Energy: 0.3707790292295927 Energy: 0.3836125440050592 Energy: 0.3733113064946152 Energy: 0.3836125440095498 Energy: 0.3576466299905615 Energy: 0.3748652344784636 Energy: 0.37527801554125984 Energy: 0.3748652344784636 Energy: 0.35850907010003685 Energy: 0.3873503283348855 Energy: 0.37555810206641493 Energy: 0.38735032833296096 Energy: 0.37959955660996986 Energy: 0.40106846154991016 Energy: 0.3561546917302854 Energy: 0.4010684615550423 Energy: 0.3547391823238171 Energy: 0.3627258545264066 Energy: 0.41374027033124744 Energy: 0.3627258545219451 Energy: 0.4449710136131955 Energy: 0.3847506887830798 Energy: 0.37196075898161923 Energy: 0.38475068878436286 Energy: 0.36337051830494277 Energy: 0.362096844369365 Energy: 0.45758314317680693 Energy: 0.3620968443667989 Energy: 0.3760768211342672 Energy: 0.38751811076448617 Energy: 0.3818304957700069 Energy: 0.387518110759354 Energy: 0.3809562820168043 Energy: 0.36262482769618043 Energy: 0.3831634033789682 Energy: 0.362624827698105 Energy: 0.35295050186251836 Energy: 0.39698021680928886 Energy: 0.40574720106691703 Energy: 0.3969802168105719 Energy: 0.37998225476179986 Energy: 0.3886528742234934 Energy: 0.36768276652909837 Energy: 0.3886528742215689 Energy: 0.3520130157234067 Energy: 0.36214103885776455 Energy: 0.43613743403041383 Energy: 0.36214103885134935 Energy: 0.44963234982507333 Energy: 0.36445046355627325 Energy: 0.3608665582748773 Energy: 0.36445046355306565 Energy: 0.35201561366790174 Energy: 0.36208839046173574 Energy: 0.46084461612850736 Energy: 0.36208839045916963 minimum gb energy = 0.3520130157234067 eV minimum distance = 2.51229025225884 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.35279878043016255 Energy: 0.36850701560215227 Energy: 0.6125146458705788 Energy: 0.3685070156017054 Energy: 0.36665021195010916 Energy: 0.33857126409637744 Energy: 0.35852102948733716 Energy: 0.3385712640937456 Energy: 0.38012843634011073 Energy: 0.3647588642849869 Energy: 0.4076124988318968 Energy: 0.36475886428540893 Energy: 0.36181782637679294 Energy: 0.34455247201378486 Energy: 0.3585618459976715 Energy: 0.34455247201333794 Energy: 0.3533570001561835 Energy: 0.36093520898960657 Energy: 0.368715162486428 Energy: 0.36093520898960657 Energy: 0.3793276147176716 Energy: 0.3643089880554504 Energy: 0.37949966252554496 Energy: 0.36430898805654294 Energy: 0.38016139044681163 Energy: 0.3609078808807046 Energy: 0.3533931995784917 Energy: 0.360907880880928 Energy: 0.3585517212755779 Energy: 0.3444242290469181 Energy: 0.3616931418307095 Energy: 0.34442422904602427 Energy: 0.40785305578204545 Energy: 0.36476853396411063 Energy: 0.34983803226303833 Energy: 0.36476853396368847 minimum gb energy = 0.3385712640937456 eV minimum distance = 2.59095397279127 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.3451307108136343 Energy: 0.3517550173458714 Energy: 0.5411590581751118 Energy: 0.35175501734465947 Energy: 0.4003751802692278 Energy: 0.3647750386632783 Energy: 0.332426875483093 Energy: 0.3647750386632783 Energy: 0.33892000783882703 Energy: 0.35486998807356657 Energy: 0.4169834120443578 Energy: 0.35486998807780845 Energy: 0.35305598607391914 Energy: 0.364010159334383 Energy: 0.33939273351468524 Energy: 0.364010159333171 Energy: 0.33823393497733006 Energy: 0.364150798080168 Energy: 0.42028079037867055 Energy: 0.364150798078956 Energy: 0.35638293429988505 Energy: 0.3710131832673765 Energy: 0.33904655837892567 Energy: 0.3710131832673765 Energy: 0.34510625291590125 Energy: 0.36586302584550306 Energy: 0.3503862914811111 Energy: 0.36586302584853303 Energy: 0.3423065105425469 Energy: 0.35575481470941267 Energy: 0.34263704320328026 Energy: 0.3557548147063827 Energy: 0.3459494274777741 Energy: 0.3644542096439578 Energy: 0.33815270336357894 Energy: 0.3644542096391099 Energy: 0.3426786265702105 Energy: 0.36060463175743046 Energy: 0.35880122120604985 Energy: 0.3606046317580365 Energy: 0.34857935637929355 Energy: 0.3645277874345864 Energy: 0.3374893137437348 Energy: 0.3645277874376163 Energy: 0.3381028844518597 Energy: 0.3787580971462057 Energy: 0.39992699574344814 Energy: 0.37875809714559966 Energy: 0.3799686906236029 Energy: 0.3532596193846736 Energy: 0.3485787069536883 Energy: 0.35325961938709755 Energy: 0.3381692310719896 Energy: 0.3540488068524515 Energy: 0.371985796506468 Energy: 0.3540488068530575 Energy: 0.41794916901651785 Energy: 0.3650244031602127 Energy: 0.3374698820367764 Energy: 0.3650244031577887 Energy: 0.340234083299939 Energy: 0.3513172440826154 Energy: 0.4236236017241687 Energy: 0.35131724408501175 Energy: 0.4070278055739965 Energy: 0.3695905484686599 Energy: 0.33679108210127456 Energy: 0.3695905484686599 Energy: 0.33922172371759846 Energy: 0.3545962198672208 Energy: 0.38922640004124986 Energy: 0.35459621986843276 Energy: 0.3474954591870782 Energy: 0.36660045586800005 Energy: 0.34015068869229087 Energy: 0.3666004558710301 Energy: 0.33995706022372896 Energy: 0.3738066502250179 Energy: 0.35059672637805445 Energy: 0.3738066502225939 Energy: 0.3420665788736116 Energy: 0.3634764779203373 Energy: 0.34065831817292586 Energy: 0.3634764779173074 Energy: 0.3407643444298236 Energy: 0.36142107316559496 Energy: 0.348753355236288 Energy: 0.3614210731686249 Energy: 0.3334038625474818 Energy: 0.36390462457057987 Energy: 0.33822518880628505 Energy: 0.36390462457057987 Energy: 0.399643160516102 Energy: 0.3481493056561468 Energy: 0.34030081681331836 Energy: 0.34814930565554086 Energy: 0.3928897935671712 Energy: 0.38295988992734475 Energy: 0.3404077747085189 Energy: 0.3829598899297687 Energy: 0.34812429103555026 Energy: 0.3559931677086744 Energy: 0.3384722142295945 Energy: 0.3559931677098863 Energy: 0.333973074059387 Energy: 0.36328979009271023 Energy: 0.3846250189089948 Energy: 0.3632897900921042 Energy: 0.36948233295797206 Energy: 0.3685411919810497 Energy: 0.33914959519874294 Energy: 0.36854119198165575 Energy: 0.33837250463231355 Energy: 0.3902684970216342 Energy: 0.3580946318253638 Energy: 0.3902684970210282 Energy: 0.3977262248071824 Energy: 0.3530975625733154 Energy: 0.33803255024559975 Energy: 0.3530975625696795 Energy: 0.3410781542484762 Energy: 0.3485503852902044 Energy: 0.38143865477120903 Energy: 0.3485503852914164 Energy: 0.41674918646249176 Energy: 0.3831992375830392 Energy: 0.3383002340412457 Energy: 0.3831992375836452 Energy: 0.34113793451034796 Energy: 0.3643604917992854 Energy: 0.3403164745131533 Energy: 0.3643604918023154 minimum gb energy = 0.332426875483093 eV minimum distance = 2.51908449968651 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 0.33115968389579375 Energy: 0.3314243028347398 Energy: 0.44053313101357755 Energy: 0.3314243028347398 Energy: 0.3291223087943871 Energy: 0.34205669531395155 Energy: 0.30807095919182315 Energy: 0.3420566953147894 Energy: 0.3158458907252259 Energy: 0.3316447717341845 Energy: 0.4723100376297691 Energy: 0.3316447717333467 Energy: 0.3232660019505511 Energy: 0.3487938536302781 Energy: 0.307231464417002 Energy: 0.3487938536286024 Energy: 0.3155131045508851 Energy: 0.3590704102714402 Energy: 0.38812804605652124 Energy: 0.35907041026976444 Energy: 0.31482120146232295 Energy: 0.37843245155980293 Energy: 0.3070400349795921 Energy: 0.37843245155980293 Energy: 0.31556910729583615 Energy: 0.3586193379994428 Energy: 0.3329439116404986 Energy: 0.35861933799611034 Energy: 0.31525444582847173 Energy: 0.34746609728865874 Energy: 0.35063771512094266 Energy: 0.347466097286983 Energy: 0.33143664185180904 Energy: 0.3224607529265693 Energy: 0.34236560518945175 Energy: 0.32246075292573134 Energy: 0.33156509849068205 Energy: 0.32230921937380497 Energy: 0.32710596548705273 Energy: 0.3223092193763186 Energy: 0.31531028373509 Energy: 0.34729216418933656 Energy: 0.35093860900275187 Energy: 0.3472921641901744 Energy: 0.3154063073837221 Energy: 0.35865152173640175 Energy: 0.3273130402642104 Energy: 0.3586515217355638 Energy: 0.3151413937173062 Energy: 0.3783320038870839 Energy: 0.30719731840789943 Energy: 0.3783320038887597 Energy: 0.31545611087730097 Energy: 0.35907272440083876 Energy: 0.33218014155795345 Energy: 0.35907272439916305 Energy: 0.3211721425695566 Energy: 0.34878457304774035 Energy: 0.30718647563161255 Energy: 0.3487845730494161 Energy: 0.315833546247597 Energy: 0.33162361631669934 Energy: 0.3629306431522459 Energy: 0.3316236163175372 Energy: 0.3291737110271865 Energy: 0.3427046663278346 Energy: 0.30734233298721214 Energy: 0.34270466632867247 Energy: 0.33115968389495587 Energy: 0.3314243028347398 Energy: 0.4454616339413457 Energy: 0.3314243028347398 Energy: 0.3291223087927113 Energy: 0.34205669531395155 Energy: 0.3080709591909852 Energy: 0.34205669531395155 Energy: 0.31584589072438796 Energy: 0.3316447717341845 Energy: 0.4723100376297691 Energy: 0.3316447717333467 Energy: 0.3232660019497132 Energy: 0.3487938536302781 Energy: 0.30723146441783994 Energy: 0.3487938536286024 Energy: 0.31551310455004716 Energy: 0.3590704102714402 Energy: 0.38812804605652124 Energy: 0.35907041026976444 Energy: 0.31482120146232295 Energy: 0.37843245155980293 Energy: 0.3070400349795921 Energy: 0.37843245155980293 Energy: 0.31556910729499826 Energy: 0.3586193379994428 Energy: 0.3223572873141569 Energy: 0.35861933799611034 minimum gb energy = 0.3070400349795921 eV minimum distance = 2.54841724595722 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.33444151370611047 Energy: 0.334933277223155 Energy: 0.45116142521598834 Energy: 0.3349332772257444 Energy: 0.401212095754612 Energy: 0.3292310206672621 Energy: 0.3230122369646199 Energy: 0.3292310206657085 Energy: 0.32083958729946577 Energy: 0.3336216146373148 Energy: 0.41666460879292405 Energy: 0.3336216146388684 Energy: 0.39791630086175234 Energy: 0.31758258035332 Energy: 0.3208644109790835 Energy: 0.3175825803528021 Energy: 0.32395343821504174 Energy: 0.35502809433505805 Energy: 0.37655095315764764 Energy: 0.3550280943335044 Energy: 0.326037679048476 Energy: 0.32357227834180236 Energy: 0.32244243903579034 Energy: 0.3235722783438738 Energy: 0.32458405934252904 Energy: 0.3515311245192126 Energy: 0.3345560494929505 Energy: 0.3515311245192126 Energy: 0.32030300516757065 Energy: 0.34547260232502075 Energy: 0.32509286980581426 Energy: 0.34547260232709226 Energy: 0.33993073693787745 Energy: 0.3390415248897683 Energy: 0.3444709901809659 Energy: 0.3390415248892504 Energy: 0.3412729531182488 Energy: 0.3387361683625772 Energy: 0.3265876038959467 Energy: 0.33873616836205933 Energy: 0.32124364040332565 Energy: 0.33599736009349906 Energy: 0.32964372633151096 Energy: 0.33599736009298115 Energy: 0.32208773859418016 Energy: 0.34444754433394714 Energy: 0.3295167403586641 Energy: 0.34444754433239355 Energy: 0.3250657454317596 Energy: 0.336999335715523 Energy: 0.3228235762585657 Energy: 0.3369993357144872 Energy: 0.32836172312621603 Energy: 0.35418010988574355 Energy: 0.33532775335162895 Energy: 0.35418010988522575 Energy: 0.3275081462512637 Energy: 0.3216093689987039 Energy: 0.3389300493336748 Energy: 0.3216093689987039 Energy: 0.3216411526181494 Energy: 0.3369988366086325 Energy: 0.3755799155246899 Energy: 0.3369988366081147 Energy: 0.3340476383709671 Energy: 0.31852448863489485 Energy: 0.3238256712994078 Energy: 0.31852448863489485 Energy: 0.3182561863162886 Energy: 0.3354725660399009 Energy: 0.33443243267870887 Energy: 0.33547256603782943 Energy: 0.3749347465779244 Energy: 0.3463343295747893 Energy: 0.3215814312967302 Energy: 0.3463343295773787 Energy: 0.3193838597773809 Energy: 0.33330820621152474 Energy: 0.36318398312703104 Energy: 0.33330820621204255 Energy: 0.3812370660517866 Energy: 0.3261552574241717 Energy: 0.31865873054160077 Energy: 0.32615525742468954 Energy: 0.3176470573995561 Energy: 0.3371461082825437 Energy: 0.36753260253456427 Energy: 0.3371461082846152 Energy: 0.3418142282532282 Energy: 0.3203848876408837 Energy: 0.3204469092388133 Energy: 0.32038488764191947 Energy: 0.3214121133395381 Energy: 0.35271535219357747 Energy: 0.3821948437878099 Energy: 0.35271535219409533 Energy: 0.3431544210902006 Energy: 0.33549364195068354 Energy: 0.31961681834528216 Energy: 0.3354936419517193 Energy: 0.3167182976615551 Energy: 0.35489925944003525 Energy: 0.34590290274530733 Energy: 0.3548992594389995 Energy: 0.3786244017543143 Energy: 0.33796699359331933 Energy: 0.32167606703435125 Energy: 0.3379669935938372 Energy: 0.3411077819616917 Energy: 0.37618844199234613 Energy: 0.32596496387012275 Energy: 0.37618844199234613 Energy: 0.34494582010267466 Energy: 0.35407460294519794 Energy: 0.32316143065357805 Energy: 0.35407460294468013 Energy: 0.31672966649320905 Energy: 0.3367762725805495 Energy: 0.34887228930805625 Energy: 0.33677627258003157 Energy: 0.3298855499228757 Energy: 0.3536556028907806 Energy: 0.3234490169702974 Energy: 0.3536556028887091 Energy: 0.3185028995852605 Energy: 0.33613207943466505 Energy: 0.3188150774859146 Energy: 0.3361320794351829 Energy: 0.3221731750340906 Energy: 0.33892367447376526 Energy: 0.3890371089081176 Energy: 0.33892367447065797 Energy: 0.34475543643861134 Energy: 0.37991074385334794 Energy: 0.320695057981088 Energy: 0.37991074385541945 Energy: 0.32680126875997373 Energy: 0.3385160785306406 Energy: 0.3415130608421827 Energy: 0.3385160785270155 Energy: 0.3538339038461789 Energy: 0.3522265604075318 Energy: 0.3232461323014649 Energy: 0.3522265604064961 Energy: 0.3204127768195598 Energy: 0.3192890664049425 Energy: 0.3278946252706491 Energy: 0.3192890664049425 Energy: 0.3762211617806575 Energy: 0.35575864026860315 Energy: 0.3177710883007889 Energy: 0.35575864027015675 minimum gb energy = 0.3167182976615551 eV minimum distance = 2.52856375511739 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.2875489900183881 Energy: 0.28774854076441725 Energy: 0.5768463340956242 Energy: 0.28774854076441725 Energy: 0.2945987199770454 Energy: 0.29267159484412175 Energy: 0.2960621120793916 Energy: 0.29267159484412175 Energy: 0.29433547612572286 Energy: 0.33210363237312923 Energy: 0.5596984654171323 Energy: 0.33210363237312923 Energy: 0.2977772002748396 Energy: 0.2925880804046313 Energy: 0.2958970815097805 Energy: 0.2925880804046313 Energy: 0.287937432271206 Energy: 0.3200226926730289 Energy: 0.30190129840702634 Energy: 0.3200226926730289 Energy: 0.29467465535036347 Energy: 0.2878641255782728 Energy: 0.2897105628062636 Energy: 0.2878641255782728 Energy: 0.29442146430277166 Energy: 0.3314438933633724 Energy: 0.29503279382221914 Energy: 0.3314438933633724 Energy: 0.3168121257618242 Energy: 0.3610546811829039 Energy: 0.29579871497690796 Energy: 0.3610546811815489 Energy: 0.2880992931250002 Energy: 0.31872825209923666 Energy: 0.3133678501808023 Energy: 0.31872825209923666 Energy: 0.2931369585987096 Energy: 0.2882808385601488 Energy: 0.28948914703645245 Energy: 0.2882808385601488 Energy: 0.28771447538551365 Energy: 0.2926706970448642 Energy: 0.2946260067244539 Energy: 0.2926706970448642 Energy: 0.28771382414678626 Energy: 0.3303713977801124 Energy: 0.2959016531249717 Energy: 0.3303713977801124 Energy: 0.2880256631714449 Energy: 0.28832682684183414 Energy: 0.2981366837694528 Energy: 0.28832682684183414 Energy: 0.2893975833848555 Energy: 0.31740683217557264 Energy: 0.28940699668197456 Energy: 0.31740683217421756 Energy: 0.3154223477648532 Energy: 0.28833725892001766 Energy: 0.28800434839731437 Energy: 0.2883372589186627 minimum gb energy = 0.2875489900183881 eV minimum distance = 2.56211499612959 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.29506287136180737 Energy: 0.28513827348194076 Energy: 0.4240697469815031 Energy: 0.28513827348080484 Energy: 0.31303786284111496 Energy: 0.289097635297863 Energy: 0.2892436341692728 Energy: 0.2890976352995668 Energy: 0.285229758156616 Energy: 0.2849775665981656 Energy: 0.3628322769105696 Energy: 0.2849775665958938 Energy: 0.29049648797802025 Energy: 0.2893592608982745 Energy: 0.2868790083418207 Energy: 0.2893592608942989 Energy: 0.290359365195152 Energy: 0.3098710463538573 Energy: 0.3099967697022343 Energy: 0.3098710463521535 Energy: 0.29081445028333397 Energy: 0.2909941540903474 Energy: 0.29224907019344126 Energy: 0.29099415408353213 Energy: 0.29249800740667226 Energy: 0.3056517927951707 Energy: 0.35651897993535575 Energy: 0.3056517927974424 Energy: 0.2895057785204654 Energy: 0.28913959501558095 Energy: 0.2922052965920938 Energy: 0.2891395950172847 Energy: 0.29025638231269074 Energy: 0.3056629431850163 Energy: 0.34777993063896734 Energy: 0.3056629431878561 Energy: 0.36585547565110477 Energy: 0.3116031521303031 Energy: 0.28700925491634893 Energy: 0.31160315213143897 Energy: 0.2906146628064457 Energy: 0.31221781184369635 Energy: 0.3043059984124098 Energy: 0.3122178118414246 Energy: 0.3028991790135633 Energy: 0.3114076390211545 Energy: 0.2862960042019741 Energy: 0.3114076390239942 Energy: 0.3004036678502256 Energy: 0.28966387588194054 Energy: 0.30464898654245 Energy: 0.28966387588818804 Energy: 0.4050896157469362 Energy: 0.31174973159528724 Energy: 0.2865212934598475 Energy: 0.31174973159471925 Energy: 0.2905046200762978 Energy: 0.28434380942730336 Energy: 0.29312627705965044 Energy: 0.28434380942048804 Energy: 0.30668525980710853 Energy: 0.3119074907958307 Energy: 0.28873831580735615 Energy: 0.3119074907912871 Energy: 0.30060421955306454 Energy: 0.3074071191750457 Energy: 0.2892074255897455 Energy: 0.30740711917447777 Energy: 0.29840750414502604 Energy: 0.3045336939601008 Energy: 0.29810561284317477 Energy: 0.304533693957829 Energy: 0.3002604778962592 Energy: 0.2915191756678695 Energy: 0.2981420853550681 Energy: 0.29151917566843744 Energy: 0.3002914448800958 Energy: 0.29154231677272974 Energy: 0.2982226265857006 Energy: 0.2915423167681862 Energy: 0.29834609589453404 Energy: 0.30435922304498597 Energy: 0.2980926702907663 Energy: 0.3043592230506654 Energy: 0.30038530277997816 Energy: 0.30730427835404794 Energy: 0.28974033008242445 Energy: 0.30730427835064034 Energy: 0.30667479295846795 Energy: 0.3119158953622583 Energy: 0.28915052473407143 Energy: 0.31191589535885056 Energy: 0.2905183049816396 Energy: 0.28433812057454083 Energy: 0.29605278096954246 Energy: 0.28433812057624464 Energy: 0.4047424743635576 Energy: 0.3114465470130657 Energy: 0.2866466927919876 Energy: 0.3114465470107939 Energy: 0.3004905491447733 Energy: 0.2896725569074599 Energy: 0.30940459990087765 Energy: 0.28967255690859584 Energy: 0.303012471046105 Energy: 0.3113881828075586 Energy: 0.286285205423934 Energy: 0.3113881828081266 Energy: 0.29038188799108966 Energy: 0.31219637294274877 Energy: 0.30887441761909046 Energy: 0.3121963729472923 Energy: 0.3657659930418728 Energy: 0.3116359804516516 Energy: 0.28701502127435224 Energy: 0.31163598045733104 Energy: 0.2901490328729044 Energy: 0.3056302594127256 Energy: 0.40854993519014743 Energy: 0.30563025941670124 Energy: 0.29615529468933516 Energy: 0.2890769037323372 Energy: 0.29221240008337906 Energy: 0.28907690373517697 Energy: 0.28495384775963833 Energy: 0.305471747085043 Energy: 0.4122853949375248 Energy: 0.305471747085043 Energy: 0.29045658173737104 Energy: 0.29103640931036834 Energy: 0.29220721647853093 Energy: 0.29103640931150426 Energy: 0.2903220277060195 Energy: 0.3098444421970387 Energy: 0.3191428672873674 Energy: 0.3098444421981746 Energy: 0.2906326839116844 Energy: 0.2893604586557964 Energy: 0.28708451242234706 Energy: 0.2893604586711309 minimum gb energy = 0.28433812057454083 eV minimum distance = 2.5955538141033 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.2631180076639075 Energy: 0.2634004354537836 Energy: 0.28565815282645957 Energy: 0.2634004354537836 Energy: 0.30288271291824187 Energy: 0.29291755275883236 Energy: 0.2658336368436821 Energy: 0.2929175527578552 Energy: 0.2639920547825569 Energy: 0.2773362289340977 Energy: 0.3633375332752276 Energy: 0.2773362289331206 Energy: 0.26525391587631353 Energy: 0.29295097142259263 Energy: 0.2659715214271397 Energy: 0.2929509714216155 Energy: 0.2652837659732904 Energy: 0.26320825854906116 Energy: 0.26553067286259435 Energy: 0.26320825854906116 Energy: 0.2710880774347261 Energy: 0.29335191765756663 Energy: 0.26276555869904766 Energy: 0.29335191765854374 Energy: 0.2684344285406943 Energy: 0.30359496283719917 Energy: 0.3579795150061713 Energy: 0.30359496283719917 Energy: 0.2623854543301747 Energy: 0.2634959994811206 Energy: 0.2643850908535354 Energy: 0.2634959994811206 Energy: 0.2651281554710383 Energy: 0.2639843731913053 Energy: 0.35777543563470887 Energy: 0.2639843731913053 Energy: 0.38359405187954265 Energy: 0.26339067033012004 Energy: 0.26287413435595575 Energy: 0.26339067033012004 Energy: 0.2703544728265357 Energy: 0.27315503693726245 Energy: 0.2651414930966005 Energy: 0.2731550369382396 Energy: 0.38251025914713416 Energy: 0.2634063853603253 Energy: 0.26599629282066306 Energy: 0.26340638536130245 Energy: 0.2616541180833557 Energy: 0.2932593189694082 Energy: 0.27108867568899553 Energy: 0.2932593189694082 Energy: 0.3579073309840799 Energy: 0.27301518658164237 Energy: 0.262530535448766 Energy: 0.2730151865806652 Energy: 0.2632815132258713 Energy: 0.27257479900878145 Energy: 0.26519108875209413 Energy: 0.27257479900878145 Energy: 0.2635205531549458 Energy: 0.2633964807842892 Energy: 0.2657399430131197 Energy: 0.2633964807842892 Energy: 0.2616794967167478 Energy: 0.2932532416922112 Energy: 0.27102221644161256 Energy: 0.2932532416922112 Energy: 0.2656243581021393 Energy: 0.2740943215553043 Energy: 0.26192713244235105 Energy: 0.27409432155432717 Energy: 0.26661355271972953 Energy: 0.26367317605720814 Energy: 0.26191173185580097 Energy: 0.26367317605720814 Energy: 0.26192557195224986 Energy: 0.26345183622213253 Energy: 0.26181549084386574 Energy: 0.2634518362211554 minimum gb energy = 0.2616541180833557 eV minimum distance = 2.57963558580727 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.25077542491697413 Energy: 0.24467585480938786 Energy: 0.2789486133879471 Energy: 0.24467585481015083 Energy: 0.34077213340822426 Energy: 0.24659580086544658 Energy: 0.24554176908649034 Energy: 0.24659580086544658 Energy: 0.2421873420885752 Energy: 0.24250579232055036 Energy: 0.3174961292006603 Energy: 0.24250579232055036 Energy: 0.2784977796918314 Energy: 0.2466279449778945 Energy: 0.24556136449472452 Energy: 0.2466279449778945 Energy: 0.2450617955380972 Energy: 0.24660074563098733 Energy: 0.3590220875068819 Energy: 0.24660074563098733 Energy: 0.24829440818289916 Energy: 0.24684532764261283 Energy: 0.24576009678902905 Energy: 0.24684532764337583 Energy: 0.24590437437290263 Energy: 0.24299201932923578 Energy: 0.27895881644234677 Energy: 0.24299201932770975 Energy: 0.31608376789091286 Energy: 0.25188575870438085 Energy: 0.24289858751238427 Energy: 0.25188575870438085 Energy: 0.24499254289748626 Energy: 0.24629368378817287 Energy: 0.3396714789936558 Energy: 0.24629368378740987 Energy: 0.24533095890885884 Energy: 0.24455485493980136 Energy: 0.25156004276708155 Energy: 0.24455485493903836 Energy: 0.24587895594300288 Energy: 0.24330139923966154 Energy: 0.3988654031096813 Energy: 0.24330139923889849 Energy: 0.32846485336726694 Energy: 0.2782536476504979 Energy: 0.24292678380596808 Energy: 0.2782536476520239 Energy: 0.24508157536673686 Energy: 0.24655066631041833 Energy: 0.3228903302457042 Energy: 0.2465506663111814 Energy: 0.3460249450519706 Energy: 0.26725706184490355 Energy: 0.24567533501106945 Energy: 0.2672570618456665 Energy: 0.24595774797681833 Energy: 0.2434131553764308 Energy: 0.2477725070569977 Energy: 0.2434131553764308 Energy: 0.2788040034284451 Energy: 0.2781698513079692 Energy: 0.24542044020499842 Energy: 0.2781698513079692 Energy: 0.24514254294124363 Energy: 0.2518164817483188 Energy: 0.2518240920156271 Energy: 0.2518164817475557 Energy: 0.32555889113806724 Energy: 0.24706662619397693 Energy: 0.24561942741097798 Energy: 0.24706662619397693 Energy: 0.25373611565416243 Energy: 0.24229370644075937 Energy: 0.24739910494164521 Energy: 0.24229370644152237 Energy: 0.4000618091117476 Energy: 0.2748954951305602 Energy: 0.2454256529086076 Energy: 0.2748954951313232 Energy: 0.24510709021868096 Energy: 0.2522150007149082 Energy: 0.25961490365623224 Energy: 0.2522150007156712 Energy: 0.24463041537103764 Energy: 0.24672345437962412 Energy: 0.24558545946836327 Energy: 0.2467234543803871 Energy: 0.24624120378441378 Energy: 0.2436392578693983 Energy: 0.346077327396467 Energy: 0.2436392578693983 Energy: 0.24753101304943753 Energy: 0.27488478528944565 Energy: 0.24523859416110827 Energy: 0.27488478528944565 Energy: 0.24447625033815945 Energy: 0.2749127316004588 Energy: 0.3427899383888232 Energy: 0.2749127316012218 Energy: 0.24477239333753928 Energy: 0.25189566243713163 Energy: 0.2461042345322366 Energy: 0.25189566243636863 minimum gb energy = 0.2421873420885752 eV minimum distance = 2.5935975132623 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.368917158044222 Energy: 0.2347704256694197 Energy: 0.37524251179661194 Energy: 0.2347704256687941 Energy: 0.36710766339138207 Energy: 0.2311106000316057 Energy: 0.23005862866871224 Energy: 0.23111060003098016 Energy: 0.2312946190674614 Energy: 0.23021151887456112 Energy: 0.23988120408278277 Energy: 0.23021151887331004 Energy: 0.31328466247166786 Energy: 0.22945786287606176 Energy: 0.22978386171437964 Energy: 0.22945786287481063 Energy: 0.22777049089809423 Energy: 0.23696444644632964 Energy: 0.3523715999094027 Energy: 0.2369644464457041 Energy: 0.2597382134903322 Energy: 0.22964416949071664 Energy: 0.23036867107536416 Energy: 0.22964416948946556 Energy: 0.22976767978794455 Energy: 0.22958573764792706 Energy: 0.25993156670636997 Energy: 0.22958573764855258 Energy: 0.2314254763631694 Energy: 0.23392280400591606 Energy: 0.22835235919529903 Energy: 0.23392280400591606 Energy: 0.23091273085507355 Energy: 0.28643758735859826 Energy: 0.34369301348606235 Energy: 0.28643758735859826 Energy: 0.2379830454418639 Energy: 0.2299009610332833 Energy: 0.23171239024479667 Energy: 0.22990096103203222 Energy: 0.22959002859185063 Energy: 0.2308601500618138 Energy: 0.3682212059300977 Energy: 0.2308601500618138 Energy: 0.23064950152544794 Energy: 0.23432796043948392 Energy: 0.36934237232109846 Energy: 0.23432796044010948 Energy: 0.23077437821470853 Energy: 0.2860625821399857 Energy: 0.3979831750670071 Energy: 0.28606258213936014 Energy: 0.2961550074995444 Energy: 0.2424650818551543 Energy: 0.23171560765594829 Energy: 0.24246508185640536 Energy: 0.22959001098941484 Energy: 0.22951335228763703 Energy: 0.3651892574951483 Energy: 0.22951335228638592 Energy: 0.3153644508343264 Energy: 0.23358354824489416 Energy: 0.22841196313078463 Energy: 0.23358354824364308 Energy: 0.23091401792569435 Energy: 0.28455373526431904 Energy: 0.33248985586304347 Energy: 0.28455373526431904 Energy: 0.3141074535528802 Energy: 0.35362047017544906 Energy: 0.2300740958213076 Energy: 0.35362047017544906 Energy: 0.22975221533211707 Energy: 0.23340101985083453 Energy: 0.2326940470822493 Energy: 0.23340101984958347 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0.23095205902330115 Energy: 0.3221859264558808 Energy: 0.3142023556133938 Energy: 0.32218592645462973 Energy: 0.23264567115343104 Energy: 0.2941968348514336 Energy: 0.23133884099604185 Energy: 0.2941968348526846 Energy: 0.22919859445059548 Energy: 0.2839935026269964 Energy: 0.3065116845909299 Energy: 0.283993502628873 Energy: 0.23053925377366408 Energy: 0.3200491501258931 Energy: 0.23489059135627416 Energy: 0.32004915012714413 minimum gb energy = 0.22777049089809423 eV minimum distance = 2.6287261650017 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.3704556438322327 Energy: 0.30694997041604705 Energy: 0.3517242556562036 Energy: 0.3069499704208163 Energy: 0.41599906963127325 Energy: 0.26964535278498647 Energy: 0.21937091517324653 Energy: 0.26964535278233687 Energy: 0.25347861989256865 Energy: 0.2257620217801352 Energy: 0.28702251368197607 Energy: 0.22576202178172497 Energy: 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0.2200294448214136 Energy: 0.310139341098262 Energy: 0.4171437748829063 Energy: 0.3101393410993219 Energy: 0.21900479634051975 Energy: 0.304245340142947 Energy: 0.3371239280320206 Energy: 0.3042453401381777 Energy: 0.21891527191219803 Energy: 0.26907702363479624 Energy: 0.39144614842617653 Energy: 0.269077023636386 Energy: 0.2711639572659938 Energy: 0.22711950098228084 Energy: 0.2537070952758109 Energy: 0.22711950097751152 Energy: 0.220013193121133 Energy: 0.2910912464703705 Energy: 0.41292942745530814 Energy: 0.29109124647355 Energy: 0.2921413523172993 Energy: 0.3075549123882377 Energy: 0.24802029698583994 Energy: 0.307554912386118 Energy: 0.21942259094269329 Energy: 0.2670326452069631 Energy: 0.3607809098409727 Energy: 0.2670326452085529 Energy: 0.31947021975184636 Energy: 0.2678392862383498 Energy: 0.22086620957067762 Energy: 0.2678392862425892 Energy: 0.22211776681049175 Energy: 0.2722866779315386 Energy: 0.3047320278672488 Energy: 0.2722866779315386 Energy: 0.3148292563655879 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0.3018251313893419 Energy: 0.29204896443984335 Energy: 0.3018251313893419 Energy: 0.36147427574020197 Energy: 0.2678754191711936 Energy: 0.22043740263658462 Energy: 0.26787541916960383 Energy: 0.22197689317149047 Energy: 0.3072967856905501 Energy: 0.3275432981387614 Energy: 0.30729678568154145 Energy: 0.24714730185818104 Energy: 0.2739100772112978 Energy: 0.22337555835199743 Energy: 0.273910077209708 Energy: 0.22020326960121778 Energy: 0.3017002199535784 Energy: 0.3226156738849094 Energy: 0.3017002199567579 Energy: 0.2555977616487274 Energy: 0.30013922109534097 Energy: 0.25020186574286 Energy: 0.3001392210958708 Energy: 0.2200753783447535 Energy: 0.30739018826424286 Energy: 0.42568599128532914 Energy: 0.30739018825841374 minimum gb energy = 0.21888326719991646 eV minimum distance = 2.65342079004316 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.3042388952427101 Energy: 0.281758781416111 Energy: 0.21682612584205027 Energy: 0.2817587814151918 Energy: 0.39735280407584594 Energy: 0.20213065801120486 Energy: 0.19641776273733233 Energy: 0.20213065801120486 Energy: 0.2970522588786779 Energy: 0.20200740733498682 Energy: 0.20457408521203696 Energy: 0.20200740733544642 Energy: 0.3545144917777222 Energy: 0.20187342021099552 Energy: 0.19636597644327394 Energy: 0.20187342021145513 Energy: 0.20015950772070937 Energy: 0.19706346828688082 Energy: 0.19874088029514844 Energy: 0.19706346828642124 Energy: 0.3121895691078567 Energy: 0.2016434869214524 Energy: 0.19637970635733823 Energy: 0.20164348692099282 Energy: 0.19507444928503523 Energy: 0.20477172194966406 Energy: 0.22972376234638653 Energy: 0.20477172194966406 Energy: 0.27583830697980655 Energy: 0.20130264019465074 Energy: 0.1963469007611726 Energy: 0.20130264019465074 Energy: 0.19605612965563532 Energy: 0.19759512341977734 Energy: 0.2747619975840799 Energy: 0.19759512341931773 Energy: 0.23044392097768426 Energy: 0.2049715623040313 Energy: 0.1953027257988317 Energy: 0.20497156230357166 Energy: 0.19723067834452288 Energy: 0.2016715939459869 Energy: 0.3122018956869493 Energy: 0.2016715939482849 Energy: 0.1991119254969345 Energy: 0.20125436677712613 Energy: 0.20060256122976522 Energy: 0.2012543667775857 Energy: 0.1961032093992223 Energy: 0.19848198905352274 Energy: 0.3543035791670125 Energy: 0.19848198905398234 Energy: 0.20505419664012894 Energy: 0.20208605009695624 Energy: 0.297403699523156 Energy: 0.20208605009603703 Energy: 0.19711721222615042 Energy: 0.20218902456016302 Energy: 0.3977497184227099 Energy: 0.20218902456016302 Energy: 0.19902506113778107 Energy: 0.2819256020943287 Energy: 0.3045201297744453 Energy: 0.2819256020938691 Energy: 0.19612768978051437 Energy: 0.1985067706952546 Energy: 0.3977579111632482 Energy: 0.1985067706943354 Energy: 0.24800810674610332 Energy: 0.20201901368759595 Energy: 0.29740627124264296 Energy: 0.20201901368759595 Energy: 0.1971098065816235 Energy: 0.2021960086921786 Energy: 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0.19633946184474793 Energy: 0.28469945158119364 Energy: 0.29815390453098767 Energy: 0.20195260663666587 Energy: 0.2033469982412134 Energy: 0.20195260663620623 Energy: 0.43071644831752215 Energy: 0.20225863134527977 Energy: 0.19822696898255662 Energy: 0.20225863134619898 Energy: 0.30516273528422794 Energy: 0.20092616368350105 Energy: 0.19896426111600304 Energy: 0.20092616368258187 Energy: 0.38748646816346954 Energy: 0.2049498235947593 Energy: 0.19645097137083697 Energy: 0.2049498235956785 Energy: 0.29819539269728995 Energy: 0.2004698426859688 Energy: 0.20342304762352206 Energy: 0.2004698426855092 Energy: 0.38484038823123734 Energy: 0.20165273728331853 Energy: 0.1982357891874418 Energy: 0.2016527372837781 Energy: 0.2013189677855936 Energy: 0.2790945042681246 Energy: 0.2619718602101382 Energy: 0.27909450426858423 Energy: 0.2915907628497767 Energy: 0.28331864309945354 Energy: 0.1964860759216154 Energy: 0.28331864309945354 Energy: 0.19627755307750017 Energy: 0.2017327228963818 Energy: 0.2613750291197015 Energy: 0.2017327228963818 Energy: 0.2928151175490953 Energy: 0.20140165863209933 Energy: 0.1982861842682019 Energy: 0.20140165863209933 Energy: 0.1971468963070739 Energy: 0.2788916905966561 Energy: 0.25526947069668754 Energy: 0.27889169059757535 Energy: 0.19495763226822982 Energy: 0.2106587561024732 Energy: 0.19744458734283873 Energy: 0.2106587561024732 Energy: 0.1964962788423185 Energy: 0.20146013496205417 Energy: 0.35156820093248775 Energy: 0.20146013496205417 Energy: 0.19911703671787864 Energy: 0.20163567485336292 Energy: 0.20235039808529717 Energy: 0.20163567485428213 Energy: 0.19720103333494549 Energy: 0.27923648353416053 Energy: 0.34828007675593486 Energy: 0.2792364835346201 minimum gb energy = 0.19495763226822982 eV minimum distance = 2.66183499283167 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.012550349612027787 Energy: 0.013264171824644422 Energy: 0.5914215300634336 Energy: 0.01326417182499774 Energy: 0.29302572801538423 Energy: 0.13108442348075125 Energy: 0.13015687872397172 Energy: 0.13108442348039792 Energy: 0.012550349612027787 Energy: 0.013264171824644422 Energy: 0.2933286373704114 Energy: 0.01326417182499774 Energy: 0.2930257280146776 Energy: 0.13108442347971092 Energy: 0.1301568787246587 Energy: 0.13108442347971092 Energy: 0.012550349611694097 Energy: 0.013264171824644422 Energy: 0.2933286373697245 Energy: 0.01326417182499774 Energy: 0.2930257280146776 Energy: 0.13108442348039792 Energy: 0.13015687872432502 Energy: 0.13108442348075125 minimum gb energy = 0.012550349611694097 eV minimum distance = 2.84076130823943 Angstroms sigma value = 1