Model name: model_name=MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_002 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.917371571063995 cohesive_energy=5.770453839794827 mass=195.084 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17] 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: 0.018953245838623806 Energy: 0.6648517476183292 Energy: 0.02071489855539318 Energy: 0.022319313121002923 Energy: 0.6648607812861976 Energy: 0.019905440044699466 Energy: 0.6648517476193678 Energy: 0.11263185407821455 Energy: 0.11185605613123348 Energy: 0.1119058961774311 Energy: 0.1118705942802507 Energy: 0.11191207058834506 Energy: 0.02071489855488872 Energy: 0.11185605613280618 Energy: 0.11252311612725338 Energy: 0.020988773112192015 Energy: 0.11196465583649629 Energy: 0.11331957214511827 Energy: 0.022319313121269987 Energy: 0.11190589617665957 Energy: 0.020988773111924954 Energy: 0.01941757036275684 Energy: 0.11193800589349535 Energy: 0.01994689728217769 Energy: 0.6648607812867319 Energy: 0.11187059428155634 Energy: 0.11196465583703041 Energy: 0.11193800589296124 Energy: 0.11194606251193964 Energy: 0.11187913590926732 Energy: 0.019905440044699466 Energy: 0.1119120705870394 Energy: 0.11331957214618651 Energy: 0.01994689728217769 Energy: 0.11187913590796167 Energy: 0.020149831328419975 minimum gb energy = 0.018953245838623806 eV minimum distance = 2.76347135485144 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 2.1160732935365707 Energy: 1.9736016103614415 Energy: 1.4438150951602884 Energy: 2.11300193978044 Energy: 1.9751164247092554 Energy: 2.0183772176533927 Energy: 1.955015809627395 Energy: 1.2798338685269868 Energy: 1.2758713305338811 Energy: 1.4839736649439161 Energy: 1.2774364890486027 Energy: 1.3585283331936624 Energy: 1.9632757298611618 Energy: 1.3239789949574083 Energy: 1.325312964690415 Energy: 1.9647816588913345 Energy: 1.358737759011583 Energy: 1.2956462463814409 Energy: 2.037953464093764 Energy: 1.5976625803302995 Energy: 1.6130512616123953 Energy: 1.795196945461153 Energy: 1.5684672269456668 Energy: 1.6109469749886927 Energy: 1.9056183049610684 Energy: 1.3387553661404292 Energy: 1.34038877282463 Energy: 1.458053866781481 Energy: 1.3999160981179892 Energy: 1.3317162526771464 Energy: 1.7122408945742809 Energy: 1.309262318474423 Energy: 1.3095580499380086 Energy: 1.7157673157834261 Energy: 1.400732253474256 Energy: 1.313108679624137 Energy: 1.7864788849744293 Energy: 1.591436389942894 Energy: 1.4034299603496099 Energy: 1.7569492179783384 Energy: 1.79095399174649 Energy: 1.3862348747364481 Energy: 1.9086369299804076 Energy: 1.4238757603276633 Energy: 1.5008829421075753 Energy: 1.790953600732948 Energy: 1.6114531588995507 Energy: 1.493297945587235 Energy: 1.4889519141097691 Energy: 1.3245551325335134 Energy: 1.3105314670625097 Energy: 1.4220431167905638 Energy: 1.6098796463990879 Energy: 1.2806126886862705 Energy: 1.5214363495271304 Energy: 1.5218374310139802 Energy: 1.4484233126236667 Energy: 1.5242949418097451 Energy: 1.4956484809607713 Energy: 1.434643883662817 Energy: 1.7533529886175034 Energy: 1.6315808394206495 Energy: 1.6206151628727155 Energy: 1.7868540021701476 Energy: 1.6383678965293862 Energy: 1.8769414562072906 Energy: 1.315094998086381 Energy: 1.4967806920497355 Energy: 1.293140771299262 Energy: 1.3169753486162767 Energy: 1.5498952558181178 Energy: 1.294137959048944 Energy: 1.275855914214349 Energy: 1.4289283247864206 Energy: 1.2077199532860114 Energy: 1.2758437854760016 Energy: 1.4242858823324758 Energy: 1.246065196092792 Energy: 1.3440049727780805 Energy: 1.744665146965502 Energy: 1.82269248451887 Energy: 1.3436435998896696 Energy: 1.7494320300633448 Energy: 1.6270795895374932 Energy: 1.3262214202448661 Energy: 1.4050615619455094 Energy: 1.2913207238654092 Energy: 1.3279062911535287 Energy: 1.6546343201739626 Energy: 1.2916569206514155 Energy: 1.4055558949873646 Energy: 1.4353905827517286 Energy: 1.2941780988793032 Energy: 1.4072236936381446 Energy: 1.576003595015084 Energy: 1.2997618652337868 Energy: 1.8205260994527566 Energy: 1.4998946991607283 Energy: 1.5339837982185185 Energy: 1.7318329839512274 Energy: 1.7016306594228132 Energy: 1.5254946177770772 Energy: 1.588114826402222 Energy: 1.4476416563053067 Energy: 1.4427604956259357 Energy: 1.5581272516282265 Energy: 1.7035710790436478 Energy: 1.330633989604849 Energy: 1.5924906957666247 Energy: 1.278989871876268 Energy: 1.2729870537431391 Energy: 1.6125528974829295 Energy: 1.555712858622151 Energy: 1.2816673347554557 Energy: 1.8592101520770217 Energy: 1.5200832870652192 Energy: 1.4453521496090604 Energy: 1.70502438556908 Energy: 1.6133362726446445 Energy: 1.4420990330178196 Energy: 2.074845634679553 Energy: 1.7447406786062671 Energy: 1.7220062943290129 Energy: 2.0691707593619872 Energy: 1.8526254849838955 Energy: 1.6187594801024432 Energy: 1.8207090626884954 Energy: 1.3436156766991818 Energy: 1.336201309939533 Energy: 1.8235283010418515 Energy: 1.3701648024581852 Energy: 1.305757825446469 Energy: 1.9095989001959515 Energy: 1.3150301937921964 Energy: 1.316724480146392 Energy: 1.68765418474252 Energy: 1.3483107137658723 Energy: 1.3946473809111117 minimum gb energy = 1.2077199532860114 eV minimum distance = 2.48432366151264 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 2.388876993860662 Energy: 1.9394643927685982 Energy: 1.772685165167028 Energy: 2.296437144647808 Energy: 1.9413920815077446 Energy: 1.8205699083846723 Energy: 1.9879586410231358 Energy: 1.3010780325923135 Energy: 1.275615116381861 Energy: 1.8152562522222218 Energy: 1.2344642132713644 Energy: 1.4223581496855096 Energy: 1.8311667573643795 Energy: 1.284571442119329 Energy: 1.2743747802155514 Energy: 1.8297180290883956 Energy: 1.2753015852903486 Energy: 1.2634454793910472 Energy: 1.9439009572778236 Energy: 1.371637524318572 Energy: 1.4342793684848456 Energy: 1.689976290899218 Energy: 1.4350418430326717 Energy: 1.4438639728740503 Energy: 1.9379637304872648 Energy: 1.3939721519342045 Energy: 1.4071578222115808 Energy: 1.9542192325931302 Energy: 1.392146156721227 Energy: 1.4108555357053607 Energy: 1.828015809789351 Energy: 1.4995022232671742 Energy: 1.3930103468387998 Energy: 1.828575890066847 Energy: 1.495174060723801 Energy: 1.3580401737990513 Energy: 1.7901544894904595 Energy: 1.7006801409958308 Energy: 1.5142790924947713 Energy: 1.7868589409625562 Energy: 1.739526478450472 Energy: 1.5369675014298187 Energy: 1.86291179588024 Energy: 1.3872986070710163 Energy: 1.3687494007501868 Energy: 1.5990889017021566 Energy: 1.5150172804049893 Energy: 1.361343212620515 Energy: 1.4115771966030088 Energy: 1.4105968819890133 Energy: 1.362009115462861 Energy: 1.4158371620736012 Energy: 1.4748372750001502 Energy: 1.349394962680776 Energy: 1.4840255600747756 Energy: 1.525696638155998 Energy: 1.5045536047156143 Energy: 1.4852505415108128 Energy: 1.5418195103434382 Energy: 1.4378208440975382 Energy: 1.680259865013904 Energy: 1.765120181203828 Energy: 1.7648479310545044 Energy: 1.6772244099542835 Energy: 1.76546603964429 Energy: 1.772268730590594 Energy: 1.3928084804737715 Energy: 1.5363784075743758 Energy: 1.395602358040008 Energy: 1.2829229094188046 Energy: 1.9682854359951103 Energy: 1.3614384290954953 Energy: 1.29315838049443 Energy: 1.3858948694980322 Energy: 1.3856019587156883 Energy: 1.2915934082193306 Energy: 1.5230933979844856 Energy: 1.311999602875314 Energy: 1.6386769499373486 Energy: 1.6097727784709788 Energy: 1.6019296798089306 Energy: 1.5532357293845447 Energy: 1.6883593100995475 Energy: 1.4398504263415928 Energy: 1.4644063607321967 Energy: 1.3940118219374622 Energy: 1.4043923412814001 Energy: 1.4549954408810717 Energy: 1.7925676506822 Energy: 1.4070428368773074 Energy: 1.531027179047226 Energy: 1.575810073715533 Energy: 1.4284678868822436 Energy: 1.509395704921468 Energy: 1.7706058573640375 Energy: 1.3779811851891697 Energy: 1.8541807224646984 Energy: 1.5425309656869604 Energy: 1.5524616080356664 Energy: 1.8432892989605143 Energy: 1.559393620524774 Energy: 1.5014373253375637 Energy: 1.5145306587404967 Energy: 1.5881977856928897 Energy: 1.5858996286359217 Energy: 1.5149391648087112 Energy: 1.5835601650729423 Energy: 1.369804623791103 Energy: 1.6468831113156213 Energy: 1.3526519919363102 Energy: 1.3324859834828104 Energy: 1.6504501302901422 Energy: 1.4828233646081592 Energy: 1.351900896186975 Energy: 1.9940652696787213 Energy: 1.4169002568016695 Energy: 1.4448124424199023 Energy: 1.755190727007971 Energy: 1.4876331160191616 Energy: 1.452532603401253 Energy: 2.3134322255089605 Energy: 1.67837772163612 Energy: 1.6615161246520487 Energy: 2.3066510168753864 Energy: 1.6784756227308464 Energy: 1.7654545171317355 Energy: 1.9655715353253997 Energy: 1.28121755383955 Energy: 1.314301811704157 Energy: 1.9677296953856533 Energy: 1.388098742908241 Energy: 1.3958260237735876 Energy: 1.9981690799886531 Energy: 1.2904846827547638 Energy: 1.3081475538061913 Energy: 1.7864714209638919 Energy: 1.2936372320263363 Energy: 1.278658190004241 Energy: 1.939973678520546 Energy: 1.6017734067981306 Energy: 1.6016663394068218 Energy: 1.9359922126109144 Energy: 1.5786178147565688 Energy: 1.6538331843512062 Energy: 1.9898098352246243 Energy: 1.3959730155326433 Energy: 1.39333817703633 Energy: 1.924018490285919 Energy: 1.404922711836415 Energy: 1.3953347160524567 Energy: 1.8308252528802924 Energy: 1.3566337940052227 Energy: 1.3710365095460577 Energy: 1.8261872398560668 Energy: 1.4538224054132323 Energy: 1.370324531262407 Energy: 1.7507238366661348 Energy: 1.725020104204363 Energy: 1.5031123126852388 Energy: 1.746562753534982 Energy: 1.7957451284734238 Energy: 1.6313290195803387 Energy: 1.852381311050957 Energy: 1.3737321613181284 Energy: 1.462649558601662 Energy: 1.6344611557622168 Energy: 1.5167296573025908 Energy: 1.4735481867633793 Energy: 1.4817553681826499 Energy: 1.359060137671527 Energy: 1.4172044888062634 Energy: 1.477690365813112 Energy: 1.5845332279529327 Energy: 1.3844998471796532 Energy: 1.4092424490322417 Energy: 1.5455352222250198 Energy: 1.5591243054132893 Energy: 1.4095022194243865 Energy: 1.532627143748313 Energy: 1.3649487301954257 Energy: 1.6788100599984483 Energy: 1.6752524461888756 Energy: 1.6834670715714337 Energy: 1.6783456620626935 Energy: 1.507452830930115 Energy: 1.5487557884265302 Energy: 1.3972263851746982 Energy: 1.533825148248732 Energy: 1.3678794949009423 Energy: 1.3880305192846392 Energy: 1.9707088901467529 Energy: 1.3959074073729698 Energy: 1.29026362992155 Energy: 1.4038749657090055 Energy: 1.3816592162310648 Energy: 1.2906714572075153 Energy: 1.5470406056449706 Energy: 1.3135175492923636 Energy: 1.287330756529159 Energy: 1.608334659530803 Energy: 1.60045049270889 Energy: 1.2865326105238535 Energy: 1.6877262027845725 Energy: 1.4270379256554322 Energy: 1.4633416443508225 Energy: 1.4028833221853307 Energy: 1.4070035883363334 Energy: 1.4482182894257236 Energy: 1.548221853518475 Energy: 1.396018444392728 Energy: 1.5099232512843284 Energy: 1.584297624756002 Energy: 1.3653712114791108 Energy: 1.5018780846494935 Energy: 1.7794294966712894 Energy: 1.3647259988487475 Energy: 1.8493039419998272 Energy: 1.638619405409033 Energy: 1.6291799815278034 Energy: 1.8317247173863276 Energy: 1.627883712994987 Energy: 1.633443900585101 Energy: 1.6342897987838567 Energy: 1.5952513180444423 Energy: 1.5401288441608703 Energy: 1.6309206101565636 Energy: 1.5621113093530348 Energy: 1.5643074479487147 Energy: 1.5866491473586124 Energy: 1.3353160494120448 Energy: 1.3148995952342935 Energy: 1.5870532073065955 Energy: 1.3314462737112789 Energy: 1.4345705953746983 Energy: 2.0072483109910513 Energy: 1.3422858183627373 Energy: 1.3316424110980125 Energy: 1.5212406600919042 Energy: 1.3936948318694165 Energy: 1.4862999028021786 Energy: 1.9740521164587808 Energy: 1.5093427992269242 Energy: 1.4233299526563727 Energy: 1.8859468747516812 Energy: 1.4852612449188554 Energy: 1.3657215813912322 minimum gb energy = 1.2344642132713644 eV minimum distance = 2.48243196482506 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 2.1298116555409132 Energy: 1.3982108161586495 Energy: 2.073730935478616 Energy: 2.1240165324153018 Energy: 1.4518222497024666 Energy: 1.76193017407257 Energy: 1.945496500635385 Energy: 1.259445495755293 Energy: 1.2596856682356858 Energy: 1.8480440963762543 Energy: 1.2586980829232777 Energy: 1.3815389765772623 Energy: 1.8800361281392357 Energy: 1.2531806250052349 Energy: 1.2528135594720775 Energy: 1.8566142478296825 Energy: 1.2533686641373347 Energy: 1.1951038797337084 Energy: 1.8804883257525418 Energy: 1.7080735801748954 Energy: 1.5556529132043053 Energy: 1.7560612938969873 Energy: 1.6401001250996374 Energy: 1.5942148536423095 Energy: 1.8787857144677946 Energy: 1.4627947300994864 Energy: 1.4688852134909451 Energy: 1.8784700385912714 Energy: 1.5541035754209003 Energy: 1.470973369630723 Energy: 1.6113658481113513 Energy: 1.475239370233406 Energy: 1.416320887127773 Energy: 1.613816222685732 Energy: 1.562294476309364 Energy: 1.3310825288820558 Energy: 1.6194568827136582 Energy: 1.5956251432852866 Energy: 1.4383177454471276 Energy: 1.6219407367279528 Energy: 1.5889556502082687 Energy: 1.4967222198921104 Energy: 1.799623753105976 Energy: 1.7144584724807503 Energy: 1.6599408651809116 Energy: 1.799747559484221 Energy: 1.7953314452638147 Energy: 1.6469141919812291 Energy: 1.3111756199279225 Energy: 1.6903928983345375 Energy: 1.5405823541315153 Energy: 1.3120588041438461 Energy: 1.7784310786468756 Energy: 1.2534595951543674 Energy: 1.2594405908677326 Energy: 1.4664982945760618 Energy: 1.322883533880369 Energy: 1.2598557457319108 Energy: 1.6534909180530575 Energy: 1.261162292726603 Energy: 1.2607140130263532 Energy: 1.8993446048463234 Energy: 1.88912668566362 Energy: 1.2603122603930392 Energy: 1.8904365510266834 Energy: 1.9069534168505593 Energy: 1.3660672045749631 Energy: 1.4522434115392533 Energy: 1.3385823473200198 Energy: 1.3657764823870204 Energy: 1.6059180646254232 Energy: 1.3384223137257336 Energy: 1.3640271919315656 Energy: 1.47945031870464 Energy: 1.2208641093966635 Energy: 1.3662023354881936 Energy: 1.719939842698357 Energy: 1.2804280211851549 Energy: 1.8128355164530223 Energy: 1.5773733051683951 Energy: 1.578223419942412 Energy: 1.4546050484983841 Energy: 1.630362415806327 Energy: 1.571880334699971 Energy: 1.7807797744069376 Energy: 1.6779454111327698 Energy: 1.6135945713745883 Energy: 1.718899556345 Energy: 1.7242884932316214 Energy: 1.6156042438327367 Energy: 1.67251858101407 Energy: 1.405005423024873 Energy: 1.3189879635765887 Energy: 1.6716403905714512 Energy: 1.4930955587082575 Energy: 1.4223766968219536 Energy: 1.9092556338294593 Energy: 1.3131317212536855 Energy: 1.2862234608288985 Energy: 1.8097049067296453 Energy: 1.3455448735785243 Energy: 1.3761297157605994 Energy: 2.0110651786205884 Energy: 1.4699757724675002 Energy: 1.383320853595312 Energy: 2.0115121503205255 Energy: 1.4691235466771235 Energy: 1.2803455391747804 minimum gb energy = 1.1951038797337084 eV minimum distance = 2.51089379446813 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 1.838901384427011 Energy: 1.8839405282350439 Energy: 1.4539799440986159 Energy: 1.7393220328610617 Energy: 1.8833852287453827 Energy: 1.5335419903608751 Energy: 1.8725068310735782 Energy: 1.1943983390059578 Energy: 1.183317434232874 Energy: 1.721538597391914 Energy: 1.1995372709106122 Energy: 1.3922991272768357 Energy: 1.880700416760525 Energy: 1.2600965583208656 Energy: 1.2561800065767799 Energy: 1.7560445090335843 Energy: 1.2558720506649739 Energy: 1.4034377432484466 Energy: 1.4805549707217232 Energy: 1.5155836484631031 Energy: 1.5531918826933278 Energy: 1.4754034663522466 Energy: 1.5180030332623518 Energy: 1.4912856418288356 Energy: 1.9385916140681818 Energy: 1.4227359703386382 Energy: 1.4351822701309125 Energy: 1.7417895014164257 Energy: 1.4351771515581109 Energy: 1.4265675203150037 Energy: 1.5200149307214381 Energy: 1.233531091368802 Energy: 1.4427105487019198 Energy: 1.5302605078949434 Energy: 1.2342744440101425 Energy: 1.526076657715205 Energy: 1.5458383404245628 Energy: 1.7884302370674798 Energy: 1.5649537020937132 Energy: 1.5558498659303863 Energy: 1.805889933448784 Energy: 1.5577400339179044 Energy: 1.698204233327635 Energy: 1.454712042568989 Energy: 1.4544118379569804 Energy: 1.7016156859250595 Energy: 1.742204083070436 Energy: 1.4008170126851556 Energy: 1.3018169923916239 Energy: 1.4879742417995825 Energy: 1.4843063096892903 Energy: 1.3018325416646208 Energy: 1.752251950028627 Energy: 1.3260119274924467 Energy: 1.277331891656373 Energy: 1.4411250673364966 Energy: 1.4527023371335717 Energy: 1.2765232686709422 Energy: 1.7539779492338399 Energy: 1.379387596521102 Energy: 1.2590599029588638 Energy: 1.4813425602170844 Energy: 1.3651627647469948 Energy: 1.2587909168080678 Energy: 1.4769888105106506 Energy: 1.5346921217477856 Energy: 1.6744353172285147 Energy: 1.4317614804783814 Energy: 1.4303805946405612 Energy: 1.516780912234282 Energy: 1.7372256385179632 Energy: 1.427773183486887 Energy: 1.1579700954649392 Energy: 1.561109051778642 Energy: 1.4067600341858535 Energy: 1.160239902703284 Energy: 1.610656364069431 Energy: 1.404876568533729 Energy: 1.8980535736258135 Energy: 1.4161949951436725 Energy: 1.4457387340556522 Energy: 1.773817055232638 Energy: 1.5518072522476658 Energy: 1.5721321283454164 Energy: 1.7437278043620998 Energy: 1.6998555247632219 Energy: 1.540908624981576 Energy: 1.7478284056632154 Energy: 1.6994010857469823 Energy: 1.3726270618215202 Energy: 1.7410136138896584 Energy: 1.3931884036623858 Energy: 1.3661606831279818 Energy: 1.7413562572704344 Energy: 1.390314052595481 Energy: 1.4543132130085368 Energy: 1.8666393343709127 Energy: 1.2526914534994316 Energy: 1.2912764571060278 Energy: 1.726410185484896 Energy: 1.2765416526113613 Energy: 1.4151249147199971 Energy: 1.7037994831512444 Energy: 1.2815311543732912 Energy: 1.3706989622068295 Energy: 1.7053956783512463 Energy: 1.2586222278956378 Energy: 1.4238247875011962 Energy: 1.5571342861950301 Energy: 1.4325035986111614 Energy: 1.432727913979385 Energy: 1.5334919672095477 Energy: 1.4448570439343178 Energy: 1.4344762523854986 Energy: 1.6333835105105212 Energy: 1.1581708407434237 Energy: 1.396340757285194 Energy: 1.6358213938839608 Energy: 1.1579885742236526 Energy: 1.3941590016393306 Energy: 1.5488488179175146 Energy: 1.4467732087474239 Energy: 1.456796576571807 Energy: 1.550367170734029 Energy: 1.450391478910149 Energy: 1.4503556565063347 Energy: 1.5542790636159374 Energy: 1.5690787223821154 Energy: 1.5714981983864693 Energy: 1.555685996137085 Energy: 1.7337689475909601 Energy: 1.5697818086240138 Energy: 1.6232579147789357 Energy: 1.453858969665288 Energy: 1.4539608201207563 Energy: 1.4362454797764208 Energy: 1.7404817386251898 Energy: 1.4541956684327624 Energy: 1.2929955482514588 Energy: 1.5761710210408868 Energy: 1.3814544110284133 Energy: 1.2572975576773906 Energy: 1.7631744616188165 Energy: 1.3914495435570582 Energy: 1.2692159791260362 Energy: 1.4272603768105512 Energy: 1.411369686868624 Energy: 1.2762978330356725 Energy: 1.4405091324253534 Energy: 1.3099298007396492 Energy: 1.4735954519899441 Energy: 1.4765761171027152 Energy: 1.4515211421524952 Energy: 1.4795603416335557 Energy: 1.4779871367918704 Energy: 1.5385770118624529 Energy: 1.5687240682802097 Energy: 1.4243778636837834 Energy: 1.4355374141001933 Energy: 1.4379057897620116 Energy: 1.7446156100455064 Energy: 1.4340606318457103 Energy: 1.2339609490220398 Energy: 1.4469281538827838 Energy: 1.3941728039286063 Energy: 1.235505797868573 Energy: 1.3955067279354731 Energy: 1.4682813546556035 Energy: 1.8932289677363539 Energy: 1.4081471454847903 Energy: 1.362648352926012 Energy: 1.7452978171068791 Energy: 1.5306191185678706 Energy: 1.5660117395257693 Energy: 1.8396973845900788 Energy: 1.4305471400513947 Energy: 1.4009918918968118 Energy: 1.741521915095079 Energy: 1.6127284318886232 Energy: 1.5308813197263693 minimum gb energy = 1.1579700954649392 eV minimum distance = 2.48409386256356 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 1.4752729649338254 Energy: 1.9198580309309508 Energy: 1.7964609245391392 Energy: 1.4769820455399798 Energy: 1.918752817530868 Energy: 1.793910777940851 Energy: 1.9813167914156333 Energy: 1.2675747977307006 Energy: 1.3591312417221686 Energy: 1.7649975276955854 Energy: 1.2690409531085576 Energy: 1.3593337764443065 Energy: 1.9390110303534103 Energy: 1.169199873782033 Energy: 1.1673020181066485 Energy: 1.4462726960519348 Energy: 1.1725992636450235 Energy: 1.1674876732865969 Energy: 2.0134800032052853 Energy: 1.5689961015867615 Energy: 1.6163238865510041 Energy: 1.4471646633271744 Energy: 1.2112737328135579 Energy: 1.4036201253302134 Energy: 1.5532039096014234 Energy: 1.4325155462242964 Energy: 1.3945079731263264 Energy: 1.3294043191457163 Energy: 1.6142811575463696 Energy: 1.4009422409841414 Energy: 1.2074459640392734 Energy: 1.3391396056423863 Energy: 1.3381239230397293 Energy: 1.2073333238654507 Energy: 1.4873436683003585 Energy: 1.439286784330734 Energy: 1.257786683199673 Energy: 1.2893928163365278 Energy: 1.277014430939273 Energy: 1.2591538996617933 Energy: 1.3242883013832643 Energy: 1.3045649962363979 Energy: 1.2914522667329735 Energy: 1.5685511682451687 Energy: 1.5724284382942701 Energy: 1.2913457899429404 Energy: 1.652283498330168 Energy: 1.5894416222865024 Energy: 1.5349356882900458 Energy: 1.4491496153663743 Energy: 1.5283199448337172 Energy: 1.2935810290353988 Energy: 1.5490801451644394 Energy: 1.2927625219085777 Energy: 1.367067534411162 Energy: 1.324071368321169 Energy: 1.2992836270368882 Energy: 1.2799063135462454 Energy: 1.313867002214095 Energy: 1.2327372361427464 Energy: 1.4946377012084102 Energy: 1.2311486766287392 Energy: 1.2341150861081578 Energy: 1.4081645436575856 Energy: 1.3008609768009678 Energy: 1.230939109149261 Energy: 1.9249438728656516 Energy: 1.2712144336997313 Energy: 1.462591618741744 Energy: 1.7688924397917516 Energy: 1.5274716352470072 Energy: 1.5170371393891495 minimum gb energy = 1.1673020181066485 eV minimum distance = 2.52979303485883 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 2.2387777249249927 Energy: 2.0530713831950163 Energy: 1.4744738854422574 Energy: 2.2114982867656816 Energy: 2.2450026734950668 Energy: 1.6826922692195552 Energy: 1.5099343745076612 Energy: 1.1529020859131398 Energy: 1.2424439655640815 Energy: 1.3879301866268368 Energy: 1.154219245605113 Energy: 1.1351618455891492 Energy: 1.5182757885014133 Energy: 1.0377494936898943 Energy: 1.0301373401408602 Energy: 1.2743223104499093 Energy: 1.0345280850940963 Energy: 1.168448719440106 Energy: 1.4575087176349022 Energy: 1.2210795353360873 Energy: 1.2599986179012344 Energy: 1.4610841886520338 Energy: 1.2351163921874575 Energy: 1.2549020164357811 Energy: 1.6118496154178608 Energy: 1.3876818242252564 Energy: 1.3753653873690332 Energy: 1.423340077875334 Energy: 1.4072926094053058 Energy: 1.374021739701224 Energy: 1.1782888358029084 Energy: 1.3980620350990451 Energy: 1.5380111007621997 Energy: 1.178221149437417 Energy: 1.3926189151726485 Energy: 1.4030344641016974 Energy: 1.1810868776878167 Energy: 1.3350327216761073 Energy: 1.2505174254519815 Energy: 1.1837511339552762 Energy: 1.5764477624711888 Energy: 1.2525759164224366 Energy: 1.1418481917218317 Energy: 1.2676495971148083 Energy: 1.432803129151069 Energy: 1.142732781335532 Energy: 1.3066032805873569 Energy: 1.2864694531007135 Energy: 1.627929375031089 Energy: 1.3318355017692043 Energy: 1.3278794620083925 Energy: 1.5821286561225087 Energy: 1.3449649167360929 Energy: 1.3187091614412259 Energy: 1.70255040958019 Energy: 1.2383014755772186 Energy: 1.3240632870068227 Energy: 1.7044536045535037 Energy: 1.4246611179480109 Energy: 1.4012215138162538 Energy: 1.717609246788087 Energy: 1.096460635843862 Energy: 1.0962678202303426 Energy: 1.468104608316003 Energy: 1.1008753032955692 Energy: 1.145549045365068 Energy: 1.6938845436986651 Energy: 1.1354945010458797 Energy: 1.145575603016479 Energy: 1.3831351920896993 Energy: 1.1357630549480915 Energy: 1.1612208285582923 Energy: 1.9693358493196098 Energy: 1.3835971270856111 Energy: 1.3744082492241787 Energy: 1.9584572890151282 Energy: 1.783033895529531 Energy: 1.5365658760249987 Energy: 1.5886536642153966 Energy: 1.3350882350302813 Energy: 1.3308219559128405 Energy: 1.3400018404572753 Energy: 1.551558338157247 Energy: 1.314863361931425 Energy: 1.2530258662090132 Energy: 1.1304393284457406 Energy: 1.1360365066264668 Energy: 1.2545063265026986 Energy: 1.2102277620654 Energy: 1.3074150863085623 Energy: 1.0992395203047596 Energy: 1.235134950790094 Energy: 1.1531613538311924 Energy: 1.034214994132717 Energy: 1.132411237038593 Energy: 1.0893779371264085 Energy: 1.1527512472823316 Energy: 1.4027295921990612 Energy: 1.4024411298378467 Energy: 1.153623690394593 Energy: 1.4486465246755615 Energy: 1.3575093766650081 Energy: 1.3846009225280815 Energy: 1.542890662349388 Energy: 1.5702982787039066 Energy: 1.3848839486066777 Energy: 1.535687732895774 Energy: 1.5077648997651467 Energy: 1.3160886639553147 Energy: 1.1540696400983854 Energy: 1.2381810618100542 Energy: 1.2800692871561856 Energy: 1.2059941919579025 Energy: 1.2745825573844247 Energy: 1.1261749834574717 Energy: 1.1426558390048034 Energy: 1.2070708380568804 Energy: 1.1281759590444689 Energy: 1.1303178393403859 Energy: 1.2553596952569206 Energy: 1.3146466262360832 Energy: 1.2066004373630212 Energy: 1.2793068737273743 Energy: 1.2566882744361254 Energy: 1.2880174110694533 Energy: 1.3908973285194794 Energy: 2.2361528624628386 Energy: 1.3951743739416604 Energy: 1.3704833039752784 Energy: 1.6805539507476732 Energy: 1.3808797174446006 Energy: 1.685272636281803 Energy: 2.238189278852586 Energy: 1.152318469702949 Energy: 1.3437879979915377 Energy: 1.50594457463237 Energy: 1.1515971456245508 Energy: 1.3311656352502228 Energy: 1.5104561399690677 Energy: 1.030152814379443 Energy: 1.0364727042682746 Energy: 1.4109123802272046 Energy: 1.077943423664468 Energy: 1.1177875722565673 Energy: 1.4536023537619513 Energy: 1.2026727882431096 Energy: 1.3525695368519293 Energy: 1.458822044123183 Energy: 1.1480361213250028 Energy: 1.2910968220286534 Energy: 1.5530164916052063 Energy: 1.4547661662451405 Energy: 1.4215244874136113 Energy: 1.554384841573024 Energy: 1.5334198252032807 Energy: 1.3940708924433929 Energy: 1.395991344830011 Energy: 1.3947975497855023 Energy: 1.3889349663741117 Energy: 1.3960334092763795 Energy: 1.6987238500572188 Energy: 1.7352100772337582 Energy: 1.1478425721146759 Energy: 1.359041203938762 Energy: 1.3033406129223073 Energy: 1.1496627122776708 Energy: 1.399808396189914 Energy: 1.1458153644717124 Energy: 1.1392322303468818 Energy: 1.362445460463221 Energy: 1.3472462531054368 Energy: 1.138212844203136 Energy: 1.4012955502427435 Energy: 1.1890086230325008 Energy: 1.503616403671818 Energy: 1.268625710216946 Energy: 1.4320145235831676 Energy: 1.4358920122334506 Energy: 1.3061183252248518 Energy: 1.375182882013486 Energy: 1.7827504862661794 Energy: 1.2426252583236395 Energy: 1.3442098816402015 Energy: 1.5430319967029216 Energy: 1.4808479113627728 Energy: 1.3276246713805548 Energy: 1.6986609935802297 Energy: 1.1993468205488864 Energy: 1.2533927089227883 Energy: 1.7116115718265439 Energy: 1.1993151120549619 Energy: 1.4253474704873201 Energy: 1.7292632495170723 Energy: 1.176791368573438 Energy: 1.1770892684857714 Energy: 1.3461066844949354 Energy: 1.2170536457016876 Energy: 1.2771055696950775 Energy: 1.9689854538211122 Energy: 1.140637400283886 Energy: 1.1419891102594633 Energy: 1.9591468332154116 Energy: 1.14775751609102 Energy: 1.5601484705632538 Energy: 2.0238411736981785 Energy: 1.3413050144076955 Energy: 1.4660999074375118 Energy: 1.3675776545591734 Energy: 1.2736903390881955 Energy: 1.4685696452551433 Energy: 1.317286800465728 Energy: 1.1395136028238133 Energy: 1.1949112413521525 Energy: 1.3131297836649167 Energy: 1.2168020369524548 Energy: 1.2259460112750231 Energy: 1.0480377700993078 Energy: 1.2417860794620756 Energy: 1.2555619634466155 Energy: 1.0499138888205901 Energy: 1.211941915738275 Energy: 1.1036991224868267 Energy: 1.1610415391002036 Energy: 1.3643228816807338 Energy: 1.3390373245700011 Energy: 1.163248132062469 Energy: 1.346779377758668 Energy: 1.2997825460696868 Energy: 1.51932520387732 Energy: 1.5398653337994148 Energy: 1.5392101420030075 Energy: 1.7164395583592222 Energy: 1.9521358601522456 Energy: 1.9026561605039694 Energy: 1.348138971727466 Energy: 1.514845756565174 Energy: 1.3105853160546652 Energy: 1.3455393718465838 Energy: 1.5291412398409931 Energy: 1.3124418132817852 Energy: 1.1250967629709019 Energy: 1.1425725839397378 Energy: 1.2359666357273316 Energy: 1.12701625614728 Energy: 1.0911189927192795 Energy: 1.1805503561586799 Energy: 1.223774141207394 Energy: 1.0794266653333648 Energy: 1.0858097754952825 Energy: 1.1236195146880006 Energy: 1.1150088664637632 Energy: 1.1387569692774748 Energy: 2.216868933271303 Energy: 1.3513535916156356 Energy: 1.3591868042842141 Energy: 1.5144715215709124 Energy: 1.3657383819109006 Energy: 1.3105277030302553 minimum gb energy = 1.0301373401408602 eV minimum distance = 2.56835854133969 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.523379589619963 Energy: 1.618668443128935 Energy: 0.5347520657283725 Energy: 0.527361079771123 Energy: 1.6224099618821468 Energy: 0.5240121888296753 Energy: 0.6244959190817794 Energy: 0.7010738672253052 Energy: 0.7019563007504324 Energy: 0.5710394550915124 Energy: 0.5718405135265194 Energy: 0.7018213488763257 Energy: 0.6253362560515456 Energy: 0.716977447545358 Energy: 0.717174942674055 Energy: 0.6269858336029658 Energy: 0.5708986890889148 Energy: 0.7170962026521773 Energy: 0.6239019427609495 Energy: 0.7388730604007543 Energy: 0.7387505597601823 Energy: 0.6282497322582611 Energy: 0.6256293861140014 Energy: 0.7390329825846726 Energy: 0.6241515623386676 Energy: 0.5242634771775807 Energy: 0.5244645207558362 Energy: 0.6250409183888287 Energy: 0.5242041298939287 Energy: 0.7028647931987483 Energy: 0.5714007355115627 Energy: 0.5241825820472001 Energy: 0.5241600864098885 Energy: 0.5716644697242169 Energy: 0.5241326179574394 Energy: 0.5584851195523964 Energy: 0.5697170033759423 Energy: 0.701077752443906 Energy: 0.7008023896657789 Energy: 0.570570373678439 Energy: 0.7400270368231434 Energy: 0.7026303757881208 Energy: 0.5716692095845325 Energy: 0.7399568963228612 Energy: 0.7402129992298819 Energy: 1.2784382063604949 Energy: 0.6279767195330038 Energy: 0.7400464941381121 Energy: 0.6246727516913972 Energy: 0.7393116070058038 Energy: 0.7177225705142705 Energy: 0.6247711196548378 Energy: 0.6268436808337555 Energy: 0.7172668548800121 Energy: 0.5329594914989465 Energy: 0.7171891904012875 Energy: 0.6904725690087742 Energy: 0.5242726948815079 Energy: 0.629178065934639 Energy: 0.683607264600977 Energy: 0.5240283165542182 Energy: 0.6904774112601344 Energy: 0.6919691542570732 Energy: 0.5241081919708503 Energy: 0.5714707792475809 Energy: 0.5596029133908652 Energy: 0.6256042678915003 Energy: 0.7192673309043219 Energy: 0.7193618799650509 Energy: 0.6261462391439201 Energy: 0.5724673560409422 Energy: 0.7170916440923969 Energy: 1.7801189679260145 Energy: 1.387751672314405 Energy: 1.3892808033944815 Energy: 1.7903711540852443 Energy: 1.2368982051515625 Energy: 1.3935286958059372 Energy: 0.6249269011165897 Energy: 0.7194588521776248 Energy: 0.7187995404615871 Energy: 0.6249906883507107 Energy: 0.5716998131355061 Energy: 0.7195176192941957 Energy: 0.6254903114845892 Energy: 0.5240011441719011 Energy: 0.5240146998489604 Energy: 0.625349746285474 Energy: 0.5281126657706837 Energy: 0.6905303346860898 Energy: 0.571654666376558 Energy: 0.572355451528154 Energy: 0.7023794077682832 Energy: 0.5720815146769227 Energy: 0.5243042477781181 Energy: 0.702022015357427 Energy: 0.5717722928880997 Energy: 0.7173871762501287 Energy: 0.7171239549419347 Energy: 0.5713952155070251 Energy: 0.6266808095020499 Energy: 0.7169855061986542 Energy: 0.6253913873192585 Energy: 0.7394892531018242 Energy: 0.7393850000288427 Energy: 0.6256009864732037 Energy: 0.6279693539569563 Energy: 0.739392564260672 Energy: 0.5241671265951399 Energy: 0.7404293725900508 Energy: 0.701505644566433 Energy: 0.5242346077203938 Energy: 0.6248779111648568 Energy: 0.7029622026418714 minimum gb energy = 0.523379589619963 eV minimum distance = 2.62353946793421 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 1.7781257992967918 Energy: 2.000582907975343 Energy: 1.5236873258631352 Energy: 1.781460731121591 Energy: 2.1010590185451234 Energy: 1.6382870402672098 Energy: 1.0659961013726322 Energy: 0.9475850660766816 Energy: 0.973668365022964 Energy: 1.0101245662766312 Energy: 0.9058550083924878 Energy: 0.982930911960229 Energy: 0.9262641839843078 Energy: 0.9463150263674599 Energy: 0.9906851029362282 Energy: 0.9247980725865271 Energy: 0.9545919117128163 Energy: 1.0314228505181446 Energy: 0.9494183823025355 Energy: 0.990585860277489 Energy: 1.0213123885390223 Energy: 0.9516318155013996 Energy: 0.9088776012532744 Energy: 1.0079797732692566 Energy: 1.168199258157808 Energy: 1.4079113949361493 Energy: 1.3877072060692541 Energy: 1.1151589786293228 Energy: 1.4239935817463771 Energy: 1.154759483706061 Energy: 1.2901261535184991 Energy: 1.5827912084008882 Energy: 1.560886726614895 Energy: 1.392958093240712 Energy: 1.5810621991057674 Energy: 1.6779212885749026 Energy: 1.164966522705271 Energy: 1.1798462910367 Energy: 1.081095299043488 Energy: 0.9560633717312175 Energy: 1.1803284517436867 Energy: 0.9388995103251879 Energy: 1.036157449303013 Energy: 1.0083386172393383 Energy: 1.0634534868538954 Energy: 1.039113797307189 Energy: 0.9478877062999936 Energy: 1.1393607990310695 Energy: 1.4871379490064256 Energy: 0.9746193324303507 Energy: 1.01726635177032 Energy: 1.1740255244636844 Energy: 0.9714650431844228 Energy: 1.0097676652053613 Energy: 1.5623029575091125 Energy: 1.5359370443071712 Energy: 1.4237847862835284 Energy: 1.5654679500671704 Energy: 1.542888544996624 Energy: 1.5156973110919338 Energy: 1.9497722050066268 Energy: 1.533680296092688 Energy: 1.3836663356810806 Energy: 1.522049864843518 Energy: 1.7205525116651428 Energy: 1.4585579931634811 Energy: 1.3233917921792555 Energy: 1.1915390255831066 Energy: 1.2552251397238465 Energy: 1.3241857425838959 Energy: 1.241603528990068 Energy: 1.2980955420774984 Energy: 1.1263542093531427 Energy: 1.1855115281453434 Energy: 1.1908826569385427 Energy: 1.1060339197694629 Energy: 1.2368808385542083 Energy: 1.1677019549770986 Energy: 1.1406872440928226 Energy: 1.1464297796422682 Energy: 1.1262752480171772 Energy: 1.1409466750968111 Energy: 1.4891652468758487 Energy: 1.0659123310257328 Energy: 1.3981573645117475 Energy: 1.4003976658690873 Energy: 1.310672755943041 Energy: 1.3987977531332623 Energy: 1.3877588977124231 Energy: 1.521197159081831 Energy: 1.5950836807745907 Energy: 1.3480524019802547 Energy: 1.3449210619272 Energy: 1.591797130101208 Energy: 1.3998513217085216 Energy: 1.3940158693648643 Energy: 1.3527291701820368 Energy: 1.4569212077009663 Energy: 1.3869435023844197 Energy: 1.3554310107871543 Energy: 1.4356753806783868 Energy: 1.4465484559692474 Energy: 1.7987681680957677 Energy: 1.237184197515856 Energy: 1.2054767506103954 Energy: 1.3544160791595456 Energy: 1.2348764122602545 Energy: 1.1695081702281278 Energy: 1.6573958980053412 Energy: 1.1098821350268282 Energy: 1.134635097388048 Energy: 1.1762589217617512 Energy: 1.1089088404349645 Energy: 1.1857189409148123 Energy: 1.1848552905683725 Energy: 1.22468388694814 Energy: 1.2848242156870684 Energy: 1.1807890086423876 Energy: 1.1719042520921226 Energy: 1.3313271853689554 Energy: 1.5965360190360616 Energy: 1.3080892217872393 Energy: 1.3739805982372693 Energy: 1.5984783433088043 Energy: 1.4097198474365442 Energy: 1.4030025310884944 Energy: 1.685239201282468 Energy: 1.5022318818356069 Energy: 1.4117382813146933 Energy: 1.6859358587596773 Energy: 1.5116225847904825 Energy: 1.6128012562712448 Energy: 0.9725675669654504 Energy: 1.1340000066781422 Energy: 1.068668669562905 Energy: 0.970885260119484 Energy: 1.5165695613006291 Energy: 0.9915740353614053 Energy: 0.9673564539751339 Energy: 1.0963188959127215 Energy: 1.1301786739779076 Energy: 0.970160566491096 Energy: 1.1232358284599848 Energy: 1.0345662774228352 Energy: 0.9580424275500803 Energy: 1.0800379993438287 Energy: 1.0947630396166375 Energy: 0.9601730363608612 Energy: 1.120687735398014 Energy: 1.1274842901254447 Energy: 2.148678130061956 Energy: 1.3168335515443037 Energy: 1.1890985866452688 Energy: 1.725425109790381 Energy: 1.3537466377335714 Energy: 1.3789184165071455 minimum gb energy = 0.9058550083924878 eV minimum distance = 2.52902799547272 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 1.6984824474706828 Energy: 1.8444648314335332 Energy: 1.6099570645009362 Energy: 1.701429210700493 Energy: 1.8443113101240671 Energy: 1.3973838590955985 Energy: 0.9838432939435199 Energy: 1.017009186139744 Energy: 1.0177185308582757 Energy: 1.1313299327714461 Energy: 0.9857047509079241 Energy: 1.0849621758706924 Energy: 1.023807255805063 Energy: 1.0234938666090034 Energy: 1.0807094403560356 Energy: 1.0257044019144856 Energy: 1.049157355118885 Energy: 1.0989050431080207 Energy: 1.04763637509278 Energy: 1.0547054354670815 Energy: 1.0943594780458124 Energy: 1.0494441507731758 Energy: 0.9637878845764015 Energy: 1.0586042370025655 Energy: 1.2473314981996892 Energy: 1.4729883138315605 Energy: 1.4731202407512665 Energy: 0.9841374817168614 Energy: 1.2689481995803655 Energy: 1.1947623480283762 Energy: 1.214919586427951 Energy: 1.6436621481095204 Energy: 1.4572477099540186 Energy: 1.3755240808863105 Energy: 1.6436029900431897 Energy: 1.458050998187424 Energy: 1.3698849213248054 Energy: 1.1919255981540113 Energy: 1.2822148628347725 Energy: 1.047452214778354 Energy: 1.2444994741496085 Energy: 1.2788140051604004 Energy: 1.1869750579891887 Energy: 1.0782913333309403 Energy: 1.1458146982533794 Energy: 1.1899244289815598 Energy: 1.0916747152054287 Energy: 1.1968266654810242 Energy: 1.6757436417456797 Energy: 1.0358106729724281 Energy: 1.0343076223103467 Energy: 1.4951440461050505 Energy: 1.0377854124052897 Energy: 1.119238992372598 Energy: 1.4352931177716737 Energy: 1.3754311865700608 Energy: 1.4370522622815902 Energy: 1.4375460691667936 Energy: 1.3748323572152485 Energy: 1.4138253517655854 Energy: 1.4323291253119679 Energy: 1.4573285920967234 Energy: 1.3446776636934339 Energy: 1.4282798231996314 Energy: 1.4748248823085501 Energy: 1.3460263684077403 Energy: 1.47952842102996 Energy: 1.366055564154445 Energy: 1.3120434225593587 Energy: 1.4802618291077394 Energy: 1.4700440286858385 Energy: 1.354757557459988 Energy: 1.3032804446788955 Energy: 1.3660537259588517 Energy: 1.3117684411563222 Energy: 1.3114597641230803 Energy: 1.470348116657733 Energy: 1.3042807243349244 Energy: 1.0354993784205069 Energy: 1.1529111782998944 Energy: 1.1039135275268865 Energy: 1.0366487800056496 Energy: 1.0565283023722774 Energy: 1.071550191164089 Energy: 1.048492299959799 Energy: 1.3958228637295769 Energy: 1.2774098521649522 Energy: 1.0493402090700752 Energy: 1.3854912684777734 Energy: 1.2137792488008146 Energy: 1.2964393899463282 Energy: 1.0207592525120048 Energy: 1.025233699223298 Energy: 1.2846975132120444 Energy: 1.355376008341996 Energy: 1.0618989058666048 Energy: 1.7016735426449394 Energy: 1.5016661825654631 Energy: 1.62823442042553 Energy: 1.7040345201536715 Energy: 1.5015069378053396 Energy: 1.3328060846139265 Energy: 2.211569942769588 Energy: 1.1359508119535222 Energy: 1.1707547332651362 Energy: 1.5540221371188563 Energy: 0.9859189390429279 Energy: 1.2842025567063626 Energy: 1.0247006922553028 Energy: 1.0251923705565962 Energy: 1.0821074463459393 Energy: 0.9993900926102519 Energy: 1.047743182597764 Energy: 1.0798972956276507 Energy: 1.0575831208857198 Energy: 1.0722130990140073 Energy: 1.0615638028891163 Energy: 1.0505412503412923 Energy: 1.0039354185374538 Energy: 1.043778702626009 Energy: 1.0447324556804591 Energy: 1.1811440256709749 Energy: 1.0474805976474348 Energy: 0.9839461331909556 Energy: 1.1340057107710018 Energy: 1.047745801898965 Energy: 1.5131181093254262 Energy: 1.643922135929894 Energy: 1.6109393514040207 Energy: 1.528048506104298 Energy: 1.7273921224386566 Energy: 1.4542002115626345 Energy: 1.4566748971383607 Energy: 1.1403208012325083 Energy: 1.2822188380417787 Energy: 1.0446945854002248 Energy: 1.3069640838518681 Energy: 1.2802253834516284 Energy: 1.1850353664138185 Energy: 1.1146698674278732 Energy: 1.1463632274981073 Energy: 1.1876744452633032 Energy: 1.0694871186032426 Energy: 1.1054530015313633 Energy: 1.7321048834274326 Energy: 1.0359697668206458 Energy: 1.0732081091662684 Energy: 1.0540810059153913 Energy: 1.0365493545664357 Energy: 1.103903197295126 Energy: 1.4307617175977205 Energy: 1.3119350067537685 Energy: 1.3805250822181852 Energy: 1.4283466408982917 Energy: 1.0356411576659441 Energy: 1.3548090430831823 Energy: 1.4354151799419672 Energy: 1.4531157052562407 Energy: 1.4019103140042004 Energy: 1.429098690647107 Energy: 1.408556371366875 Energy: 1.5471256133615723 Energy: 1.739595647348217 Energy: 1.1094027717467707 Energy: 1.0965250070988874 Energy: 1.7202666827690116 Energy: 0.9507656790255979 Energy: 1.2586084437220566 Energy: 1.3917046417792145 Energy: 1.4820873053780923 Energy: 1.3538332691907673 Energy: 1.3935815525380517 Energy: 1.4762455350015298 Energy: 1.2864798737811767 Energy: 1.036981645925054 Energy: 1.250424560517834 Energy: 1.0718209736267024 Energy: 1.036108533822834 Energy: 1.1738575836209173 Energy: 1.0718823353938929 Energy: 1.031832845778871 Energy: 1.2829776979217968 Energy: 1.1872789360966631 Energy: 1.0284788684910016 Energy: 1.3189208905991403 Energy: 1.1873594258811904 Energy: 1.0563582259468984 Energy: 1.0348489723986471 Energy: 1.036620603791293 Energy: 1.0528127818737385 Energy: 0.9861514771371586 Energy: 1.062392214493834 Energy: 1.7141263597705796 Energy: 1.3016673246013868 Energy: 1.455667777931073 Energy: 1.7156633352440183 Energy: 1.2925690942832915 Energy: 1.5768600079293702 minimum gb energy = 0.9507656790255979 eV minimum distance = 2.50690788186232 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 1.3328674034095698 Energy: 1.7729183159283073 Energy: 1.3725231044291564 Energy: 1.3354278888256776 Energy: 1.7715560099177747 Energy: 1.6311805826915473 Energy: 1.4483121114141677 Energy: 1.1059507041933392 Energy: 1.1038662718219976 Energy: 1.5130847590316998 Energy: 1.0711098741127116 Energy: 1.1459625595501777 Energy: 1.1312951245231284 Energy: 1.1049942890147717 Energy: 1.0959372761943285 Energy: 1.1331655921212542 Energy: 1.1602046386876523 Energy: 1.2161183585196207 Energy: 1.151905888411998 Energy: 1.1729999328910552 Energy: 1.0822592824533879 Energy: 1.1534354586645421 Energy: 1.0360903706874918 Energy: 1.1364808738988554 Energy: 1.064730654302983 Energy: 1.3974836960198354 Energy: 1.1430524921911958 Energy: 1.0714646792304554 Energy: 1.4468097376168112 Energy: 1.1336232466623097 Energy: 1.37706059925101 Energy: 1.5295863643593446 Energy: 1.342980003374797 Energy: 1.3103126768995998 Energy: 1.7215333512642235 Energy: 1.186434429296896 Energy: 1.285676655480753 Energy: 1.0968950936415198 Energy: 1.364151689580353 Energy: 1.1589886013369644 Energy: 1.1562083460302075 Energy: 1.3628527426923054 Energy: 1.3341968840977534 Energy: 1.1545944936751802 Energy: 1.1598565527329219 Energy: 1.3374478894847281 Energy: 1.2119096957556958 Energy: 1.306468263396885 Energy: 1.4897254487166003 Energy: 1.0320756388599341 Energy: 1.025056576601084 Energy: 1.565839661693587 Energy: 1.0264678406228087 Energy: 1.0710759755425645 Energy: 1.706949887450277 Energy: 1.211335244781275 Energy: 1.1906400661526324 Energy: 1.5135332765834728 Energy: 1.1499002943430805 Energy: 1.1887086784555712 Energy: 1.5076551483925273 Energy: 1.3090902201898729 Energy: 1.402911359148115 Energy: 1.0560810141367325 Energy: 1.2374955297573296 Energy: 1.3646777088962414 Energy: 1.2495885991343945 Energy: 1.615388257174473 Energy: 1.4165347000329442 Energy: 1.2514683012442676 Energy: 1.3537434846297995 Energy: 1.4159465700301332 Energy: 1.2576766888715585 Energy: 1.6886924779528556 Energy: 1.6155087056873958 Energy: 1.258321533191081 Energy: 1.6885930865527259 Energy: 1.4183091066391869 Energy: 1.0647944584450333 Energy: 1.091029469748741 Energy: 1.1705656152952624 Energy: 1.0664051035966258 Energy: 1.0938227796092963 Energy: 1.1085416900448413 Energy: 0.9537725170599302 Energy: 1.2296878668303164 Energy: 1.2427385080771856 Energy: 1.1991761882274028 Energy: 1.1547043953536575 Energy: 1.17415789304418 Energy: 1.0278431862508783 Energy: 1.1056886095953418 Energy: 1.1084365348411171 Energy: 1.0196240250469577 Energy: 1.1643765293070856 Energy: 1.1487187875657598 Energy: 1.7179462773629879 Energy: 1.6814619222133353 Energy: 1.3210073781856855 Energy: 1.7198121233939816 Energy: 1.6727162340431816 Energy: 1.4816378015941747 Energy: 1.8703054805806816 Energy: 1.259069643793397 Energy: 1.1295934448771414 Energy: 1.657351103635752 Energy: 1.3246089758359816 Energy: 1.1267900381665776 Energy: 1.034918556528244 Energy: 1.3401816290244302 Energy: 1.2236066048061474 Energy: 1.0365159141569975 Energy: 1.3112938943140655 Energy: 1.249795586875852 Energy: 1.1288215023983528 Energy: 1.1845409040851895 Energy: 1.1488739443544411 Energy: 1.130394238076555 Energy: 1.3116656464352845 Energy: 1.1913241288435397 Energy: 1.0274275774915733 Energy: 1.26643275482952 Energy: 1.0614729821554867 Energy: 1.02914733126276 Energy: 1.1684317212036663 Energy: 1.0631677539343043 Energy: 1.1977484729552663 Energy: 1.5531286301921632 Energy: 1.5098524620594123 Energy: 1.199210728057788 Energy: 1.5372154800648508 Energy: 1.2627456037111588 Energy: 1.4039261463810393 Energy: 1.1080515364216301 Energy: 1.35747326565857 Energy: 1.4683514854317328 Energy: 1.0684280510852513 Energy: 1.402817232931808 Energy: 1.3348066137962227 Energy: 1.311844383799667 Energy: 1.347499381482173 Energy: 2.104524824785281 Energy: 1.31805805295966 Energy: 1.3481820012857912 Energy: 1.8866213123836022 Energy: 1.0652330520614601 Energy: 1.103342281545163 Energy: 1.4528191695725103 Energy: 1.0756425757104617 Energy: 1.141577388281285 Energy: 1.1261272009369132 Energy: 1.0999612670840409 Energy: 1.1008243497684551 Energy: 1.1279605063519058 Energy: 1.0997982236848738 Energy: 1.196943735622406 Energy: 1.1532044519609874 Energy: 1.1814012020156872 Energy: 1.0834323653288476 Energy: 1.1551086405142805 Energy: 1.0713396559680786 Energy: 1.134132559921977 Energy: 1.2264425871282238 Energy: 1.3678217820783765 Energy: 1.1341835975398313 Energy: 1.0760398162627582 Energy: 1.4983703583227628 Energy: 1.1372918447328328 Energy: 1.7210401087226435 Energy: 1.6403411359354374 Energy: 1.3735476314977666 Energy: 1.7230085721582389 Energy: 1.720130126749927 Energy: 1.2235255204601196 Energy: 1.2840793755752435 Energy: 1.150756780050228 Energy: 1.3639612426558312 Energy: 1.3071433601176161 Energy: 1.1534932149465797 Energy: 1.3623639662803018 Energy: 1.3337484197954401 Energy: 1.180569829834855 Energy: 1.087555216908396 Energy: 1.3369896403990849 Energy: 1.1832635047204663 Energy: 1.1209923855387096 Energy: 1.876312245427806 Energy: 1.025848943092541 Energy: 1.0237405537170985 Energy: 1.1822412142944192 Energy: 1.0292653004332888 Energy: 1.0982009480237158 Energy: 1.4829697005053715 Energy: 1.1246128705242164 Energy: 1.1880848826263832 Energy: 1.4361852819619654 Energy: 1.1316577440683226 Energy: 1.187927342453417 Energy: 1.5999201775277483 Energy: 1.2413121780615222 Energy: 1.4207656177251817 Energy: 1.5295198651354076 Energy: 1.173522959595517 Energy: 1.3673730941342832 Energy: 1.4631341792962178 Energy: 1.0284863173908194 Energy: 1.3568229642303646 Energy: 1.2600149443977624 Energy: 1.023616790603984 Energy: 1.2744021758833617 Energy: 1.2960003696245226 Energy: 1.69042888735285 Energy: 1.291876482715022 Energy: 1.2983190473282473 Energy: 1.709858110446479 Energy: 1.4219500502274294 Energy: 1.0637198594113546 Energy: 1.174969351812285 Energy: 1.1805329107674383 Energy: 1.0651661039526594 Energy: 1.0922432791029324 Energy: 1.108765414901157 Energy: 0.970990642608057 Energy: 1.226472779734853 Energy: 1.2241372774256922 Energy: 0.9703788189847508 Energy: 1.1539752854526861 Energy: 1.3478871925147993 Energy: 1.025616503737757 Energy: 1.1669789081545694 Energy: 1.1334671199154716 Energy: 1.0272323318568568 Energy: 1.1614655530249902 Energy: 1.137990331526072 Energy: 1.7011236889757326 Energy: 1.338901732983127 Energy: 1.2173307771198787 Energy: 1.7036708840692867 Energy: 1.3444569761965608 Energy: 1.4073343512769296 Energy: 1.7035263135903502 Energy: 1.166008516794979 Energy: 1.2310189336866137 Energy: 1.510120533684594 Energy: 1.3377589680779414 Energy: 1.2978706452422202 Energy: 1.0324228854943565 Energy: 1.3424158252600003 Energy: 1.1406261746047364 Energy: 1.03395506098228 Energy: 1.313078548328556 Energy: 1.1296404864610199 Energy: 1.209390515364891 Energy: 1.3605010138664302 Energy: 1.240659642657873 Energy: 1.211101286113729 Energy: 1.3289475387243106 Energy: 1.0980509911663752 Energy: 1.0236176967164197 Energy: 1.094874798107056 Energy: 1.0617510457235482 Energy: 1.0252894860265271 Energy: 1.1730315740450172 Energy: 1.0646854591526695 Energy: 1.2218639258354143 Energy: 1.6190130462076362 Energy: 1.389504333949009 Energy: 1.2238938902634566 Energy: 1.6169133404855944 Energy: 1.2357622612564523 Energy: 1.4016835042760993 Energy: 1.104428977048157 Energy: 1.297255476497604 Energy: 1.4020500350400473 Energy: 1.0672036601101476 Energy: 1.3609251466380627 Energy: 2.099199575595777 Energy: 1.3147908913448416 Energy: 1.3518565114923207 Energy: 1.9115862688943972 Energy: 1.311148096884197 Energy: 1.4175314669545613 minimum gb energy = 0.9537725170599302 eV minimum distance = 2.55039989726923 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 1.5409995296800953 Energy: 1.471804040225328 Energy: 1.1357267764324026 Energy: 1.5460096127103247 Energy: 1.4720554417553748 Energy: 1.5282163348740536 Energy: 1.1904909047878787 Energy: 0.9762028635791389 Energy: 1.0315861181698964 Energy: 1.1836049074586155 Energy: 0.9846541052332815 Energy: 0.8840155505886723 Energy: 1.2597685032327288 Energy: 0.9537793738475432 Energy: 1.1191259189135045 Energy: 1.2613486301501737 Energy: 0.9536764327382184 Energy: 1.3946552065776208 Energy: 1.2742894567194076 Energy: 1.120186986336398 Energy: 1.2497938535959219 Energy: 1.2328783792917377 Energy: 1.0884698008129754 Energy: 1.1208024908668497 Energy: 1.290518481457017 Energy: 1.252849235304681 Energy: 1.2494050021791812 Energy: 1.3079958554703428 Energy: 1.029622868616669 Energy: 1.121823937830168 Energy: 1.306993232229044 Energy: 1.2543728793752698 Energy: 1.459900325486373 Energy: 1.3076834563962207 Energy: 1.1806785091585006 Energy: 1.4595971662054854 Energy: 1.4885452214880999 Energy: 1.2225629318915407 Energy: 1.2512608848208224 Energy: 1.4907809803496244 Energy: 1.0689528384030345 Energy: 1.0317537570719946 minimum gb energy = 0.8840155505886723 eV minimum distance = 2.59546085524681 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 1.9615564128543261 Energy: 1.7269238303389745 Energy: 1.3589022475398038 Energy: 1.9451937413235396 Energy: 1.7112907658446572 Energy: 1.5192477775780364 Energy: 1.619747773296696 Energy: 1.3709345586877555 Energy: 1.37815306055218 Energy: 1.4499052863836872 Energy: 1.368805107613546 Energy: 1.4560081022370364 Energy: 1.4839822228131012 Energy: 1.4873702913233497 Energy: 1.4892729624544994 Energy: 1.3952889519105853 Energy: 1.6139594070599264 Energy: 1.5599374524863632 Energy: 1.0384286816172814 Energy: 1.5244121155932164 Energy: 1.3441212986871731 Energy: 1.0490490609512515 Energy: 1.5596109435783072 Energy: 1.1149134430542809 Energy: 1.1563144290628846 Energy: 1.4332096241531727 Energy: 1.344321429598997 Energy: 1.0570334628009364 Energy: 1.4382169279114132 Energy: 1.1831650446970003 Energy: 1.424981130174143 Energy: 1.433679349816744 Energy: 1.4360807519762104 Energy: 1.3432270975803906 Energy: 1.5035758058986675 Energy: 1.4734080935495935 Energy: 1.511891764325144 Energy: 1.3123743041108205 Energy: 1.276080741054523 Energy: 1.1575066161810992 Energy: 1.2967954710055611 Energy: 1.3387208761087417 Energy: 1.8321399661721656 Energy: 1.662693023721061 Energy: 1.3701311784450436 Energy: 1.852858089825895 Energy: 1.632218180423847 Energy: 1.5227102700981971 Energy: 1.573950065876699 Energy: 1.4598229266906957 Energy: 1.5388751986232942 Energy: 1.494261533284177 Energy: 1.5499309320768913 Energy: 1.5082352344709367 Energy: 1.6176737868795974 Energy: 1.6130288300323112 Energy: 1.4851790475181823 Energy: 1.5927769001547325 Energy: 1.8209231671922788 Energy: 1.6331046500133588 Energy: 1.258614441978707 Energy: 1.4510041135707175 Energy: 1.2936083335513222 Energy: 1.2595825721987663 Energy: 1.3970420634560157 Energy: 1.2542688744532333 Energy: 1.5166053867238172 Energy: 1.41395304213035 Energy: 1.4314523037538236 Energy: 1.4748188932743018 Energy: 1.3905595945418268 Energy: 1.4128028754255304 Energy: 1.4958312961697615 Energy: 1.2303675834972534 Energy: 1.2485533644014204 Energy: 1.4561888274462076 Energy: 1.2413433278515535 Energy: 1.4085314726325198 Energy: 1.5876553391925614 Energy: 1.039111333764431 Energy: 1.0856762173859256 Energy: 1.5375826430872848 Energy: 1.0339422549578783 Energy: 1.05749713432814 Energy: 1.5978599163072453 Energy: 1.4205590852327623 Energy: 1.5297778869438103 Energy: 1.6004537171038862 Energy: 1.1836433228621046 Energy: 1.5510805539436012 Energy: 1.5662112913958257 Energy: 1.1578967572311223 Energy: 1.5222900461259035 Energy: 1.4654436559993584 Energy: 1.4266885714942945 Energy: 1.577838359512979 Energy: 1.628727681851909 Energy: 1.6216777712419372 Energy: 1.5189156584990164 Energy: 1.6141339693039334 Energy: 1.9686518177333965 Energy: 1.60050659138304 Energy: 1.510318015505004 Energy: 1.4380394392883729 Energy: 1.1552794949581062 Energy: 1.4802854865089072 Energy: 1.2467484761602974 Energy: 1.4071679286228493 Energy: 1.9772949675250941 Energy: 1.5245270453342696 Energy: 1.5265573768498102 Energy: 1.7446991030237529 Energy: 1.437074047825149 Energy: 1.4815473323396537 Energy: 1.8684096643561692 Energy: 1.1088752585863386 Energy: 1.0967440021101271 Energy: 1.6768132537386664 Energy: 1.1116198534871633 Energy: 1.2774671139126714 Energy: 1.5355458089631016 Energy: 1.1386118271462684 Energy: 1.209218097195173 Energy: 1.3771830541316095 Energy: 1.2189453154393886 Energy: 1.2179199340255016 Energy: 1.38783559676016 Energy: 1.494253622215749 Energy: 1.5236571907460064 Energy: 1.389388664380174 Energy: 1.4588092824561978 Energy: 1.501647221334143 Energy: 1.1639543222318105 Energy: 1.2852700383637323 Energy: 1.1713820060440399 Energy: 1.1380447524143587 Energy: 1.2072492403503234 Energy: 1.1757161902103077 Energy: 1.2184028284917368 Energy: 1.6224028869256273 Energy: 1.5454387069325195 Energy: 1.2183111471304084 Energy: 1.7609541531632265 Energy: 1.4975355658970324 Energy: 1.5623450037503341 Energy: 1.513256048361103 Energy: 1.5595592181899762 Energy: 1.5544840956741521 Energy: 1.5294734137466834 Energy: 1.5391526753057252 Energy: 2.022164091139737 Energy: 1.5516807401541624 Energy: 1.526217740654495 Energy: 1.5128982386617205 Energy: 1.545816996875859 Energy: 1.4946218273061718 Energy: 1.7637716167987487 Energy: 1.49181200620517 Energy: 1.4261191418299493 Energy: 1.661615899186357 Energy: 1.491503363607245 Energy: 1.4508569166385081 Energy: 1.549065424212866 Energy: 1.5334033539100953 Energy: 1.4938527445701322 Energy: 1.5496393091018563 Energy: 1.599917042184868 Energy: 1.4693149785872803 Energy: 1.1632501401377 Energy: 1.4927765282632173 Energy: 1.5524559259742252 Energy: 1.1649546860517437 Energy: 1.6303303918332415 Energy: 1.4357851661774605 Energy: 1.0484011315755115 Energy: 1.3547711477218125 Energy: 1.0545159194183065 Energy: 1.051292228579049 Energy: 1.426360493463922 Energy: 1.066162823732809 Energy: 1.266122288997306 Energy: 1.580035840808603 Energy: 1.5877102439829986 Energy: 1.2468514210110377 Energy: 1.6033824599861082 Energy: 1.4867465037128318 Energy: 1.4221092629801182 Energy: 1.3825525328758712 Energy: 1.3502802921307882 Energy: 1.3503799576905129 Energy: 1.320500905748904 Energy: 1.3653746284152528 Energy: 1.9214003539021236 Energy: 1.3015868347454969 Energy: 1.3010932955631005 Energy: 1.7622205401241642 Energy: 1.3230148132350679 Energy: 1.5274822829970418 Energy: 1.7165936830410937 Energy: 1.5373148374882362 Energy: 1.5491915876512352 Energy: 1.650199329878221 Energy: 1.5158499995359707 Energy: 1.5516220680472939 Energy: 1.5518472958865084 Energy: 1.4334875282067785 Energy: 1.4575018551748633 Energy: 1.5171955149749243 Energy: 1.4258677991629165 Energy: 1.5077977575604073 Energy: 1.357432384022269 Energy: 1.636729095547965 Energy: 1.5350216223571738 Energy: 1.3845996963199898 Energy: 1.7839890564889975 Energy: 1.3856285394018324 Energy: 1.366405444924481 Energy: 1.3512399621376903 Energy: 1.336722556117554 Energy: 1.3220207563134991 Energy: 1.3760359867535372 Energy: 1.344473775432847 Energy: 1.4900230308717257 Energy: 1.2687943986872452 Energy: 1.4557319577058274 Energy: 1.4935172673729853 Energy: 1.2862408626649315 Energy: 1.5561719697503558 Energy: 1.6054307089794515 Energy: 1.0417132857815652 Energy: 1.0520347997549344 Energy: 1.6053565281977007 Energy: 1.0346606807575274 Energy: 1.1228631241568052 Energy: 1.6099152922110003 Energy: 1.1546614621955733 Energy: 1.1533326454265174 Energy: 1.6083247310934117 Energy: 1.1718637080211376 Energy: 1.4590587167167381 Energy: 1.7038889111239166 Energy: 1.479662392749101 Energy: 1.5171998389997436 Energy: 1.6629724834220032 Energy: 1.4091818204192403 Energy: 1.513856999469645 Energy: 1.604791582509328 Energy: 1.5252538728232767 Energy: 1.4587428343560878 Energy: 1.597387859154584 Energy: 1.9642562420811276 Energy: 1.3634752742606886 Energy: 1.6862884102540827 Energy: 1.670139830451582 Energy: 1.5201049654020626 Energy: 1.6886730047330676 Energy: 1.771917407949647 Energy: 1.6180218211858048 Energy: 1.6237976842570627 Energy: 1.5964795979328976 Energy: 1.5374994209502535 Energy: 1.4143517952072788 Energy: 1.5198670994317705 Energy: 1.5441135930116456 Energy: 1.7189859446494429 Energy: 1.3228098248347127 Energy: 1.3127023139534681 Energy: 1.7280190733953793 Energy: 1.2341113679475344 Energy: 1.4884419335295922 Energy: 1.4295444581225585 Energy: 1.1120485445593962 Energy: 1.1331190069410353 Energy: 1.381147384768213 Energy: 1.097983029431352 Energy: 1.127975011526912 Energy: 1.434372261561564 Energy: 1.3497884164582425 Energy: 1.405194528998425 Energy: 1.430326549470398 Energy: 1.3492233547787609 Energy: 1.495280971564561 Energy: 1.2762226538216281 Energy: 1.389787373328565 Energy: 1.3687448618896232 Energy: 1.1913659607931102 Energy: 1.398982066514483 Energy: 1.2871818469434209 Energy: 1.1762076005724715 Energy: 1.606249300852155 Energy: 1.3596011224566176 Energy: 1.18179869690248 Energy: 1.613039936589694 Energy: 1.1209553548050373 Energy: 1.6205080309048538 Energy: 1.532692099681385 Energy: 1.4635912915337623 Energy: 1.498618641237571 Energy: 1.6555018754000752 Energy: 1.6361719094577483 Energy: 1.618366355277026 Energy: 1.477550852047355 Energy: 1.3763267408663327 Energy: 1.3840000456789456 Energy: 1.445576858787641 Energy: 1.4944924010093268 minimum gb energy = 1.0339422549578783 eV minimum distance = 2.50473205467053 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 2.0841641105647075 Energy: 1.5083997220974896 Energy: 1.176044181550322 Energy: 2.0407883016767943 Energy: 1.4933256215161712 Energy: 1.6118320247897857 Energy: 1.6777780969418152 Energy: 1.137453949349323 Energy: 1.1381318605935213 Energy: 1.2212288124028767 Energy: 1.1399469626187486 Energy: 1.2441598757848666 Energy: 1.5073328025258033 Energy: 1.3927544381168757 Energy: 1.404335401325856 Energy: 1.4471149702458739 Energy: 1.4190776947013597 Energy: 1.5846854749918393 Energy: 1.264132788961512 Energy: 1.213118744171851 Energy: 1.2166719280408427 Energy: 1.1263966705548651 Energy: 1.3661959878622052 Energy: 1.1001819852814827 Energy: 1.1483753538692585 Energy: 1.5473231616814955 Energy: 1.5087818723533 Energy: 1.1345918322872457 Energy: 1.5503811884559575 Energy: 1.1548802377533163 Energy: 1.4998066761835378 Energy: 1.457541560989484 Energy: 1.4676570625296246 Energy: 1.4738510125384845 Energy: 1.4608642347686325 Energy: 1.47756059328398 Energy: 1.2244073675335103 Energy: 1.1170919102870567 Energy: 1.113553653933638 Energy: 1.4338741726482886 Energy: 1.124112089195469 Energy: 1.4177466789693511 Energy: 1.7968691279024591 Energy: 1.7489515970847715 Energy: 1.7298753859665785 Energy: 1.803831989919062 Energy: 1.748017988380818 Energy: 1.2014997345563625 Energy: 1.499095913690427 Energy: 1.206234324248401 Energy: 1.4363285232724226 Energy: 1.4283901548617342 Energy: 1.2061265513668817 Energy: 1.4636893539945448 Energy: 1.4671866412180712 Energy: 1.5061701491310093 Energy: 1.5065466012852196 Energy: 1.43635270504459 Energy: 1.5348813967091526 Energy: 1.3427803271417986 Energy: 1.1777559546280567 Energy: 1.4556166687849261 Energy: 1.1969869268722144 Energy: 1.2002735824995499 Energy: 1.6523827518391299 Energy: 1.1869211235542336 Energy: 1.419823565052283 Energy: 1.3534654728035498 Energy: 1.29322281730995 Energy: 1.3875427352814746 Energy: 1.3845202257881588 Energy: 1.313051911916229 Energy: 1.4194590612332196 Energy: 1.369194114342985 Energy: 1.2671513627333681 Energy: 1.4181072112847903 Energy: 1.351875369564198 Energy: 1.2644893279839116 Energy: 1.615128717186578 Energy: 1.1722001809902705 Energy: 1.1792875338911346 Energy: 1.6131886508267426 Energy: 1.1301147083061336 Energy: 1.177189407299995 Energy: 1.7739756577668662 Energy: 1.4624397456962446 Energy: 1.5215482284267854 Energy: 1.770057675967011 Energy: 1.501901466361963 Energy: 1.4730991941875333 Energy: 1.499920762951292 Energy: 1.4350963182959335 Energy: 1.4379852962812918 Energy: 1.497734002920924 Energy: 1.4519985356994498 Energy: 1.445799913714198 Energy: 1.7130309741653857 Energy: 1.7943858997953477 Energy: 1.46603268274283 Energy: 1.7143723030684677 Energy: 1.805545919826495 Energy: 1.2026129635627256 Energy: 1.3234470153453979 Energy: 1.1301905123903824 Energy: 1.3938833975328109 Energy: 1.286604246306606 Energy: 1.266088574386208 Energy: 1.2289039842678446 Energy: 1.6500294702969287 Energy: 1.3915770823161462 Energy: 1.306722228118175 Energy: 1.6514269304299034 Energy: 1.3747461008402226 Energy: 1.363032148510594 Energy: 1.6433146190064332 Energy: 1.1612904234894554 Energy: 1.1700000021889523 Energy: 1.5906817366009838 Energy: 1.1698631705622642 Energy: 1.1691720716921745 Energy: 1.4577216191642157 Energy: 1.1293656890766137 Energy: 1.129604939262634 Energy: 1.38491712262722 Energy: 1.1839339575221248 Energy: 1.2659399226655605 Energy: 1.448088436621302 Energy: 1.538458520966717 Energy: 1.4817421771318577 Energy: 1.4427180022795392 Energy: 1.4637965324573583 Energy: 1.494818903214824 Energy: 1.1508715560458207 Energy: 1.2830586974268354 Energy: 1.1316890340900556 Energy: 1.1519392613109691 Energy: 1.1968131293813442 Energy: 1.1785528927947888 Energy: 1.2630348369165534 Energy: 1.527188972879548 Energy: 1.5099269666357165 Energy: 1.2520851174925705 Energy: 1.5843951442889337 Energy: 1.1996188164314332 Energy: 1.4808284082247285 Energy: 1.1757885571995101 Energy: 1.4377430425815805 Energy: 1.4784015999815736 Energy: 1.483472881318356 Energy: 1.437507195490819 Energy: 1.7947848541569003 Energy: 1.4492843774295203 Energy: 1.449153046684034 Energy: 1.785855773353019 Energy: 1.4589125192960293 Energy: 1.4818918919626403 Energy: 1.8288699422652743 Energy: 1.5449371361088682 Energy: 1.5538363734994562 Energy: 1.6263657708740016 Energy: 1.733265004634673 Energy: 1.552736212416233 Energy: 1.4081700595341395 Energy: 1.4480577402542971 Energy: 1.4917964149227567 Energy: 1.3900884630491173 Energy: 1.6104499545586894 Energy: 1.4493636644528443 Energy: 1.2021418474965557 Energy: 1.5068585095626665 Energy: 1.5068421426537972 Energy: 1.2176455865211302 Energy: 1.5101800449508214 Energy: 1.1527676912003024 Energy: 1.1980597477124455 Energy: 1.3077213790551585 Energy: 1.1676724303893402 Energy: 1.1639927407053534 Energy: 1.2057404997391712 Energy: 1.1483224679628528 Energy: 1.4514840802666893 Energy: 1.429376307197183 Energy: 1.546344146025502 Energy: 1.4544019540775417 Energy: 1.4529122773708145 Energy: 1.4104052908782079 Energy: 1.232246352569489 Energy: 1.1082020673073276 Energy: 1.1028778550991496 Energy: 1.1705396472723255 Energy: 1.110513500752254 Energy: 1.0904839214542 Energy: 1.8508202238239722 Energy: 1.1807285139958685 Energy: 1.1770263014884181 Energy: 1.5318741370010283 Energy: 1.182639495691314 Energy: 1.4777308716010902 Energy: 1.507141201301814 Energy: 1.419218763529852 Energy: 1.5376985997323471 Energy: 1.5019732717023706 Energy: 1.4724778748942606 Energy: 1.4382376098742664 Energy: 1.11929396970322 Energy: 1.2941622813038143 Energy: 1.3491508574530908 Energy: 1.113039514262028 Energy: 1.5956494309288203 Energy: 1.1188056581389765 Energy: 1.6233410571312044 Energy: 1.544024225757467 Energy: 1.2479984702331248 Energy: 1.5436600721753846 Energy: 1.7856366170883886 Energy: 1.5871282117290244 Energy: 1.6771216036741248 Energy: 1.4073218494343258 Energy: 1.4069047992443924 Energy: 1.5967381161147933 Energy: 1.3566236397906153 Energy: 1.5029512862978016 Energy: 2.083465400384933 Energy: 1.2044249742880324 Energy: 1.1735867647696154 Energy: 2.041877175701555 Energy: 1.2516060304092167 Energy: 1.5661713868877156 minimum gb energy = 1.0904839214542 eV minimum distance = 2.53206384826982 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 2.069054732578868 Energy: 1.5894198788998055 Energy: 1.3225816953430303 Energy: 2.070680565188836 Energy: 1.7832692253139266 Energy: 1.2171781936239958 Energy: 1.5896337497169715 Energy: 1.12806996308811 Energy: 1.128591225464014 Energy: 1.416108913327008 Energy: 1.4383020812871605 Energy: 1.2446147285974607 Energy: 1.4860344891621062 Energy: 1.4867443734679158 Energy: 1.4407235677019212 Energy: 1.396867311953489 Energy: 1.5348173792708655 Energy: 1.4724588399474794 Energy: 0.9981353851161124 Energy: 1.468426418299345 Energy: 1.0878650192933081 Energy: 0.9994306172043232 Energy: 1.4528104315838857 Energy: 0.9969529871760748 Energy: 1.05258927892852 Energy: 1.3223103276594308 Energy: 1.241251131336855 Energy: 1.0582650528592197 Energy: 1.3215547643961434 Energy: 1.105913197717027 Energy: 1.4601040913035075 Energy: 1.2877032254210545 Energy: 1.15646186921471 Energy: 1.4240264830163565 Energy: 1.299293281197282 Energy: 1.3154753352168826 Energy: 1.453772557076364 Energy: 0.9974076813103623 Energy: 0.9976205589324006 Energy: 1.3611990095144326 Energy: 1.006120622972804 Energy: 0.99811365386819 Energy: 1.7250775859897005 Energy: 1.0776948864998281 Energy: 1.4624507884413556 Energy: 1.7277778486907127 Energy: 1.0782800885885149 Energy: 1.4860538474611202 Energy: 1.4335442697610385 Energy: 1.2392639197713666 Energy: 1.33226397887626 Energy: 1.435402461911023 Energy: 1.4730683601303278 Energy: 1.5023133529208155 Energy: 1.5471738347381512 Energy: 1.6137812807905583 Energy: 1.5325256657363344 Energy: 1.545129837927034 Energy: 1.613797154111596 Energy: 1.3322956979872407 Energy: 1.37180446283216 Energy: 1.4069164571755695 Energy: 1.610679670338927 Energy: 1.377028458854637 Energy: 1.5648485322688372 Energy: 1.3142600881656097 Energy: 1.478730479563274 Energy: 1.408848199098285 Energy: 1.5030553253653867 Energy: 1.6096060996833075 Energy: 1.4503332911441966 Energy: 1.503284771163586 Energy: 1.915997669666323 Energy: 1.1150264863845223 Energy: 1.091731815248712 Energy: 1.54348831862142 Energy: 1.1153182836209632 Energy: 1.439718070655949 Energy: 1.5940915565668836 Energy: 1.1911013784915605 Energy: 1.2160510614032531 Energy: 1.23142676673077 Energy: 1.1503462741236654 Energy: 1.2478540651105512 Energy: 1.2496186756429144 Energy: 1.4832474425399997 Energy: 1.5045124675993427 Energy: 1.2497486247059533 Energy: 1.445686901959284 Energy: 1.498485625165647 Energy: 0.9587384573166857 Energy: 1.309889100888037 Energy: 1.055322716439912 Energy: 0.9611326536642806 Energy: 1.3890686310407625 Energy: 0.9572228641120378 Energy: 1.135198415559151 Energy: 1.3886440298221099 Energy: 1.388202322575267 Energy: 1.1352573149365968 Energy: 1.461626314809209 Energy: 1.3569063769232168 Energy: 1.4841408885627514 Energy: 1.4080590968448714 Energy: 1.382583402229172 Energy: 1.3731837074550777 Energy: 1.3465940298428796 Energy: 1.3843585895806547 Energy: 1.7259923697703579 Energy: 1.3402429427904023 Energy: 1.3324005589223007 Energy: 1.6013263457638975 Energy: 1.336468373620734 Energy: 1.2602566862521385 Energy: 1.6497456135089756 Energy: 1.4526735497728456 Energy: 1.5598139430338822 Energy: 1.597565748714688 Energy: 1.4774247746666187 Energy: 1.4452448225173533 Energy: 1.4262502969133646 Energy: 1.2625684618435808 Energy: 1.4030920403724931 Energy: 1.4282511857350837 Energy: 1.4165624258411451 Energy: 1.1683515013487946 Energy: 1.3548131375892762 Energy: 1.5319256411211346 Energy: 1.4710526448468402 Energy: 1.354486741687956 Energy: 1.882091026415793 Energy: 1.2125422307254816 Energy: 1.2217966993936589 Energy: 1.1960674579721597 Energy: 1.1701126050312904 Energy: 1.2183659312577177 Energy: 1.322747739667162 Energy: 1.410596500174774 Energy: 1.5900993123518243 Energy: 1.4006518739907736 Energy: 1.4620289871807162 Energy: 1.4636215320174535 Energy: 1.3921757235444874 Energy: 1.4272506173957904 Energy: 1.3622573269655809 Energy: 0.9573309356300648 Energy: 0.9639083578701182 Energy: 1.345105895796004 Energy: 0.9573960108684594 Energy: 1.0052494763123156 Energy: 1.5625322429791098 Energy: 1.0208915437523092 Energy: 1.0947380482608062 Energy: 1.3857811869804912 Energy: 1.0204571246570404 Energy: 1.2099709460189345 Energy: 1.3915107535260127 Energy: 1.2783022602722882 Energy: 1.3787371723283366 Energy: 1.3659450723269226 Energy: 1.32833792796237 Energy: 1.359196404623874 Energy: 1.108944369005972 Energy: 1.3173917646729243 Energy: 1.2030987361254308 Energy: 1.1103454679438052 Energy: 1.2178050847009956 Energy: 1.104996582163278 Energy: 1.4285662947396691 Energy: 1.5278707487157521 Energy: 1.405893303441588 Energy: 1.430264485780448 Energy: 1.7518844782913616 Energy: 1.4210607405829092 Energy: 1.3981931746373197 Energy: 1.1288226623945377 Energy: 1.352029739127133 Energy: 1.3731316101290072 Energy: 1.177433832169221 Energy: 1.4179777453181475 Energy: 2.072357403133825 Energy: 1.6507450827672405 Energy: 1.4321673336921583 Energy: 1.551885977674451 Energy: 1.6038737140604442 Energy: 1.5871535055645407 minimum gb energy = 0.9572228641120378 eV minimum distance = 2.54266567198399 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 1.5888665769834565 Energy: 1.5726055649737174 Energy: 1.0864277701058762 Energy: 1.5914072023219856 Energy: 1.5747467429103807 Energy: 1.673823133581635 Energy: 1.495764513419408 Energy: 1.094650338067353 Energy: 1.169891506153545 Energy: 1.318427965825081 Energy: 1.0945672496424779 Energy: 1.1650673720235936 Energy: 1.3607271679754338 Energy: 1.3015143234284776 Energy: 1.3083427950660127 Energy: 1.361076518725178 Energy: 1.3989501584596082 Energy: 1.397835923080135 Energy: 0.997177222324198 Energy: 1.3221839864060692 Energy: 1.3087553060997217 Energy: 0.9986960741778178 Energy: 1.3567261282267988 Energy: 0.9957817818422363 Energy: 1.1186685509289194 Energy: 1.3078117954515498 Energy: 1.2999711883448943 Energy: 1.1185713759960136 Energy: 1.2746095576144554 Energy: 1.0928013773685135 Energy: 1.4138908001105188 Energy: 1.223925566882331 Energy: 1.2240613356949392 Energy: 1.348186755288876 Energy: 1.0204200646889392 Energy: 1.2234456882211129 Energy: 1.4075011256093546 Energy: 1.0164770172167317 Energy: 1.0178266303727008 Energy: 1.4088823920776108 Energy: 1.0209067979349415 Energy: 1.0174818123783953 Energy: 1.5888748946552458 Energy: 1.4342611264345182 Energy: 1.4438250148875045 Energy: 1.4237570926028937 Energy: 1.3253223745298643 Energy: 1.3643638124916526 Energy: 1.412519996296714 Energy: 1.165364716387204 Energy: 1.1659177947910688 Energy: 1.4076508551672025 Energy: 1.301555402085606 Energy: 1.3423305781425454 Energy: 1.3528851562508148 Energy: 1.4484748762187059 Energy: 1.4509839812187786 Energy: 1.3528629282751363 Energy: 1.4485308782195447 Energy: 1.3734821065410157 Energy: 1.3471539093903382 Energy: 1.1807682205907457 Energy: 1.3362592772770567 Energy: 1.224447830323191 Energy: 1.3188798785211293 Energy: 1.2818818376243992 Energy: 1.4784200033434673 Energy: 1.334254307153525 Energy: 1.3467089396110727 Energy: 1.4804339973600813 Energy: 1.2614115210581032 Energy: 1.2757879114190436 Energy: 1.4837335497846382 Energy: 1.1623102829241294 Energy: 1.270797853907058 Energy: 1.616837066688932 Energy: 1.155527826526888 Energy: 1.2708211372171527 Energy: 1.5278654719981388 Energy: 1.0934095880556678 Energy: 1.1656585574988454 Energy: 1.2959032243340696 Energy: 1.0953331312553238 Energy: 1.207596890783863 Energy: 1.285643030052287 Energy: 1.3610592533857957 Energy: 1.3591955497071 Energy: 1.3834463445197132 Energy: 1.5955741777520993 Energy: 1.401437083477936 Energy: 1.0161659782834824 Energy: 1.2153405759715195 Energy: 1.048463505203298 Energy: 1.018165840976702 Energy: 1.1843299741289273 Energy: 1.012180457485857 Energy: 1.2907214043876531 Energy: 1.3059847107145548 Energy: 1.3058665222439811 Energy: 1.2610362413649352 Energy: 1.4998590830149758 Energy: 1.299201924034132 Energy: 1.2985057052900189 Energy: 1.0178353576690302 Energy: 1.2579151203867225 Energy: 1.2868942414270632 Energy: 1.081643049975709 Energy: 1.2266031224928917 Energy: 1.4160618462265473 Energy: 0.9954441335246665 Energy: 0.9994890944147521 Energy: 1.4072518630491244 Energy: 0.9996229664068352 Energy: 1.1383263176095781 Energy: 1.4083272574413683 Energy: 1.3464104645099069 Energy: 1.3639352198238792 Energy: 1.4076116063704422 Energy: 1.400403407662965 Energy: 1.3647795795919038 Energy: 1.2183746262915547 Energy: 1.1668651128021945 Energy: 1.166065896360871 Energy: 1.0942406507290756 Energy: 1.2683341953527605 Energy: 1.0964668866782423 Energy: 1.5436422724997592 Energy: 1.4536745881268462 Energy: 1.4539797279474929 Energy: 1.5454081688922028 Energy: 1.8814897087470581 Energy: 1.2724822966173113 Energy: 1.3476560718615649 Energy: 1.0931026894609561 Energy: 1.1655868101497695 Energy: 1.4487012472817764 Energy: 1.2975066448013846 Energy: 1.0926394723839132 Energy: 1.484119978379583 Energy: 1.4021366465236325 Energy: 1.3126483656510253 Energy: 1.5453414211576715 Energy: 1.3365213744004005 Energy: 1.4548952237854809 minimum gb energy = 0.9954441335246665 eV minimum distance = 2.54274193724847 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 1.8190853531401987 Energy: 1.580066525722099 Energy: 1.2716491190371895 Energy: 1.8217175983651732 Energy: 1.5908132621700644 Energy: 1.286879021672476 Energy: 1.416343654970408 Energy: 1.2905003741280998 Energy: 1.30214194461497 Energy: 1.276274177174951 Energy: 1.229346511299848 Energy: 1.2532334331887234 Energy: 1.3881011029738959 Energy: 1.2645961451206558 Energy: 1.264245765289943 Energy: 1.3902608311311595 Energy: 1.2664734431325604 Energy: 1.2641045011862075 Energy: 1.103168839126188 Energy: 1.2647413929721618 Energy: 1.2644988380041544 Energy: 1.1036631803301664 Energy: 1.3722883914290114 Energy: 1.1619421348691998 Energy: 1.1380568732501422 Energy: 1.2663765161300486 Energy: 1.2365845359354666 Energy: 1.1384881703777732 Energy: 1.1295925264385813 Energy: 1.2297665296233007 Energy: 1.5713490749542591 Energy: 0.9487204799217611 Energy: 1.0761986979912859 Energy: 1.573418809372158 Energy: 0.9632085939605574 Energy: 1.2398698508250994 Energy: 1.3661968931583341 Energy: 0.9443995415920404 Energy: 0.9443944983044774 Energy: 1.2661887769079085 Energy: 0.9505365758725718 Energy: 1.0582987727107518 Energy: 1.4964449701505558 Energy: 1.33512524000137 Energy: 1.300920130460167 Energy: 1.4988882689868592 Energy: 1.3360483862826935 Energy: 1.1976521597019805 Energy: 0.9483552920766293 Energy: 1.2694450309967928 Energy: 1.2012162550757446 Energy: 0.9504428498272998 Energy: 1.266530623052386 Energy: 0.9459384606018139 Energy: 0.9628460260241257 Energy: 1.2477932918108472 Energy: 1.247961391772197 Energy: 0.9629184781092675 Energy: 1.2484095254868914 Energy: 1.2161461056347023 Energy: 1.5779319070362943 Energy: 1.2904454965847465 Energy: 1.2220805777482382 Energy: 1.314663750681277 Energy: 1.227718952428204 Energy: 1.222766072575684 Energy: 1.3956406909413352 Energy: 1.0993850936004297 Energy: 1.0992933266175076 Energy: 1.3967048894875402 Energy: 1.1065719150649704 Energy: 1.1001069490791144 Energy: 1.4451677574203508 Energy: 1.3621116220891498 Energy: 1.3591166979379417 Energy: 1.4475020908002587 Energy: 1.4261304847448075 Energy: 1.4104612826113043 Energy: 1.359486893384406 Energy: 1.266337925805144 Energy: 1.2309406851764408 Energy: 1.3593865578769273 Energy: 1.3569357623379796 Energy: 1.310309082033489 Energy: 1.4774304212744982 Energy: 1.3710445521229435 Energy: 1.4194852619671707 Energy: 1.4783860845801602 Energy: 1.3717696694020642 Energy: 1.3558704537840776 Energy: 1.3722766831305604 Energy: 1.318591550382748 Energy: 1.2674485845832866 Energy: 1.371634238406002 Energy: 1.5409035447370802 Energy: 1.2295900462229237 Energy: 1.364829024911012 Energy: 1.4157115643884177 Energy: 1.354424787414271 Energy: 1.3649484877212124 Energy: 1.4158581092679476 Energy: 1.3429477384245962 minimum gb energy = 0.9443944983044774 eV minimum distance = 2.54908316841286 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 1.9546935767189813 Energy: 1.5112931582854126 Energy: 1.2196013577880394 Energy: 1.958239544457968 Energy: 1.5101913083083753 Energy: 1.2241757678756104 Energy: 1.5562105051434643 Energy: 1.257809323945881 Energy: 1.2078586459522156 Energy: 1.3818272559620426 Energy: 1.3168863472455956 Energy: 1.3092658452183927 Energy: 1.3388383343960053 Energy: 1.190484948318048 Energy: 1.1860130217256093 Energy: 1.3390022711671972 Energy: 1.117278718086538 Energy: 1.197809965226116 Energy: 1.1002048242190072 Energy: 1.1866243415691073 Energy: 1.1857405308034654 Energy: 1.1019507881110835 Energy: 1.1436125440574405 Energy: 1.1217828886002021 Energy: 1.1941591473817352 Energy: 1.1549961523200336 Energy: 1.1563142438066203 Energy: 1.1960735576426906 Energy: 1.3951137537447909 Energy: 1.1607899348722284 Energy: 1.7160255552991264 Energy: 0.9695698252500624 Energy: 1.0865549054027528 Energy: 1.4467856023370078 Energy: 0.9692890376869969 Energy: 1.1402168919718325 Energy: 1.311949487907824 Energy: 0.9425176568570062 Energy: 0.9334154455227374 Energy: 1.3138809853738653 Energy: 0.936491356897953 Energy: 1.0283161052973635 Energy: 1.3811414635415618 Energy: 1.1607301155327274 Energy: 1.1863348503689908 Energy: 1.38114862899743 Energy: 1.2081056878851009 Energy: 1.1839060667668186 Energy: 0.8897198767484983 Energy: 1.1599337100776494 Energy: 1.0261111562884662 Energy: 0.8913517964717931 Energy: 1.1398523882908869 Energy: 0.9020270534978072 Energy: 0.9225302901137241 Energy: 1.1159929050489041 Energy: 1.1130759976099165 Energy: 0.9361986948664922 Energy: 1.1438615061896646 Energy: 1.0879124036066035 Energy: 1.3159174295180072 Energy: 0.9357743354970112 Energy: 1.085818771859488 Energy: 1.1427768632095956 Energy: 0.9362713293615966 Energy: 1.0864601811422168 Energy: 1.1344908847519526 Energy: 0.9143472858224909 Energy: 0.9022138932222504 Energy: 1.1367296579739152 Energy: 0.9079681286562107 Energy: 1.018473708320825 Energy: 1.2723786956196246 Energy: 1.2887315536263508 Energy: 1.134056517963987 Energy: 1.1866604902878144 Energy: 1.3543714398660551 Energy: 1.146162726240204 Energy: 0.9334414575867209 Energy: 1.1801856732399556 Energy: 1.1611821298988563 Energy: 0.9335211238996804 Energy: 1.2245925993826574 Energy: 0.9334492458189687 Energy: 0.9701477016252079 Energy: 1.1472216173949858 Energy: 1.1480095649853328 Energy: 0.9697620718398329 Energy: 1.146538719413857 Energy: 1.171737515208546 Energy: 1.3764648549204628 Energy: 1.1599409066691073 Energy: 1.1524502846998181 Energy: 1.3349004208771036 Energy: 1.0999475573967574 Energy: 1.1475729603511329 Energy: 1.2124396560342767 Energy: 1.0973960431545142 Energy: 1.0980106566747347 Energy: 1.244330647377448 Energy: 1.106597716680513 Energy: 1.0980404233651853 Energy: 1.201755633591801 Energy: 1.2902659575780457 Energy: 1.2667916502016026 Energy: 1.1061451840741008 Energy: 1.3403928980379112 Energy: 1.2141661574459317 Energy: 1.3639173579116002 Energy: 1.2011354280061821 Energy: 1.409699306560922 Energy: 1.364289482682335 Energy: 1.4790855959590397 Energy: 1.3220880050204007 Energy: 1.476654109831996 Energy: 1.1901500721684564 Energy: 1.1915040566385773 Energy: 1.4765992374735568 Energy: 1.4706816174862258 Energy: 1.2617603740230272 Energy: 1.4147106726363385 Energy: 1.3324981004514531 Energy: 1.1875162844606557 Energy: 1.4144664222193593 Energy: 1.5167041641573817 Energy: 1.2691349922333621 Energy: 1.25419319209339 Energy: 1.351381716951108 Energy: 1.283079077517087 Energy: 1.231831422987097 Energy: 1.3422043890501152 Energy: 1.1970813513516694 Energy: 1.2243412371088735 Energy: 1.25673688952053 Energy: 1.2528215409376737 Energy: 1.2266085624160872 Energy: 1.2529720409392686 Energy: 1.2808092136856712 Energy: 1.3479382633844035 Energy: 1.4131818312421953 Energy: 1.2707874002604669 Energy: 1.3494712956579482 Energy: 1.2748721532546479 Energy: 1.2767970963654571 Energy: 1.098455542073008 Energy: 1.1934565954973482 Energy: 1.186373583397179 Energy: 1.0987862517767673 Energy: 1.4584358537862605 Energy: 1.1983645818029007 Energy: 1.1754087046445123 Energy: 1.196634645400698 Energy: 1.1810034237127607 Energy: 1.131838551139221 Energy: 1.1243988442734596 Energy: 1.1624709769823727 Energy: 1.4249997244269639 Energy: 1.3108575407586522 Energy: 1.2426170390790054 Energy: 1.4467800105427118 Energy: 1.3107060382039706 Energy: 1.1397859596100748 Energy: 1.2292171805506877 Energy: 0.9420499219538071 Energy: 0.9470347353631066 Energy: 1.2300715250682124 Energy: 0.9362808008796885 Energy: 0.9460359668639268 Energy: 1.4393690269584851 Energy: 1.111290647763862 Energy: 1.117906771893574 Energy: 1.396072146130934 Energy: 0.9809998424037166 Energy: 1.1378364322154872 Energy: 0.9359671640266394 Energy: 1.1609194456502536 Energy: 1.1397431462991017 Energy: 0.937306930179091 Energy: 1.20740770312753 Energy: 1.0876786986865608 Energy: 0.9084427301093775 Energy: 1.1723304282791058 Energy: 1.1457210829822533 Energy: 0.9101271165580875 Energy: 1.1593360557216776 Energy: 1.0265631527055872 Energy: 1.4594516998910927 Energy: 1.18736550159106 Energy: 1.1849682476003407 Energy: 1.4589896930131216 Energy: 1.192155427612052 Energy: 1.17996571424603 Energy: 1.2907843901891671 Energy: 0.896427364146186 Energy: 0.888493574266634 Energy: 1.2182240438132308 Energy: 0.8898382297866254 Energy: 0.8884623138395487 Energy: 1.6200052578060382 Energy: 1.0130029303788715 Energy: 1.1076165629446866 Energy: 1.6226535342369341 Energy: 1.011942957011696 Energy: 1.134029329463636 Energy: 0.9842429192245875 Energy: 1.1964038489459297 Energy: 1.1413445137851994 Energy: 0.985948217421783 Energy: 1.2237449886517069 Energy: 1.157776360798162 Energy: 0.9722729546791002 Energy: 1.163889067001662 Energy: 1.1711963741115767 Energy: 0.9740141375314493 Energy: 1.1635565398035432 Energy: 0.9627937939460148 Energy: 1.3297304490068513 Energy: 1.1509755391315837 Energy: 1.1424480052990187 Energy: 1.3303325191391326 Energy: 1.189325149692336 Energy: 1.160690712157167 Energy: 1.3903111786922766 Energy: 1.0899020339428829 Energy: 1.081935103480184 Energy: 1.1885989503379109 Energy: 1.0839518989807337 Energy: 1.0818762410269054 Energy: 1.4326774276067007 Energy: 1.3450390800183318 Energy: 1.2374659382156612 Energy: 1.4707203916217237 Energy: 1.340395264054843 Energy: 1.1705753054530008 Energy: 1.3795171495138585 Energy: 1.1796365500380483 Energy: 1.1737134635042994 Energy: 1.3668129677475815 Energy: 1.1877615045389125 Energy: 1.2920964907028856 Energy: 1.3997685085411053 Energy: 1.2313177436965876 Energy: 1.2956316650341122 Energy: 1.4014241568726995 Energy: 1.2598972673005253 Energy: 1.2908066815273744 Energy: 1.417970112814717 Energy: 1.3169441154762458 Energy: 1.18666283388284 Energy: 1.4172681382734666 Energy: 1.3681784937385788 Energy: 1.3639567902128076 Energy: 1.2739395100312578 Energy: 1.344266643440775 Energy: 1.3440126186170396 Energy: 1.2741371188192538 Energy: 1.3532928701401956 Energy: 1.280919409044951 minimum gb energy = 0.8884623138395487 eV minimum distance = 2.54223340803425 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 1.8022839345978088 Energy: 1.4489304903276776 Energy: 1.156309274934227 Energy: 1.80492435713622 Energy: 1.444434001563431 Energy: 1.1596822867484673 Energy: 1.3985943789765116 Energy: 1.19764253631245 Energy: 1.152532372455685 Energy: 1.3104830150648876 Energy: 1.186341890936405 Energy: 1.178623096913592 Energy: 1.2613292984457485 Energy: 1.129069280357192 Energy: 1.1128230027231019 Energy: 1.2641070410702986 Energy: 1.081300314082777 Energy: 1.1321929823217585 Energy: 1.0615709302911842 Energy: 1.1309684804009759 Energy: 1.1197902769605745 Energy: 1.1346563843306106 Energy: 1.1586974482481993 Energy: 1.071100992170409 Energy: 1.2032717397848154 Energy: 1.1047537485079142 Energy: 1.0961873859090756 Energy: 1.2036485913246289 Energy: 1.2409589194865835 Energy: 1.1021471513841192 Energy: 1.329189331093688 Energy: 0.9360792499129074 Energy: 1.0248987156180016 Energy: 1.36729372657716 Energy: 0.9558017739403754 Energy: 1.0757327760879039 Energy: 1.2290639450643805 Energy: 0.9179022536587512 Energy: 0.922894808526956 Energy: 1.2120319795070997 Energy: 0.9159108929545953 Energy: 1.0636065155752652 Energy: 1.2684028869081858 Energy: 1.083522005717511 Energy: 1.1036005236010207 Energy: 1.2709543825619822 Energy: 1.089550152547029 Energy: 1.11341714318046 Energy: 0.8581343647552536 Energy: 1.0727178114571037 Energy: 0.8722957385508563 Energy: 0.858542068205347 Energy: 1.1906372689990603 Energy: 0.8724537145812026 Energy: 0.9089206004098203 Energy: 1.0427796213006926 Energy: 1.0405811739248112 Energy: 0.9092201821976388 Energy: 1.0777339931613317 Energy: 1.025347198671634 Energy: 1.2621679124480012 Energy: 0.8585633217284592 Energy: 1.0050370071383543 Energy: 1.1104183994503731 Energy: 0.8739401330160218 Energy: 1.0486658963594961 Energy: 1.055379867434253 Energy: 0.8473561714048204 Energy: 0.8545190822067761 Energy: 1.0560830409082351 Energy: 0.8326216967335738 Energy: 1.0403838184498433 Energy: 1.341921310249832 Energy: 1.0826914819397855 Energy: 1.0762151711712384 Energy: 1.147073350480331 Energy: 1.2174055971893765 Energy: 1.1172217787337975 Energy: 0.8280304347674258 Energy: 1.0792376659405538 Energy: 0.8264025320233893 Energy: 0.8303799973327577 Energy: 1.166981464519431 Energy: 0.8446266110571159 Energy: 0.858029682664725 Energy: 1.0578679844151193 Energy: 1.0536203514164109 Energy: 0.8586035601549061 Energy: 1.0414674939961062 Energy: 1.0311565419918285 Energy: 1.2094799853839584 Energy: 0.8869971075029184 Energy: 1.0223939792085857 Energy: 1.1105096893983015 Energy: 0.9179543167232675 Energy: 1.020739180705508 Energy: 1.2038700797611883 Energy: 0.8853119643172944 Energy: 0.8918561442966162 Energy: 1.108594964536151 Energy: 0.8799960757158083 Energy: 0.9713858384824445 Energy: 1.0770679158043286 Energy: 1.0610431037333012 Energy: 1.0641364804387692 Energy: 1.2282330740037832 Energy: 1.2906472408968437 Energy: 1.111524897561565 Energy: 0.9098468089339405 Energy: 1.1344361135313985 Energy: 0.9088194464926612 Energy: 0.9126686557022704 Energy: 1.22500263445459 Energy: 0.9212800090624336 Energy: 1.2160310178139435 Energy: 1.0808042319514595 Energy: 1.0787894507926536 Energy: 1.211661694854701 Energy: 1.3691933628853714 Energy: 1.1094231570140236 Energy: 1.296934438874176 Energy: 1.058606333365553 Energy: 1.1637008295428266 Energy: 1.358920294678335 Energy: 1.0681791885083414 Energy: 1.0812998828568305 Energy: 1.415957418582283 Energy: 1.0722698619165068 Energy: 0.9388496282922049 Energy: 1.0905213788085744 Energy: 1.0684379342102754 Energy: 1.1082981049579914 Energy: 1.1880854696961864 Energy: 1.2165360198456507 Energy: 1.200433583133091 Energy: 1.281230325775648 Energy: 1.2640125998101517 Energy: 1.1997202692938247 Energy: 1.288213557376263 Energy: 1.283759649526248 Energy: 1.290852385326632 Energy: 1.290324365792027 Energy: 1.3628059304917137 Energy: 1.2567693034921144 Energy: 1.3812019259659272 Energy: 1.1061683580613764 Energy: 1.1050599164147095 Energy: 1.381150915819745 Energy: 1.1086446576456006 Energy: 1.1258824887650933 Energy: 1.3851861397297167 Energy: 1.1578859230722776 Energy: 1.1462972099470834 Energy: 1.33237967335651 Energy: 1.3345860076191949 Energy: 1.2388601056679958 Energy: 1.473377278621992 Energy: 1.275743063348424 Energy: 1.051860521288349 Energy: 1.5201659557946758 Energy: 1.3394813879827914 Energy: 1.1203107416644529 minimum gb energy = 0.8264025320233893 eV minimum distance = 2.54885260731068 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 1.7210940829658852 Energy: 1.1537715011942689 Energy: 1.0244701453874012 Energy: 1.7229434723143218 Energy: 1.1519790854079426 Energy: 0.9730845147567805 Energy: 1.1776243324956088 Energy: 1.0384890125179815 Energy: 1.0241366974958912 Energy: 1.1067565581306162 Energy: 1.0382758751541548 Energy: 1.016195683348346 Energy: 1.0962626490464482 Energy: 0.9371722136982917 Energy: 0.9565044096326044 Energy: 1.0955349799598633 Energy: 0.9328856697940362 Energy: 0.9464322174301331 Energy: 0.9987746128132773 Energy: 0.9558911013353337 Energy: 0.9596705085120277 Energy: 0.9996282481929492 Energy: 1.0083032697287346 Energy: 0.8714247355812265 Energy: 1.0473445364984149 Energy: 0.9037597539073108 Energy: 0.951757950217706 Energy: 1.0101528636850707 Energy: 1.0764136539716658 Energy: 0.9666125977519736 Energy: 1.252098610318097 Energy: 0.8409528827396199 Energy: 0.8086142475203021 Energy: 1.262892522088196 Energy: 0.8406526517751568 Energy: 0.9498683107928354 Energy: 1.1232300703178697 Energy: 0.8236227509395759 Energy: 0.8945000353024795 Energy: 1.050183451433248 Energy: 0.8292586502340606 Energy: 1.0197650254054773 Energy: 1.096822731221014 Energy: 0.9047280290044648 Energy: 0.9165791903665005 Energy: 1.0842724965398636 Energy: 0.9045792632662375 Energy: 0.9101380332456703 Energy: 0.7734799695322884 Energy: 0.9042541228678205 Energy: 0.782214897134888 Energy: 0.7752908924868543 Energy: 1.0224411295780973 Energy: 0.7825556911322499 Energy: 0.7967214567339636 Energy: 0.9196282143142454 Energy: 0.9008773667693782 Energy: 0.7822117758052191 Energy: 0.9378774283867991 Energy: 0.9019347502587172 Energy: 1.15540259628194 Energy: 0.7541231713214125 Energy: 0.8770606681418873 Energy: 1.2040396394342583 Energy: 0.7539570996950573 Energy: 0.8955697581992103 Energy: 1.023844214082247 Energy: 0.7343088571116326 Energy: 0.7342285926496546 Energy: 0.9979801938856275 Energy: 0.7343931973128087 Energy: 0.8972328750428352 Energy: 1.1504132560045817 Energy: 0.884126450994801 Energy: 0.911756826178724 Energy: 0.9848717862968575 Energy: 0.8847327240455553 Energy: 0.9178779786651117 Energy: 0.712800552164666 Energy: 1.0221609559997427 Energy: 0.7248321630257636 Energy: 0.7149197683397804 Energy: 0.9926359735267862 Energy: 0.7123818604897564 Energy: 0.7294520531030192 Energy: 0.8867691027486407 Energy: 0.8791396408204152 Energy: 0.7347689941137096 Energy: 0.8877877928551134 Energy: 0.9054735436715052 Energy: 0.9793582016181117 Energy: 0.7232017651220974 Energy: 0.7192135182010849 Energy: 0.9400546816948597 Energy: 0.7230323794912226 Energy: 0.8719739448456224 Energy: 0.8515650600176942 Energy: 0.7150584858187189 Energy: 0.714994414484406 Energy: 0.8528846306173963 Energy: 0.7150699850034264 Energy: 0.8687821295516025 Energy: 0.9903941800699574 Energy: 0.9385850745654376 Energy: 0.9316972159811391 Energy: 0.9927938638726377 Energy: 1.3242348659515386 Energy: 0.9490073177371765 Energy: 0.7022418817359899 Energy: 0.9786127855980066 Energy: 0.7020796338866864 Energy: 0.7038281958787063 Energy: 0.9833221203535285 Energy: 0.7021675367397809 Energy: 1.0663123946623947 Energy: 0.9365372369638338 Energy: 0.9421704885602739 Energy: 1.0137838304755982 Energy: 1.425207600029901 Energy: 0.9587541590978129 Energy: 0.8776645408172078 Energy: 0.7187056822600919 Energy: 0.7263830892149177 Energy: 0.8798638282523691 Energy: 0.7263369869080274 Energy: 0.8766266917275889 Energy: 0.8367887532136353 Energy: 0.7329582725963185 Energy: 0.7247271978793941 Energy: 1.0299040596780678 Energy: 0.7330513979682324 Energy: 0.8888166151933489 Energy: 0.7546809222761737 Energy: 0.907607917089627 Energy: 0.8760567516849448 Energy: 0.7452999389363822 Energy: 0.9066263243565681 Energy: 0.9143728037334096 Energy: 0.7349321920865568 Energy: 1.0386823482610295 Energy: 0.7467681427595158 Energy: 0.7370428719420766 Energy: 1.0055932355175827 Energy: 0.7406757902613753 Energy: 1.1052942350493162 Energy: 0.8898419048376964 Energy: 0.9019104738100786 Energy: 1.0331643468161555 Energy: 0.8902470042706649 Energy: 0.9017976149091568 Energy: 1.1215583839434198 Energy: 0.7702683429147773 Energy: 0.7700560251804331 Energy: 1.008168938682559 Energy: 0.7701503876182121 Energy: 0.927347609566012 Energy: 1.2522404455199176 Energy: 0.7887451347299296 Energy: 0.8481268714128565 Energy: 1.2633158117615602 Energy: 0.7887065079500292 Energy: 0.9082412883280493 Energy: 0.9737420185765687 Energy: 0.9282137459888037 Energy: 0.9318849713827119 Energy: 0.9647150200171624 Energy: 1.003411870992239 Energy: 0.9120550720336325 Energy: 0.8347862703378546 Energy: 0.9211761133682378 Energy: 0.8380952634135879 Energy: 0.8364433787931976 Energy: 1.0740176095925609 Energy: 0.8383424777123819 Energy: 1.0743985513449683 Energy: 0.9152885671280908 Energy: 0.9328490935323138 Energy: 1.07637254313709 Energy: 0.9150637201246494 Energy: 0.9262500937306813 Energy: 1.2238459475003087 Energy: 0.9269384091102654 Energy: 1.030934053737518 Energy: 0.960457878970949 Energy: 0.9327784167187436 Energy: 1.0624434968494085 Energy: 1.3191846292612337 Energy: 0.9386588671114071 Energy: 0.9018129657060413 Energy: 1.3307227407777438 Energy: 0.9392651637355104 Energy: 0.9689705147057649 Energy: 1.087207405248752 Energy: 0.992156645992631 Energy: 0.9820236205036881 Energy: 1.0598279013121075 Energy: 1.0994783335053755 Energy: 0.9819464491273472 Energy: 1.1431930111485913 Energy: 0.9887173660696421 Energy: 0.9865309863137279 Energy: 1.1436423368668287 Energy: 1.0379261327844556 Energy: 0.9876622733896274 Energy: 1.1564841458190593 Energy: 0.9403159224604293 Energy: 0.9865539645295853 Energy: 1.1553281169035123 Energy: 0.9268930404019364 Energy: 0.9087242093822526 Energy: 1.1799417642597385 Energy: 1.0626677353641127 Energy: 0.9903415798563406 Energy: 1.0997932441529268 Energy: 1.105203995012952 Energy: 0.9772463597391284 minimum gb energy = 0.7020796338866864 eV minimum distance = 2.56896848049796 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.26991373004046043 Energy: 0.6038367242749892 Energy: 0.07592365552439943 Energy: 0.0781444309320883 Energy: 0.6035579368627169 Energy: 0.2698096461275541 Energy: 0.5212600764356181 Energy: 0.6598800864006258 Energy: 0.46945859325303646 Energy: 0.5828737694382937 Energy: 0.469280534228371 Energy: 0.4680400820285299 Energy: 0.5204269861588515 Energy: 0.07583057168767539 Energy: 0.0759611190039908 Energy: 0.5110836974771842 Energy: 0.07582524040931399 Energy: 0.07617853950227597 Energy: 0.5082130213418775 Energy: 0.07591000728745737 Energy: 0.07541728362959131 Energy: 0.5484615116849 Energy: 0.07591890459814614 Energy: 0.12468415711874369 Energy: 0.12384038777495285 Energy: 0.5000720390057348 Energy: 0.5064151007539966 Energy: 0.1251492792355962 Energy: 0.5065564440365692 Energy: 0.5024992693282933 Energy: 0.07665571524737905 Energy: 0.4623940026892413 Energy: 0.07624966393622706 Energy: 0.0787468988812679 Energy: 0.32785963845957217 Energy: 0.07579770983399944 Energy: 0.5002226479447409 Energy: 0.46209493170196025 Energy: 0.4621864595125755 Energy: 0.37597675354713367 Energy: 0.4617696417881234 Energy: 0.4627510496440533 Energy: 0.5505867530129989 Energy: 0.0758991997432046 Energy: 0.07582043385818966 Energy: 0.5954454356985639 Energy: 0.07562894629749857 Energy: 0.07609219229685245 Energy: 0.4774747370246601 Energy: 0.0760596496620613 Energy: 0.12480665361279739 Energy: 0.5384291916709698 Energy: 0.07595434691397995 Energy: 0.12651567709270364 Energy: 0.26934125002834053 Energy: 0.5110988460535857 Energy: 0.5140710468515809 Energy: 0.07525191998779472 Energy: 0.5138382312490852 Energy: 0.702731341655916 minimum gb energy = 0.07525191998779472 eV minimum distance = 2.53599117671496 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 1.7736470569441196 Energy: 1.0955833290876689 Energy: 1.0354708343987356 Energy: 1.775813166297238 Energy: 1.09601430738406 Energy: 1.0453434127103505 Energy: 1.090655863413195 Energy: 1.036775102855842 Energy: 1.0314404106705248 Energy: 1.0525339879383036 Energy: 1.0400587798914593 Energy: 1.0663732435486954 Energy: 1.035624227969283 Energy: 1.0408708130466464 Energy: 1.0410192747228901 Energy: 1.0356334416100355 Energy: 1.0412562007854103 Energy: 0.9692630025567088 Energy: 0.9849444070696044 Energy: 1.0477778558616853 Energy: 1.0492402999897523 Energy: 0.9859980141705604 Energy: 1.009508329151773 Energy: 1.145553159019348 Energy: 0.962072115757175 Energy: 1.045139373982468 Energy: 1.0658459996810596 Energy: 0.9623058760444622 Energy: 1.0493809389746411 Energy: 1.0660301034659507 Energy: 1.7003695315515273 Energy: 1.0723340422609218 Energy: 1.0409218867890273 Energy: 1.3803370525377956 Energy: 1.0140620655753125 Energy: 1.003270295721555 Energy: 0.9503626275203741 Energy: 0.9601524475361792 Energy: 0.8879557034529704 Energy: 0.9525762496009154 Energy: 0.9859358619713591 Energy: 1.08232698200342 Energy: 0.9372896379763723 Energy: 0.9704986569381715 Energy: 0.9725444202697938 Energy: 0.9375949624864722 Energy: 0.9533761310467647 Energy: 0.9599348683566443 Energy: 1.1434302187486376 Energy: 0.9943851122150478 Energy: 1.0635280783006302 Energy: 1.1451808932865573 Energy: 0.9008995218993066 Energy: 1.041686240955785 Energy: 0.9723393261402632 Energy: 0.848296097371434 Energy: 0.8502755707435751 Energy: 0.9402794293950417 Energy: 0.8527545810497383 Energy: 0.9087317880921499 Energy: 1.363453343144523 Energy: 0.9649985873522513 Energy: 0.978281536891628 Energy: 0.9911737220539597 Energy: 0.9498164392447584 Energy: 0.9407872577668961 Energy: 0.7980706317569675 Energy: 1.0068837490436269 Energy: 0.9898573277861255 Energy: 0.7980465223477534 Energy: 1.0399701873830496 Energy: 0.8475544096158119 Energy: 0.7939475010472712 Energy: 0.9392191292123594 Energy: 0.9322957855534649 Energy: 0.7940118847929472 Energy: 0.9300634973753654 Energy: 0.9318342004576898 Energy: 1.2362878345885757 Energy: 0.960034220186814 Energy: 0.9464785170549587 Energy: 1.0388443382597239 Energy: 0.8840443318934208 Energy: 0.9403019482403688 Energy: 0.9697200298089723 Energy: 0.7601874484817136 Energy: 0.7603702942944556 Energy: 0.84830439710371 Energy: 0.7644891340937067 Energy: 0.8436082319141734 Energy: 0.8762442439470602 Energy: 0.9301440832204457 Energy: 0.9321994443443031 Energy: 0.8901401239483562 Energy: 0.8940045665008877 Energy: 0.9224582277832029 Energy: 0.7467736260412453 Energy: 0.9261540966591517 Energy: 0.9289629655243481 Energy: 0.747007936315617 Energy: 0.8929491362968809 Energy: 0.7959058103717307 Energy: 0.7451417864988165 Energy: 0.9521644490187249 Energy: 0.9560955078144145 Energy: 0.7453267773225506 Energy: 1.2953320618185298 Energy: 0.9520558869146178 Energy: 1.297885073882811 Energy: 0.8897886357902913 Energy: 0.9273038117320767 Energy: 1.0783330415924217 Energy: 0.8954787748938625 Energy: 0.9272448626143421 Energy: 0.9396937787588342 Energy: 0.740978079387055 Energy: 0.7460031919342828 Energy: 0.8412790381914906 Energy: 0.7461666903481974 Energy: 0.7962381156863373 Energy: 0.8687096423794641 Energy: 0.9660378604383739 Energy: 0.9695155592626086 Energy: 0.8906378926384181 Energy: 0.8784177924669193 Energy: 0.9678916060015883 Energy: 0.763518007399811 Energy: 0.9066509889419777 Energy: 0.9218883540196784 Energy: 0.7651978476518296 Energy: 0.9085152131436657 Energy: 0.7603843953137959 Energy: 0.7681976389137293 Energy: 1.0248152108863178 Energy: 1.0233910149291483 Energy: 0.7680862219343951 Energy: 0.9328285088930808 Energy: 0.9551957090097747 Energy: 1.4790163549814535 Energy: 0.7938814148240106 Energy: 0.9476366063535616 Energy: 1.479993413389901 Energy: 0.7936298312490676 Energy: 0.948901417100077 Energy: 0.9470550069567121 Energy: 0.7934904069458028 Energy: 0.8473736794032815 Energy: 0.9302160378621976 Energy: 0.7940200058055911 Energy: 0.8475835406534667 Energy: 0.946759082315927 Energy: 0.9737989595985836 Energy: 0.9734477779793086 Energy: 0.948678665291681 Energy: 0.9417038067199164 Energy: 1.0150080751993762 Energy: 0.850826911175236 Energy: 0.9746888170401895 Energy: 0.9787223400425199 Energy: 0.8529727461048775 Energy: 0.9023635678823616 Energy: 0.8499299817749119 Energy: 0.8186547875749268 Energy: 1.0396421514760699 Energy: 1.0426542025721077 Energy: 0.8194684384725155 Energy: 1.0564807771400142 Energy: 0.9549703472803011 Energy: 1.3851934544623639 Energy: 0.9365199652645563 Energy: 0.9904647105433929 Energy: 1.2992253107513132 Energy: 0.9364343161830156 Energy: 0.9703668509807674 Energy: 0.9859504935666334 Energy: 0.9725393039236431 Energy: 0.9922564590597446 Energy: 0.9865139756872895 Energy: 0.9790257211046844 Energy: 1.0402581144622827 Energy: 0.9553394091604254 Energy: 0.9927549783092791 Energy: 0.9926975574717779 Energy: 0.9555882238219918 Energy: 0.9695144111415278 Energy: 0.9959938009316738 Energy: 1.0449020870809749 Energy: 1.0121502352476477 Energy: 1.055283497200015 Energy: 1.0470873049225742 Energy: 1.0095380547955857 Energy: 1.0657682140785174 Energy: 1.0049310983338462 Energy: 0.9820605010059641 Energy: 0.98243683639802 Energy: 1.0305004797745179 Energy: 0.9858063889820743 Energy: 1.0879554005328864 minimum gb energy = 0.740978079387055 eV minimum distance = 2.5200503617303 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 1.6827338254854585 Energy: 1.6162688976793718 Energy: 1.1802011090917546 Energy: 1.6786644845099328 Energy: 1.6053046703810896 Energy: 1.2480817790686598 Energy: 1.2666313426919142 Energy: 1.1887405376899642 Energy: 1.1946415987858017 Energy: 1.236318906848144 Energy: 1.1906943614350665 Energy: 1.2464434430958515 Energy: 1.2110624088029136 Energy: 1.2224893338170797 Energy: 1.345283219859376 Energy: 1.212552955954599 Energy: 1.1377879686468844 Energy: 1.2480447580711813 Energy: 1.0897327460356736 Energy: 1.351772423109864 Energy: 1.3652529140507357 Energy: 1.089970366620699 Energy: 1.156265060512324 Energy: 1.3686970564678704 Energy: 1.0467510347851114 Energy: 1.2353124826668596 Energy: 1.2399996198481662 Energy: 1.0470096368003843 Energy: 1.212953064343816 Energy: 1.2573876329068423 Energy: 1.4809375061331864 Energy: 1.262129359623419 Energy: 1.2391252152991095 Energy: 1.5496563690365426 Energy: 1.280292043464572 Energy: 1.243432408066244 Energy: 1.0603635502166124 Energy: 1.1991784326981683 Energy: 1.2416347540914845 Energy: 1.0616769146638652 Energy: 1.188333330328226 Energy: 1.1449661471797496 Energy: 1.0620182011397854 Energy: 1.1350086587558512 Energy: 1.1324747864618774 Energy: 1.0637018438998243 Energy: 1.1388297763757913 Energy: 1.1863371250549488 Energy: 1.3637221460253142 Energy: 1.1791876918756896 Energy: 1.2080785690326798 Energy: 1.1987042472497316 Energy: 1.0148146404017577 Energy: 1.1963152993749282 Energy: 1.141168661083615 Energy: 0.959968157689655 Energy: 0.9542810531070239 Energy: 1.1384566709654886 Energy: 0.9559736670608855 Energy: 1.0612795267154205 Energy: 1.087666439223908 Energy: 1.1056173565673273 Energy: 1.136476684403113 Energy: 1.1251879090400778 Energy: 1.0726027612076643 Energy: 1.1374013717987093 Energy: 0.9156616100117343 Energy: 1.1798373802739708 Energy: 1.150468626654862 Energy: 0.9172495825495328 Energy: 1.2707122404486408 Energy: 0.9810518674101142 Energy: 0.9147533296832814 Energy: 1.1653959652855916 Energy: 1.1529827659403291 Energy: 0.9163237297829151 Energy: 1.4072475707640322 Energy: 1.0108265275445558 Energy: 1.0587653615048598 Energy: 1.1195242188005843 Energy: 1.111129483526643 Energy: 1.0940784099629672 Energy: 1.0463735758248514 Energy: 1.1063197374466933 Energy: 1.0947841431759113 Energy: 0.9119053855507326 Energy: 0.9198016752630794 Energy: 1.0945781351719064 Energy: 0.9075360326822103 Energy: 0.9917798098168722 Energy: 1.2278441291300561 Energy: 1.1272997595902639 Energy: 1.1245150798704626 Energy: 1.062981088026353 Energy: 1.033689381908313 Energy: 1.1537457155576978 Energy: 0.9567506552076036 Energy: 1.1142043223634033 Energy: 1.140597197709068 Energy: 0.9581710636758513 Energy: 1.1121290305143532 Energy: 1.0954304551776952 Energy: 0.9568420935130948 Energy: 1.2118658979703614 Energy: 1.2053095056494487 Energy: 0.9572423659097395 Energy: 1.2116784575461017 Energy: 1.076535416304436 Energy: 1.4782933979232322 Energy: 1.139353680087104 Energy: 1.186341200328168 Energy: 1.4324306417986366 Energy: 1.1348462413971134 Energy: 1.1631477479680319 Energy: 1.135972546717429 Energy: 1.1058670845908274 Energy: 1.1473979017148939 Energy: 1.0721918335439702 Energy: 1.0660935131857006 Energy: 1.1346967871668163 Energy: 1.2104526615668376 Energy: 1.2515107383957336 Energy: 1.2619728866723898 Energy: 1.2126890597396778 Energy: 1.1251273203561714 Energy: 1.257428937105779 Energy: 1.216277311685945 Energy: 1.1853857320716361 Energy: 1.2414665417732738 Energy: 1.2177924363766621 Energy: 1.1160324828985906 Energy: 1.190636144281442 Energy: 1.1670260937192896 Energy: 1.142427968576271 Energy: 1.1945299569776056 Energy: 1.1002944656972609 Energy: 1.1384314830340356 Energy: 1.2459111399030516 minimum gb energy = 0.9075360326822103 eV minimum distance = 2.49772141056451 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 1.8269209637690387 Energy: 1.4332153439012114 Energy: 1.5702807508655208 Energy: 1.8310067090799769 Energy: 1.4402898969359552 Energy: 1.3086433890652853 Energy: 1.3052810087927578 Energy: 1.2601187527144544 Energy: 1.2663549337507856 Energy: 1.3048854440335849 Energy: 1.2607834908126965 Energy: 1.3168640342866162 Energy: 1.3014490583482985 Energy: 1.4406047608579204 Energy: 1.4305653803754366 Energy: 1.3033407202649865 Energy: 1.4302368316622676 Energy: 1.3348670958112379 Energy: 1.148628375010119 Energy: 1.469148930856092 Energy: 1.472586760052269 Energy: 1.1504427267921868 Energy: 1.1889343558763836 Energy: 1.472201048522919 Energy: 1.0936711384776918 Energy: 1.3134057115375264 Energy: 1.3377704740958676 Energy: 1.0927405163585306 Energy: 1.3387636090042945 Energy: 1.3336765269061213 Energy: 1.6915996930774233 Energy: 1.3935942702563964 Energy: 1.4226928927338973 Energy: 1.6938971052528247 Energy: 1.39625314385533 Energy: 1.2973349447723364 Energy: 1.0935798103839571 Energy: 1.293216753556546 Energy: 1.3207130918219303 Energy: 1.0929896132071302 Energy: 1.2925008077262765 Energy: 1.2135250990225792 Energy: 1.1111704777160067 Energy: 1.2770515452924258 Energy: 1.259337627612719 Energy: 1.112973488791691 Energy: 1.2768641659662205 Energy: 1.164119031652963 Energy: 1.3143261791755954 Energy: 1.255892408436432 Energy: 1.2524866495964049 Energy: 1.3167430653608496 Energy: 1.0722681302964587 Energy: 1.2512059523664774 Energy: 1.2391004017348843 Energy: 1.0107024409196324 Energy: 1.010192511274242 Energy: 1.1797656644025583 Energy: 1.0135399260618514 Energy: 1.1397137178952745 Energy: 1.1863064298820463 Energy: 1.186179518205476 Energy: 1.218742414845111 Energy: 1.1775005703033925 Energy: 1.1320897029221917 Energy: 1.233272706078103 Energy: 1.0171698364493984 Energy: 1.277895581945564 Energy: 1.2772516320948104 Energy: 1.0189206321858626 Energy: 1.3740988116284258 Energy: 1.122654445174179 Energy: 1.018760496235698 Energy: 1.3144751016291523 Energy: 1.3044009684970148 Energy: 1.010204480200061 Energy: 1.3386634163069062 Energy: 1.1516103887681721 Energy: 1.4257096034394015 Energy: 1.1944161939907747 Energy: 1.2616365743802371 Energy: 1.4064211211500168 Energy: 1.1883600818380184 Energy: 1.2415600781340772 Energy: 1.1694562446036887 Energy: 1.1771265252533247 Energy: 1.1752849646820787 Energy: 1.1823130839738158 Energy: 1.113365423822907 Energy: 1.224032103377559 Energy: 1.2967903054205348 Energy: 1.301373110133113 Energy: 1.304196611930812 Energy: 1.2991743154675295 Energy: 1.0314666701013353 Energy: 1.252219493623202 Energy: 1.3119193601730574 Energy: 1.3152450332230508 Energy: 1.3227969180415915 Energy: 1.3051466041629423 Energy: 1.3150970679279506 Energy: 1.2545250297289627 Energy: 1.3085323595734768 Energy: 1.1991076096077036 Energy: 1.2586843682202975 Energy: 1.310457469554956 Energy: 1.2147247006580495 Energy: 1.2973732320229037 Energy: 1.82820727333305 Energy: 1.3697564973925958 Energy: 1.54312506834982 Energy: 1.830941909707408 Energy: 1.3669015777119884 Energy: 1.3326111774309546 Energy: 1.1516905683140286 Energy: 1.2597733570869527 Energy: 1.2589205132600876 Energy: 1.1517565913603123 Energy: 1.2604734563688895 Energy: 1.2586293694336992 Energy: 1.2979120068535939 Energy: 1.339063352701711 Energy: 1.339723145396988 Energy: 1.2649843119658861 Energy: 1.3087880502916205 Energy: 1.3349477354753743 Energy: 1.1902451625610022 Energy: 1.4438595912836516 Energy: 1.4500625613886344 Energy: 1.1795852497210935 Energy: 1.4689457761629139 Energy: 1.4721098556016508 Energy: 1.0930542980436495 Energy: 1.33631637766278 Energy: 1.3407608560207034 Energy: 1.0930709049009908 Energy: 1.339140130576548 Energy: 1.3339031456850696 Energy: 1.6879640130145273 Energy: 1.4184607988471145 Energy: 1.422077833897048 Energy: 1.6890089525975251 Energy: 1.3585218672659582 Energy: 1.2832224806163306 Energy: 1.0927990667933214 Energy: 1.2921110104653162 Energy: 1.3199632659650329 Energy: 1.0931050826125874 Energy: 1.2902535478982342 Energy: 1.260409734016144 Energy: 1.1079734202061724 Energy: 1.2771037937025507 Energy: 1.2853754670808544 Energy: 1.1099304901170766 Energy: 1.2765339377101508 Energy: 1.1641353088787019 Energy: 1.312001387112572 Energy: 1.2509292293633985 Energy: 1.2964508340731375 Energy: 1.185735414842117 Energy: 1.0726862499682577 Energy: 1.329332701605626 Energy: 1.317301879960756 Energy: 1.0186954548238256 Energy: 1.0153750759532905 Energy: 1.2139374485718788 Energy: 1.0118483360893074 Energy: 1.139798158053183 Energy: 1.458593047313761 Energy: 1.1958162943263615 Energy: 1.2207549632616468 Energy: 1.4576631527567312 Energy: 1.1296467795504155 Energy: 1.2355406035754906 Energy: 1.0102050468065409 Energy: 1.2778079098166835 Energy: 1.2927297719940392 Energy: 1.0101793781638766 Energy: 1.353770511458014 Energy: 1.1730160928730349 Energy: 1.013669456582211 Energy: 1.352051963562074 Energy: 1.1513956674736459 Energy: 1.015401468603945 Energy: 1.3325393118904016 Energy: 1.1148101020486194 Energy: 1.381691974892982 Energy: 1.2563344930981097 Energy: 1.2602894193233751 Energy: 1.2226645525831406 Energy: 1.1893973798731639 Energy: 1.24048644686469 Energy: 1.1698766352167298 Energy: 1.117060005812353 Energy: 1.1707888208649386 Energy: 1.1422530037660483 Energy: 1.11101142900179 Energy: 1.2300022361092564 Energy: 1.295530417146733 Energy: 1.278747820087009 Energy: 1.2095823482632926 Energy: 1.29744972234993 Energy: 1.03135929202406 Energy: 1.2107442989052843 Energy: 1.3050837934291155 Energy: 1.3153621209974473 Energy: 1.3152260312071595 Energy: 1.3049747499044932 Energy: 1.4017798126262313 Energy: 1.3135859751129508 Energy: 1.3057483093528115 Energy: 1.1991907618504667 Energy: 1.3171037462196695 Energy: 1.2957976311224715 Energy: 1.2079299249857804 Energy: 1.3171711177717373 Energy: 1.4728622223937808 Energy: 1.3697942646777652 Energy: 1.554413631554674 Energy: 1.5912628678007632 Energy: 1.3749735504150231 Energy: 1.3631423768628161 minimum gb energy = 1.0101793781638766 eV minimum distance = 2.53790470344278 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 1.6378487039732277 Energy: 1.5906284449823143 Energy: 1.6896450655501845 Energy: 1.642084430866974 Energy: 2.006067650407987 Energy: 1.6924214567305458 Energy: 1.3595747119173092 Energy: 1.326579282456628 Energy: 1.3221964144448026 Energy: 1.35491283964289 Energy: 1.3261915402302988 Energy: 1.3994130641067217 Energy: 1.271117814075123 Energy: 1.549231476513742 Energy: 1.5457635637392848 Energy: 1.4364997874952512 Energy: 1.3240543218779406 Energy: 1.4160255167157436 Energy: 1.4164285875551874 Energy: 1.5678990850363994 Energy: 1.5942747484264868 Energy: 1.4071537071811626 Energy: 1.5095158358763736 Energy: 1.3252425343869514 Energy: 1.1427401483594797 Energy: 1.4216328397393723 Energy: 1.5352797221757448 Energy: 1.1427871826061766 Energy: 1.421806914517233 Energy: 1.5419248222043382 Energy: 1.5102743008545318 Energy: 1.4749549855964472 Energy: 1.5373223195045453 Energy: 1.5120560321326098 Energy: 1.498164615714355 Energy: 1.542662645161721 Energy: 1.1437156257652135 Energy: 1.3621725798119335 Energy: 1.3892895578458826 Energy: 1.143688662576259 Energy: 1.3268985281567052 Energy: 1.294065372148556 Energy: 1.155970439275699 Energy: 1.3806314638475314 Energy: 1.3117333808113738 Energy: 1.1578247781778086 Energy: 1.522917001943034 Energy: 1.2303682213379596 Energy: 1.516565808668233 Energy: 1.377208736330037 Energy: 1.3679942965931886 Energy: 1.5180884537447792 Energy: 1.2307946612473886 Energy: 1.3697502170245115 Energy: 1.3383322026659292 Energy: 1.2422948174683666 Energy: 1.2491326245217167 Energy: 1.2823453837088667 Energy: 1.160673517339306 Energy: 1.2500080147857098 Energy: 1.4315851414440612 Energy: 1.3801413652417502 Energy: 1.377579142261607 Energy: 1.4334391924016885 Energy: 1.0982971521833027 Energy: 1.2941755264501924 Energy: 1.2711395678027018 Energy: 1.402629803287052 Energy: 1.426234572948237 Energy: 1.30601363278486 Energy: 1.5423372138011835 Energy: 1.408759022141263 Energy: 1.3537470606643682 Energy: 1.2320939804966653 Energy: 1.3779689950327254 Energy: 1.355820320203483 Energy: 1.271629243912437 Energy: 1.39792766447227 Energy: 1.7587822862817704 Energy: 1.4570295777614204 Energy: 1.6816220059020062 Energy: 1.653178951070836 Energy: 1.4420702630098272 Energy: 1.6777450449962183 minimum gb energy = 1.0982971521833027 eV minimum distance = 2.50711639273865 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 2.0298703009790087 Energy: 1.574461507578426 Energy: 1.515304627508326 Energy: 2.0321017453431836 Energy: 1.5742391160076548 Energy: 1.7393200592214317 Energy: 1.541733926100642 Energy: 1.2319944958236955 Energy: 1.2596722537438372 Energy: 1.5472908673453452 Energy: 1.2662002461791626 Energy: 1.3538674232063206 Energy: 1.7365267649415892 Energy: 1.6959902726664917 Energy: 1.679610031283358 Energy: 1.7305976390922153 Energy: 1.6985617877122854 Energy: 1.6173675298680246 Energy: 1.6450452941265614 Energy: 1.5657058942066084 Energy: 1.5117541344862606 Energy: 1.647258912123909 Energy: 1.3064851942001772 Energy: 1.5013121798141793 Energy: 1.4115586127783086 Energy: 1.3128963852056281 Energy: 1.2979997645359822 Energy: 1.3161985359639188 Energy: 1.3145312063895227 Energy: 1.4123090852711015 Energy: 1.512305261120835 Energy: 1.3331255085419216 Energy: 1.4369163870540365 Energy: 1.5076335115984063 Energy: 1.3000206947414232 Energy: 1.4387711350349481 Energy: 1.3040643845274151 Energy: 1.432047380179352 Energy: 1.4487483173511413 Energy: 1.3062600766647687 Energy: 1.4228669125278877 Energy: 1.4473954053447544 Energy: 1.2382373116962235 Energy: 1.3406917425717197 Energy: 1.3702876881637525 Energy: 1.240474335899853 Energy: 1.3084202954459758 Energy: 1.3547122055994336 Energy: 1.4994387980395991 Energy: 1.58300893470691 Energy: 1.614387947323905 Energy: 1.4990021423654376 Energy: 1.6201382490517762 Energy: 1.7456354131256835 Energy: 1.4743829572843457 Energy: 1.6250692172931431 Energy: 1.6291051682923354 Energy: 1.2540258204522983 Energy: 1.6800028820198838 Energy: 1.746057591846146 Energy: 1.372831123409161 Energy: 1.3742960598780813 Energy: 1.45124015474756 Energy: 1.3754100191462293 Energy: 1.4587614710333674 Energy: 1.3401860522168914 Energy: 1.3266366465386854 Energy: 1.8569690991774799 Energy: 1.7713508281557446 Energy: 1.3255540780030044 Energy: 1.927662850308018 Energy: 1.7747542401760934 Energy: 1.2031928869447934 Energy: 1.5050470855199718 Energy: 1.4869496010986745 Energy: 1.20326026752594 Energy: 1.6059227413761403 Energy: 1.4440125772895955 Energy: 1.725157021814003 Energy: 1.6345564363259033 Energy: 1.6314842997020889 Energy: 1.7116347948828181 Energy: 1.633830539126559 Energy: 1.6653314402931676 Energy: 1.2047240186476047 Energy: 1.3793659591525498 Energy: 1.4246943878887732 Energy: 1.2045526723494242 Energy: 1.5957119108111752 Energy: 1.428652404886993 Energy: 1.2257125071618276 Energy: 1.3636646764471143 Energy: 1.3811339797449074 Energy: 1.2282315002095512 Energy: 1.3807851988979782 Energy: 1.2904844747763486 Energy: 1.230490055805482 Energy: 1.3825436224645165 Energy: 1.4094370283917352 Energy: 1.2303009448130637 Energy: 1.3718961139007346 Energy: 1.3887809113945393 Energy: 1.6041265763019803 Energy: 1.432174116673075 Energy: 1.4318488133812974 Energy: 1.5978351931897485 Energy: 1.4411448230549921 Energy: 1.5019815443243194 Energy: 1.2452084006690909 Energy: 1.361961704555009 Energy: 1.3982770121854728 Energy: 1.2451809102922053 Energy: 1.3578353108206471 Energy: 1.3588847821945709 Energy: 1.4236479806925386 Energy: 1.7884149647141714 Energy: 1.7345805523796467 Energy: 1.4484286487078555 Energy: 1.8296960976137862 Energy: 1.508819004852626 Energy: 1.4361740535486018 Energy: 1.6178748084055246 Energy: 1.482740274458825 Energy: 1.4900160580564978 Energy: 1.2952576230324802 Energy: 1.4194655960163252 Energy: 1.2651196145387944 Energy: 1.3354858785992505 Energy: 1.391233584019405 Energy: 1.2653814348592478 Energy: 1.4039363123479558 Energy: 1.419392589423413 Energy: 1.8680223769797892 Energy: 1.4238382827457998 Energy: 1.6450387315256234 Energy: 1.8406866544342102 Energy: 1.4532729291990636 Energy: 1.6205704561316852 Energy: 1.4005591184675352 Energy: 1.2664743742425015 Energy: 1.3336744503583269 Energy: 1.4018521345297144 Energy: 1.2350065340281198 Energy: 1.391976201875872 Energy: 1.4330828071163866 Energy: 1.6247671750272183 Energy: 1.5597702894747771 Energy: 1.4401779143819522 Energy: 1.5198730496103348 Energy: 1.5569897414513394 Energy: 1.5026339331528058 Energy: 1.3446081401916963 Energy: 1.3995804478891871 Energy: 1.3760154353293168 Energy: 1.2240053624438922 Energy: 1.4097417205069032 Energy: 1.4473388447889952 Energy: 1.240293925246789 Energy: 1.240402591386039 Energy: 1.3811243917841658 Energy: 1.24311249810658 Energy: 1.331388112365225 Energy: 1.6025060587959281 Energy: 1.378839300764486 Energy: 1.4073733204624637 Energy: 1.5407511532816542 Energy: 1.2370155463749828 Energy: 1.421170071308078 Energy: 1.6270286227825574 Energy: 1.6372949456645511 Energy: 1.6164494191867236 Energy: 1.630225332152918 Energy: 1.6026960269802244 Energy: 1.5544051296647055 Energy: 1.5533179498195573 Energy: 1.219438265697681 Energy: 1.2950679710828017 Energy: 1.543053529260716 Energy: 1.2194642270617833 Energy: 1.4007722384828036 Energy: 2.0410257192395234 Energy: 1.315477763876978 Energy: 1.6724121500343447 Energy: 2.045060743435256 Energy: 1.3153127859350717 Energy: 1.5114051519455265 minimum gb energy = 1.2031928869447934 eV minimum distance = 2.50943945778111 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.8302097739574177 Energy: 1.3868421255236685 Energy: 1.6282928186222008 Energy: 1.8341982233788605 Energy: 2.114768281234597 Energy: 1.7500616571047514 Energy: 1.2484978320683309 Energy: 1.3641043525067644 Energy: 1.3775763454927596 Energy: 1.2499642811482214 Energy: 1.311593981625899 Energy: 1.3674026421830092 Energy: 1.3094152303171436 Energy: 1.529043712923323 Energy: 1.4278794974393836 Energy: 1.3096208294413252 Energy: 1.5234719873189626 Energy: 1.3671081390626643 Energy: 1.4079680667211476 Energy: 1.452717418984573 Energy: 1.3126388834032283 Energy: 1.4095305981430066 Energy: 1.7576433986333786 Energy: 1.3136056818708015 Energy: 1.327031752651127 Energy: 1.3694802257751284 Energy: 1.553810924030073 Energy: 1.2926323352596172 Energy: 1.3542735875341125 Energy: 1.5365964579411435 Energy: 1.5152718035578971 Energy: 1.5088110401007153 Energy: 1.552153911802431 Energy: 1.516634409084165 Energy: 1.5108092719058202 Energy: 1.5504345561430517 Energy: 1.325541096896695 Energy: 1.179132224660905 Energy: 1.3378555566028096 Energy: 1.327461241149381 Energy: 1.1837803655676602 Energy: 1.480811752135157 Energy: 1.3128105657561566 Energy: 1.3541205852406641 Energy: 1.426646210871207 Energy: 1.2798507367101946 Energy: 1.312411003971998 Energy: 1.3149273229544007 Energy: 1.1000461475405725 Energy: 1.3931359686278268 Energy: 1.6175346093480463 Energy: 1.3935258717861971 Energy: 1.3954968169936839 Energy: 1.6205639897579447 Energy: 1.0996297222250226 Energy: 1.4314709740927867 Energy: 1.6180887527357486 Energy: 1.2244858348328231 Energy: 1.4309661235489484 Energy: 1.6211594202749655 Energy: 1.3124839953133025 Energy: 1.4565551417055382 Energy: 1.4272415458262342 Energy: 1.2800134093098379 Energy: 1.3604174132800324 Energy: 1.3148991236821157 Energy: 1.3960771178959293 Energy: 1.5129356335715975 Energy: 1.506450732845791 Energy: 1.3346539688197234 Energy: 1.5064719301508334 Energy: 1.8792854390929519 Energy: 1.3303856861978356 Energy: 1.434440483564113 Energy: 1.4140055915198504 Energy: 1.152733969621449 Energy: 1.4289670855240761 Energy: 1.415627925169521 Energy: 1.7082955307449705 Energy: 1.3262990752257602 Energy: 1.552006468882919 Energy: 1.6520911531394045 Energy: 1.3281547767799964 Energy: 1.5554470855350135 Energy: 1.3258191750601958 Energy: 1.198763983560201 Energy: 1.4507497235993705 Energy: 1.3432022916697082 Energy: 1.444875677373866 Energy: 1.4298505138554056 Energy: 1.2942292216139806 Energy: 1.199322186777271 Energy: 1.305569870572674 Energy: 1.2960927657602415 Energy: 1.2027013759088678 Energy: 1.380286577334846 Energy: 1.099751191212423 Energy: 1.217680946644914 Energy: 1.300280277553008 Energy: 1.0999234637483044 Energy: 1.2196487200712043 Energy: 1.367843596731006 minimum gb energy = 1.0996297222250226 eV minimum distance = 2.52937870146775 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 2.0600961799991215 Energy: 2.0012177190325966 Energy: 1.7278971216748857 Energy: 2.0641012427496754 Energy: 2.1330123093040028 Energy: 1.880718610154716 Energy: 1.56859023199684 Energy: 1.532685483002724 Energy: 1.4745512685098887 Energy: 1.5667578196626872 Energy: 1.51385773391574 Energy: 1.4827398671632184 Energy: 1.5120558860576703 Energy: 1.5150739761346192 Energy: 1.5533389741260657 Energy: 1.51363356474698 Energy: 1.5207548342167108 Energy: 1.5398841589788903 Energy: 1.508014666471977 Energy: 1.4744950768412926 Energy: 1.4385032466749221 Energy: 1.5098661395522301 Energy: 1.4344069032854225 Energy: 1.4517510672577358 Energy: 1.410768376022475 Energy: 1.3624235932444337 Energy: 1.4062902251782452 Energy: 1.4108513217005538 Energy: 1.348261211730503 Energy: 1.3941750339017251 Energy: 1.3296960527531678 Energy: 1.367105787559766 Energy: 1.3404751675296298 Energy: 1.3142678444031843 Energy: 1.3560007784175478 Energy: 1.3675526638835602 Energy: 1.4875659862811734 Energy: 1.6445761103746244 Energy: 1.412585395622525 Energy: 1.4701352625882271 Energy: 1.6457115375053344 Energy: 1.4139703305128195 Energy: 1.480222727256518 Energy: 1.4147565122584118 Energy: 1.4532116542952647 Energy: 1.4815991260471 Energy: 1.511328458296938 Energy: 1.4674926845472303 Energy: 1.7738229882372205 Energy: 1.493994444958019 Energy: 1.525784696810745 Energy: 1.777665686896832 Energy: 1.564354305494386 Energy: 1.5546699565843582 Energy: 1.8050851957131504 Energy: 1.4894321021195676 Energy: 1.5307113653161373 Energy: 1.5719923889245078 Energy: 1.4840482440920284 Energy: 1.5686361220683946 Energy: 1.4232493797330381 Energy: 1.4242433850111293 Energy: 1.395158333345613 Energy: 1.4246724959315398 Energy: 1.4004807387240403 Energy: 1.3843878221684018 Energy: 1.3614958913520812 Energy: 1.433413356260844 Energy: 1.4049193919060767 Energy: 1.3603057557401976 Energy: 1.3969069399534368 Energy: 1.4304171765828988 Energy: 1.6980262106499953 Energy: 1.438603445777715 Energy: 1.4878150291983232 Energy: 1.606205450773497 Energy: 1.454689203871168 Energy: 1.6252284721492998 Energy: 1.6207720502705498 Energy: 1.5269674279556038 Energy: 1.5623200739869552 Energy: 1.6237944364415406 Energy: 1.551813610863314 Energy: 1.5483291593690804 Energy: 1.5828163089342886 Energy: 1.579448408994033 Energy: 1.5887323134816056 Energy: 1.583988545775486 Energy: 1.623537730929108 Energy: 1.5152698318704014 Energy: 1.6690316955769826 Energy: 1.7428134419890855 Energy: 1.550702111267836 Energy: 1.6692770921666962 Energy: 1.7699026931556758 Energy: 1.538535805495707 Energy: 1.5506328776970553 Energy: 1.5080054171978923 Energy: 1.5088877664271305 Energy: 1.423127641488713 Energy: 1.498584969391512 Energy: 1.5122835929421359 Energy: 1.5507222434918086 Energy: 1.4185745905240392 Energy: 1.5169725792019204 Energy: 1.5505336023023837 Energy: 1.4251667057697037 Energy: 1.5490061289350714 Energy: 1.459459854087248 Energy: 1.5229625083003175 Energy: 1.5774374765553663 Energy: 1.4611109182861974 Energy: 1.4061817691158491 Energy: 1.5772534014042499 Energy: 1.5012440528249034 Energy: 1.5163445146438461 Energy: 1.5170906789160536 Energy: 1.5017307038531351 Energy: 1.4615662706123251 Energy: 1.5080209076201654 Energy: 1.7295773550251412 Energy: 1.5320558635791472 Energy: 1.5801500656911558 Energy: 1.5048864923357916 Energy: 1.5637159800124432 Energy: 1.4263888405044451 minimum gb energy = 1.3142678444031843 eV minimum distance = 2.52613565713435 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.6767344886268418 Energy: 2.01636315402388 Energy: 1.5771901162925315 Energy: 1.6807529073683605 Energy: 1.9798742623298928 Energy: 1.6182285495635569 Energy: 1.7236160107701686 Energy: 1.6504931711634963 Energy: 1.6529806942760148 Energy: 1.725085366113349 Energy: 1.6544547647025705 Energy: 1.6458706623408568 Energy: 1.5650671996065173 Energy: 1.577422456547162 Energy: 1.5704656160393753 Energy: 1.5666456187056903 Energy: 1.3502485268485156 Energy: 1.5798694199977683 Energy: 1.712948857046072 Energy: 1.5884619738062926 Energy: 1.609834886221839 Energy: 1.678599717240457 Energy: 1.5953861318240234 Energy: 1.5881219717871446 Energy: 1.36477794783073 Energy: 1.532790364736931 Energy: 1.5570093553023885 Energy: 1.3664019891068664 Energy: 1.5330338336042786 Energy: 1.5769776889773592 Energy: 1.4422530737817105 Energy: 1.465501225069496 Energy: 1.4734775538006968 Energy: 1.4439322232683593 Energy: 1.4303448374830985 Energy: 1.4726359650248941 Energy: 1.5190079728816366 Energy: 1.4975203936794497 Energy: 1.4981206079057243 Energy: 1.5179403287577953 Energy: 1.4968170751105452 Energy: 1.4953611253660568 Energy: 1.5073941759828235 Energy: 1.5239063098934968 Energy: 1.5427733414273486 Energy: 1.5410971719171809 Energy: 1.587210242399214 Energy: 1.498026420614366 Energy: 1.685672384793242 Energy: 1.489620660601755 Energy: 1.5056342922349055 Energy: 1.601200934031267 Energy: 1.4655731305229402 Energy: 1.6466907659658176 Energy: 1.7355795290468965 Energy: 1.3882015144595774 Energy: 1.4471805918449279 Energy: 1.7244909832054132 Energy: 1.3769170271568654 Energy: 1.477196630290618 Energy: 1.5397896292331656 Energy: 1.411405375347341 Energy: 1.417210448565761 Energy: 1.5391354885440989 Energy: 1.3465961349944935 Energy: 1.516545408560269 Energy: 1.4067266416805713 Energy: 1.359778363891955 Energy: 1.3985884871877732 Energy: 1.3802151296696794 Energy: 1.3586078046296604 Energy: 1.3955328369538222 Energy: 1.3095163127430074 Energy: 1.323053433462117 Energy: 1.3822687887667922 Energy: 1.3113587029036955 Energy: 1.2871073690852843 Energy: 1.3755648204289914 Energy: 1.3047207674069163 Energy: 1.3359831819083083 Energy: 1.3959090689485056 Energy: 1.303341022269103 Energy: 1.3358914375700335 Energy: 1.3957226707682615 Energy: 1.3198546485427587 Energy: 1.4182461990010007 Energy: 1.428134411839489 Energy: 1.319764400072409 Energy: 1.418186165787247 Energy: 1.537251310172496 Energy: 1.5059060994812985 Energy: 1.5660066258115544 Energy: 1.5660145756291342 Energy: 1.467456578110059 Energy: 1.5635018340976805 Energy: 1.4274303952724046 Energy: 1.364609050950868 Energy: 1.4346298674949522 Energy: 1.4462370303123104 Energy: 1.3642688165273267 Energy: 1.4347000123826454 Energy: 1.4621420800928373 Energy: 1.398193694788525 Energy: 1.5064864453303997 Energy: 1.494132314461781 Energy: 1.4308102285349096 Energy: 1.4703807116051764 Energy: 1.5110993372077481 Energy: 1.5686939380748 Energy: 1.4881710865420268 Energy: 1.4956018991165723 Energy: 1.4840780354756893 Energy: 1.4877508535542405 Energy: 1.4948684703021167 Energy: 1.5109600845017561 Energy: 1.4882840428338162 Energy: 1.4956423095180325 Energy: 1.4934063711310723 Energy: 1.487399598272333 Energy: 1.4952790347600242 Energy: 1.6927439263638615 Energy: 1.4396895560105403 Energy: 1.4641915921976525 Energy: 1.692314672162696 Energy: 1.4448800799045458 Energy: 1.5059362328023322 Energy: 1.3584096826121994 Energy: 1.5467598780120433 Energy: 1.5969504703414636 Energy: 1.3472484489948726 Energy: 1.55034913929883 Energy: 1.618668145478851 Energy: 1.7963030414507848 Energy: 1.5742772632853075 Energy: 1.5741141696093035 Energy: 1.6157688263684276 Energy: 1.575756165405865 Energy: 1.6279583597613705 Energy: 1.6204587691408607 Energy: 1.5692267459530675 Energy: 1.5888287551394835 Energy: 1.6223169625478109 Energy: 1.6144903409503497 Energy: 1.590875248522234 Energy: 1.896679119870987 Energy: 1.6010048737978022 Energy: 1.6449903104810828 Energy: 1.6780777219624012 Energy: 1.5948313145380877 Energy: 1.5826972717587198 minimum gb energy = 1.2871073690852843 eV minimum distance = 2.51613692694642 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 1.9826476808718558 Energy: 1.6217418519621007 Energy: 1.8824890325859662 Energy: 1.9855477441903306 Energy: 2.2466942282742246 Energy: 1.9654795400609368 Energy: 1.6847785531616875 Energy: 1.5035420368768497 Energy: 1.5131542020544668 Energy: 1.7234875163582812 Energy: 1.4904674773096958 Energy: 1.4846758486080691 Energy: 1.4777887143896584 Energy: 1.4966112424253302 Energy: 1.5112808296621822 Energy: 1.4515607474865262 Energy: 1.4639499125590456 Energy: 1.5078354196079808 Energy: 1.5516160946161348 Energy: 1.506192845115396 Energy: 1.4686606251230827 Energy: 1.4869460249276165 Energy: 1.4904772000235662 Energy: 1.4673976781866616 Energy: 1.3490672340106884 Energy: 1.4844445570231704 Energy: 1.533681752742348 Energy: 1.3521045663859947 Energy: 1.483016999448188 Energy: 1.5408959818418413 Energy: 1.5630446061608079 Energy: 1.6263857169860372 Energy: 1.4716275960965763 Energy: 1.5711695113055035 Energy: 1.569485303462503 Energy: 1.4729147014636235 Energy: 1.3626623489300564 Energy: 1.7101030940057358 Energy: 1.6437719217281461 Energy: 1.3625436649172256 Energy: 1.8875395916025561 Energy: 1.5805841357098291 Energy: 1.6450279300706956 Energy: 1.5044927800796597 Energy: 1.5104491458363651 Energy: 1.4955927786770125 Energy: 1.5619858920603689 Energy: 1.519479358367302 Energy: 1.3189353592931377 Energy: 1.4382209662086662 Energy: 1.4442680028505355 Energy: 1.3195224646307446 Energy: 1.4054599712605862 Energy: 1.433029337740314 Energy: 1.3719648581754647 Energy: 1.4338987040013367 Energy: 1.4757847460284697 Energy: 1.4416020733888262 Energy: 1.4420243468518323 Energy: 1.4485661383824247 Energy: 1.5221674167144288 Energy: 1.6523262392349485 Energy: 1.6354253902200606 Energy: 1.4919314050558714 Energy: 1.6140114861756654 Energy: 1.6518342332996052 Energy: 1.5129337610997782 Energy: 1.4592705920570064 Energy: 1.4770589639424057 Energy: 1.4381704526408898 Energy: 1.4621491365688344 Energy: 1.474032434035715 Energy: 1.7871670310376582 Energy: 1.3406180881016492 Energy: 1.3306394849134382 Energy: 1.7902055770604433 Energy: 1.3326655180971168 Energy: 1.4237247665608153 Energy: 1.7529561076279456 Energy: 1.3906784702437585 Energy: 1.5029002742912707 Energy: 1.6085723520058208 Energy: 1.4006731268927488 Energy: 1.5050107464028764 Energy: 1.382802287405632 Energy: 1.3215694749484959 Energy: 1.4329651911926378 Energy: 1.3673287418689637 Energy: 1.2820599422609507 Energy: 1.4228691732855354 Energy: 1.4546783291172536 Energy: 1.3831791092272703 Energy: 1.4278079632812382 Energy: 1.4208463819175687 Energy: 1.315592494533335 Energy: 1.4509318586421767 Energy: 1.6786318484147984 Energy: 1.4024847941742442 Energy: 1.4236469823973308 Energy: 1.6804945538897675 Energy: 1.39567822238199 Energy: 1.5002138464654398 Energy: 1.7108404389688716 Energy: 1.4088155284853554 Energy: 1.4886106767910225 Energy: 1.5066911700948888 Energy: 1.4204394245832257 Energy: 1.4657312121282715 Energy: 1.3923765480757397 Energy: 1.4948029394394795 Energy: 1.5968361291503612 Energy: 1.3947293331477801 Energy: 1.4762752804700872 Energy: 1.4361515779410803 Energy: 1.4110551749962397 Energy: 1.5650329539703463 Energy: 1.6221653420777582 Energy: 1.4136035354595624 Energy: 1.5645133923533776 Energy: 1.4321220462370514 Energy: 1.2916882239077891 Energy: 1.3883403990306113 Energy: 1.4461624534449602 Energy: 1.2914830609880557 Energy: 1.3882753204366027 Energy: 1.4340746317191628 Energy: 1.3455391768425635 Energy: 1.4467090347190172 Energy: 1.4607624720901868 Energy: 1.3449239699909692 Energy: 1.415242789816356 Energy: 1.440574827152129 Energy: 1.359722819792284 Energy: 1.61291821767917 Energy: 1.5318818463420676 Energy: 1.3599458994467788 Energy: 1.6168448070383743 Energy: 1.3790975945360635 Energy: 1.454298313660537 Energy: 1.5346325589427878 Energy: 1.5260142686888731 Energy: 1.353190267262068 Energy: 1.5671440534814802 Energy: 1.3818340331700512 Energy: 1.545396437231826 Energy: 1.424061456299799 Energy: 1.4819735291976572 Energy: 1.4570194806193413 Energy: 1.441446577277101 Energy: 1.5063184372580953 Energy: 1.4604391672942805 Energy: 1.4997052001210565 Energy: 1.4740063247024968 Energy: 1.4619035109555474 Energy: 1.497461672300906 Energy: 1.5177163122977444 Energy: 1.446054705248631 Energy: 1.4005320807011978 Energy: 1.440089383710034 Energy: 1.4296882487421387 Energy: 1.3546342710167378 Energy: 1.4767889693392162 Energy: 1.5070247584406542 Energy: 1.351135653373051 Energy: 1.4345362206425256 Energy: 1.4844059276946917 Energy: 1.3510752497073528 Energy: 1.4601031408477048 Energy: 1.8501347350078918 Energy: 1.460566949734655 Energy: 1.516484200561619 Energy: 1.6022020438501678 Energy: 1.3875489372544865 Energy: 1.3929467905205233 minimum gb energy = 1.2820599422609507 eV minimum distance = 2.53130739119326 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 1.8576021949559207 Energy: 1.6182659591086828 Energy: 1.9182429727136752 Energy: 1.8602825427290188 Energy: 2.159956074262614 Energy: 1.7051160490865496 Energy: 1.6474695354665796 Energy: 1.406715673035137 Energy: 1.471505925551726 Energy: 1.6481282536805595 Energy: 1.3444412605293412 Energy: 1.445343358843615 Energy: 1.476904676952596 Energy: 1.5226218289977518 Energy: 1.5513797628249602 Energy: 1.478524577628436 Energy: 1.4766909359853626 Energy: 1.4474755982479866 Energy: 1.4342807728508937 Energy: 1.4616055725794268 Energy: 1.396973433165308 Energy: 1.4937967812323 Energy: 1.4582631625091287 Energy: 1.391203399578969 Energy: 1.2579892417857663 Energy: 1.5029286737029164 Energy: 1.6148805816191125 Energy: 1.2607730518565265 Energy: 1.5075973682359651 Energy: 1.4110863322434475 Energy: 1.402224341148168 Energy: 1.45883274565697 Energy: 1.4133002039219942 Energy: 1.4022376560114294 Energy: 1.5757307132371823 Energy: 1.4130280522670031 Energy: 1.3952800651085693 Energy: 1.8885676067827961 Energy: 1.9205804938819322 Energy: 1.3950210425765246 Energy: 1.8880130936077264 Energy: 1.7857596345534144 Energy: 1.3912483416850234 Energy: 1.4453264545836981 Energy: 1.4139860497169814 Energy: 1.479058376161496 Energy: 1.4548980175558799 Energy: 1.4712600886056453 Energy: 1.2353105410350158 Energy: 1.4693017130278758 Energy: 1.443580469242475 Energy: 1.237187434993686 Energy: 1.416528163252152 Energy: 1.3897647591406355 Energy: 1.231377578840925 Energy: 1.459150909673742 Energy: 1.4373248375541992 Energy: 1.2312469345339205 Energy: 1.4363976253792985 Energy: 1.4047142723796493 Energy: 1.5733819009180077 Energy: 1.7555708015341498 Energy: 1.7500357646924916 Energy: 1.5320607514296003 Energy: 1.7595215302905862 Energy: 1.6583495503585124 Energy: 1.4505841076358692 Energy: 1.4498831954294762 Energy: 1.4271990161103694 Energy: 1.4137624167716218 Energy: 1.4321702769920317 Energy: 1.4061400931098234 Energy: 1.5721988565990224 Energy: 1.4046097872260848 Energy: 1.4426433649004309 Energy: 1.5737361560010277 Energy: 1.4093556449957256 Energy: 1.5162166238479236 Energy: 1.7225318345347587 Energy: 1.4060061644912845 Energy: 1.4274993523541177 Energy: 1.46130665022263 Energy: 1.5764857232058174 Energy: 1.4440291481799827 Energy: 1.3847989140900099 Energy: 1.2900040467556335 Energy: 1.408643794005669 Energy: 1.3870074507831676 Energy: 1.2363445562762214 Energy: 1.4095329161095 Energy: 1.5373628719082704 Energy: 1.3075444633026465 Energy: 1.3680955927813716 Energy: 1.5367162228829028 Energy: 1.3716411133064195 Energy: 1.410596191144553 Energy: 1.8698491683586582 Energy: 1.3731840160568427 Energy: 1.3860422063465172 Energy: 1.8624560142093267 Energy: 1.3999430795405536 Energy: 1.7303932142580944 Energy: 1.45290426259368 Energy: 1.4962593645512523 Energy: 1.4347274534977448 Energy: 1.4532844559047469 Energy: 1.5127081102983202 Energy: 1.4838201320153959 Energy: 1.4782329396965945 Energy: 1.5461196985389403 Energy: 1.5818751997324347 Energy: 1.4768835436782848 Energy: 1.3076222654490517 Energy: 1.5808216091766114 Energy: 1.4933169045536117 Energy: 1.5240396457214853 Energy: 1.5572245648802279 Energy: 1.5056849238889842 Energy: 1.5314289985174112 Energy: 1.5089468481300232 Energy: 1.2612393970484568 Energy: 1.459029762792575 Energy: 1.4928822315784418 Energy: 1.2634309267465944 Energy: 1.4622418023279937 Energy: 1.4169467122397095 Energy: 1.403586982763188 Energy: 1.474420394968956 Energy: 1.444025030191493 Energy: 1.3277457560878378 Energy: 1.544869809581024 Energy: 1.4154940394576783 Energy: 1.393835929588461 Energy: 1.5522331619182186 Energy: 1.532617908045845 Energy: 1.3690166811419797 Energy: 1.6066264622430784 Energy: 1.532876913379274 Energy: 1.4632033846968973 Energy: 1.4492336883237027 Energy: 1.5796386374446636 Energy: 1.4634298447236072 Energy: 1.4882952722229437 Energy: 1.4375741360968148 Energy: 1.2309691448116116 Energy: 1.4153170431152085 Energy: 1.4110083059619534 Energy: 1.2313004422996332 Energy: 1.4658437204111003 Energy: 1.3877262168767832 Energy: 1.2307126612544836 Energy: 1.4058464187433892 Energy: 1.4515836235526 Energy: 1.2312902389024936 Energy: 1.4102134674170284 Energy: 1.4364004948074671 Energy: 1.4953099756533967 Energy: 1.6670537090243485 Energy: 1.688077746556541 Energy: 1.496961876616162 Energy: 1.6818750379553424 Energy: 1.6595066947238475 Energy: 1.4310504770195214 Energy: 1.4119076817234606 Energy: 1.4667224849877178 Energy: 1.4326267304934521 Energy: 1.6777812625120565 Energy: 1.4743551600669391 Energy: 1.481064757263777 Energy: 1.404831399437918 Energy: 1.44231225405913 Energy: 1.4786560384106806 Energy: 1.406904994597679 Energy: 1.4705766088224705 Energy: 1.5620185961139845 Energy: 1.4176506425329314 Energy: 1.425840099881187 Energy: 1.563795393074371 Energy: 1.4494145901558624 Energy: 1.4655721186680741 Energy: 1.3999452520833007 Energy: 1.2872245591657543 Energy: 1.4132542081041288 Energy: 1.3994193326117361 Energy: 1.232212266189162 Energy: 1.430519937225847 Energy: 1.5361782850743229 Energy: 1.3074674540008289 Energy: 1.3745361711117028 Energy: 1.5368134982108752 Energy: 1.3068351479338784 Energy: 1.44055769320039 Energy: 1.7515751191235558 Energy: 1.3898014910417862 Energy: 1.429280655888639 Energy: 1.751588122810005 Energy: 1.4397901601303034 Energy: 1.4538302523079127 minimum gb energy = 1.2307126612544836 eV minimum distance = 2.51852611657411 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.021443149849899774 Energy: 0.8851517020641048 Energy: 0.02339192603955356 Energy: 0.02445963165189931 Energy: 0.8870524514417266 Energy: 0.022116897270661073 Energy: 0.8018388067144663 Energy: 0.13589228466848544 Energy: 0.13342922955793443 Energy: 0.13354208641860296 Energy: 0.13308436969664217 Energy: 0.13305890725186645 Energy: 1.5487413040418805 Energy: 0.8850136351641762 Energy: 0.8829261428499569 Energy: 0.8819790398292501 Energy: 1.3790253304962634 Energy: 0.8840280495516311 Energy: 0.02249439391806068 Energy: 0.13589228466814973 Energy: 0.13342922955793443 Energy: 0.13354208641860296 Energy: 0.13308436969664217 Energy: 0.13305890725224415 minimum gb energy = 0.021443149849899774 eV minimum distance = 2.73564578984524 Angstroms sigma value = 1