Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863645769655704
cohesive_energy=4.290547130055596
mass=55.845
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-19, 6.35899099504698e-19, 6.465183262348499e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-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: 0.013185823249375074
Energy: 0.22620178147865447
Energy: 0.22533391770247596
Energy: 0.22540291423599576
Energy: 0.226743459873859
Energy: 0.013251663110292525
Energy: 0.22620178147865447
Energy: 1.106496826637259
Energy: 0.22547966194301816
Energy: 0.22535179502732122
Energy: 0.22542788380645798
Energy: 0.22541848539024675
Energy: 0.2253339177029757
Energy: 0.22547966194301816
Energy: 1.1074548333240926
Energy: 0.013444758153228627
Energy: 0.22542842641243024
Energy: 0.22553157150945638
Energy: 0.22540291423599576
Energy: 0.22535179502732122
Energy: 0.013444758153228627
Energy: 0.013336080514790889
Energy: 0.22582659631811736
Energy: 0.22540049218702915
Energy: 0.226743459873859
Energy: 0.22542788380645798
Energy: 0.2254284264114307
Energy: 0.22582659631858937
Energy: 1.106293177906539
Energy: 0.22537890321088344
Energy: 0.013251663110292525
Energy: 0.22541848539071874
Energy: 0.22553157150945638
Energy: 0.22540049218702915
Energy: 0.22537890321088344
Energy: 0.013350866241593998

minimum gb energy = 0.013185823249375074 eV
minimum distance =  2.47890835991133 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.9301641347007694
Energy: 1.2358520362598395
Energy: 1.2370213957902658
Energy: 1.2558712805544043
Energy: 1.2361086441771207
Energy: 1.2322213212791342
Energy: 1.2067378330743743
Energy: 1.2606381451929158
Energy: 1.2311442601496925
Energy: 1.2031408029982165
Energy: 1.2314897661925976
Energy: 1.2333131636860355
Energy: 1.2036308853841515
Energy: 1.232423935410805
Energy: 1.2610461752690196
Energy: 1.2466542943621797
Energy: 1.2353800551908254
Energy: 1.2355612880063072
Energy: 1.2471512326396417
Energy: 1.2306197595064328
Energy: 1.2520973077041817
Energy: 1.3088573143893496
Energy: 1.2301053325658824
Energy: 1.2324438593161027
Energy: 1.2714161275071922
Energy: 1.2304462367149642
Energy: 1.2317488648440882
Energy: 1.272712232030548
Energy: 1.2314676246222156
Energy: 1.2312132626963819
Energy: 1.249568996505588
Energy: 1.2494322556043718
Energy: 1.2508598746878412
Energy: 1.2304087636445444
Energy: 1.2502659226423032
Energy: 1.2495995966567515
Energy: 1.2485617436708871
Energy: 1.2494243263345715
Energy: 1.2506854967727827
Energy: 1.309394689567476
Energy: 1.2501394717604013
Energy: 1.2495950512966663
Energy: 1.2030011791082535
Energy: 1.2033567542880674
Energy: 1.2353199838772122
Energy: 1.208372526909689
Energy: 1.250351395793013
Energy: 1.203031828425635
Energy: 1.2000086686570695
Energy: 1.2493401888996194
Energy: 1.250223265772655
Energy: 1.254176733037556
Energy: 1.2498802627627172
Energy: 1.2623255738801313
Energy: 1.2045205242669668
Energy: 1.249416886473302
Energy: 1.2503391465979374
Energy: 1.232545865275214
Energy: 1.2501926535739951
Energy: 1.2518941319059562
Energy: 1.203775606497443
Energy: 1.2707319488290518
Energy: 1.2309301216421185
Energy: 1.2043371923082533
Energy: 1.230589778839977
Energy: 1.2034960187927446
Energy: 1.246524937827773
Energy: 1.23126653850753
Energy: 1.232506883662812
Energy: 1.2962215134217037
Energy: 1.2310564798095138
Energy: 1.2309901040157296
Energy: 1.2699035874572373
Energy: 1.2312828864641374
Energy: 1.2324779235015493
Energy: 1.2967370951342005
Energy: 1.2308938748082392
Energy: 1.2308693387654022
Energy: 1.2030695319668727
Energy: 1.2308276385948345
Energy: 1.230819527234003
Energy: 1.2067359823231874
Energy: 1.2308085323938218
Energy: 1.2335257275514042
Energy: 1.2446185451510012
Energy: 1.2300478985568022
Energy: 1.2308581329235004
Energy: 1.2329999534220846
Energy: 1.230517580864363
Energy: 1.2520163648960854
Energy: 1.250880000196083
Energy: 1.2356610909751704
Energy: 1.2320955274012584
Energy: 1.251681890701789
Energy: 1.2320124453826158
Energy: 1.236604967094013
Energy: 1.2083829582120578
Energy: 1.2310839480085183
Energy: 1.2156007743555022
Energy: 1.203846646882495
Energy: 1.2494057795842526
Energy: 1.2323456070953507
Energy: 1.2546404263977486
Energy: 1.2496502730949834
Energy: 1.249046756726997
Energy: 1.249722981102554
Energy: 1.2491407248029178
Energy: 1.2501349666574306
Energy: 1.2569046964364479
Energy: 1.2501178595635558
Energy: 1.2638222963835044
Energy: 1.2497712819709828
Energy: 1.2499323679077932
Energy: 1.249546374904618
Energy: 1.2718042585701947
Energy: 1.2507586663230497
Energy: 1.2147711333807292
Energy: 1.2583800898526731
Energy: 1.2497460451703928
Energy: 1.2318998215196961
Energy: 1.2548688410552704
Energy: 1.2499660906512173
Energy: 1.2519245444072153
Energy: 1.25195284843881
Energy: 1.249246546415121
Energy: 1.2497276655848968
Energy: 1.2026681009147728
Energy: 1.2499320999984214
Energy: 1.248971069870562
Energy: 1.2021831554138536
Energy: 1.2493817114283217
Energy: 1.2374473538462856
Energy: 1.3290571793017176
Energy: 1.2604690734910626
Energy: 1.231716168138373
Energy: 1.2553821232933202
Energy: 1.2315140156590347
Energy: 1.2327418982572456

minimum gb energy = 1.2000086686570695 eV
minimum distance =  2.24401417405969 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.3306206849207611
Energy: 1.3003253930246423
Energy: 1.3002366318232883
Energy: 1.2912709388591528
Energy: 1.299850579869105
Energy: 1.3077105790928443
Energy: 1.4013721201951308
Energy: 1.3104736904833711
Energy: 1.2946932337840762
Energy: 1.2889868227096342
Energy: 1.299681898083464
Energy: 1.313107775254415
Energy: 1.3882537662572083
Energy: 1.3104324581358218
Energy: 1.3483392581786993
Energy: 1.3265761790830197
Energy: 1.3105646287092643
Energy: 1.3113839436313124
Energy: 1.361813392061751
Energy: 1.3096515714381078
Energy: 1.3092712049563804
Energy: 1.3059302655661655
Energy: 1.309136863979817
Energy: 1.3220442927257756
Energy: 1.3843340794507435
Energy: 1.3100028117970293
Energy: 1.2866644848498947
Energy: 1.3907537323371628
Energy: 1.343106917606918
Energy: 1.3101718335234256
Energy: 1.303454194647895
Energy: 1.320251249120372
Energy: 1.320452047910783
Energy: 1.2875613610111387
Energy: 1.3215444798775176
Energy: 1.3198499277521576
Energy: 1.303172509303512
Energy: 1.3202565807089282
Energy: 1.3200756783713745
Energy: 1.3152056383472184
Energy: 1.3205892798399754
Energy: 1.3199523383308565
Energy: 1.3268822471984936
Energy: 1.2857857220820212
Energy: 1.287746658306442
Energy: 1.3342724554282788
Energy: 1.321451417859353
Energy: 1.2852785462716887
Energy: 1.3238149263939463
Energy: 1.3079112955458456
Energy: 1.310091504321084
Energy: 1.362537406710711
Energy: 1.307596155272326
Energy: 1.3262245862708595
Energy: 1.3077263591471324
Energy: 1.3067893769345953
Energy: 1.3082909493873205
Energy: 1.3422051923546743
Energy: 1.3067539989307575
Energy: 1.3031566517984186
Energy: 1.3273115971056657
Energy: 1.2838884081855038
Energy: 1.3084191120580153
Energy: 1.328753758501874
Energy: 1.3071151650112343
Energy: 1.2836129696184515
Energy: 1.3012001523963592
Energy: 1.2838239301373684
Energy: 1.28496828535077
Energy: 1.3254801448740374
Energy: 1.2841322095792835
Energy: 1.2838260587091261
Energy: 1.2917512320673497
Energy: 1.2837568708383067
Energy: 1.284616465128534
Energy: 1.272392411167742
Energy: 1.2842133883250515
Energy: 1.280292009566004
Energy: 1.30162049724787
Energy: 1.284219828258859
Energy: 1.3083089499315215
Energy: 1.328870537606002
Energy: 1.3070302574663508
Energy: 1.2843100719795708
Energy: 1.2766354937892286
Energy: 1.3119172166779052
Energy: 1.312431499930785
Energy: 1.3420928192295616
Energy: 1.3129191449430009
Energy: 1.3119110983767577
Energy: 1.3047673348981943
Energy: 1.31211985121285
Energy: 1.3147000458093945
Energy: 1.3628334617589726
Energy: 1.3132666944253715
Energy: 1.3327085628592972
Energy: 1.3006247591887776
Energy: 1.2900725628309755
Energy: 1.297223680856908
Energy: 1.3077628017243312
Energy: 1.319168553942149
Energy: 1.2895319872620625
Energy: 1.2635467389613713
Energy: 1.3182608042916992
Energy: 1.3187766343995195
Energy: 1.3648488651527317
Energy: 1.3191824736773954
Energy: 1.3119773716460872
Energy: 1.2629029779718788
Energy: 1.3184522349447398
Energy: 1.3193098579290903
Energy: 1.2973365427480115
Energy: 1.3191189682374387
Energy: 1.3109523276951762
Energy: 1.3038241208754338
Energy: 1.2968834798928381
Energy: 1.2967266646295248
Energy: 1.2895797815500583
Energy: 1.2967423025709395
Energy: 1.2982541229373867
Energy: 1.302628158523007
Energy: 1.2975582093539828
Energy: 1.2969752113288904
Energy: 1.2506303568696988
Energy: 1.2971097100959437
Energy: 1.3000746168209054
Energy: 1.3052030893348998
Energy: 1.299077361301953
Energy: 1.3004148300995837
Energy: 1.2780537077676106
Energy: 1.2995854411409522
Energy: 1.3021403674193563
Energy: 1.402064458299615
Energy: 1.3999422511551673
Energy: 1.304304243232316
Energy: 1.2976832760967703
Energy: 1.3172251213158088
Energy: 1.3468570359653813
Energy: 1.3192156571243931
Energy: 1.3138949627920133
Energy: 1.3179567117798705
Energy: 1.2891579580018335
Energy: 1.3147830646025038
Energy: 1.3088064069757284
Energy: 1.375055800433422
Energy: 1.3992915102568062
Energy: 1.3144072983567436
Energy: 1.2898471115228334
Energy: 1.314194279390607
Energy: 1.3462200506113118
Energy: 1.3035695443746427
Energy: 1.3127608060026816
Energy: 1.3177175226288744
Energy: 1.2922521470942858
Energy: 1.3183015837747394
Energy: 1.3015259245354875
Energy: 1.295965997419717
Energy: 1.3173773091080616
Energy: 1.3169089257049627
Energy: 1.289293582073497
Energy: 1.317611690463211
Energy: 1.3171861940271683
Energy: 1.3029477386559398
Energy: 1.3174846839913874
Energy: 1.284133315422604
Energy: 1.2842908678165446
Energy: 1.3190733065148472
Energy: 1.3000711770947648
Energy: 1.3757280229485342
Energy: 1.3117825623924122
Energy: 1.400599297791214
Energy: 1.321980844733558
Energy: 1.3111391111607633
Energy: 1.3122082019665968
Energy: 1.374689802812908
Energy: 1.3096250063956734
Energy: 1.3042543174885974
Energy: 1.3154565425749365
Energy: 1.3087396628621766
Energy: 1.3108551030738558
Energy: 1.3825888758385996
Energy: 1.30989509055743
Energy: 1.3134807661448866
Energy: 1.304598760700083
Energy: 1.4050522378902752
Energy: 1.3115405539242
Energy: 1.3862097567094953
Energy: 1.2854112891076663
Energy: 1.2843440954922618
Energy: 1.2850014679515573
Energy: 1.2846488107459964
Energy: 1.3939198312821557
Energy: 1.305769486962376
Energy: 1.2840300319242326
Energy: 1.2837561599503484
Energy: 1.2806321795585534
Energy: 1.2835790322314453
Energy: 1.3016672872983455
Energy: 1.383281495928224
Energy: 1.307039122630617
Energy: 1.2837255797901215
Energy: 1.2981178566742235
Energy: 1.2842220558570716
Energy: 1.307609113986262
Energy: 1.4037430682603145
Energy: 1.314970017254665
Energy: 1.3141358113851425
Energy: 1.2763692342015056
Energy: 1.314256095919543
Energy: 1.3147569659743987
Energy: 1.3756826083909484
Energy: 1.3150183446467043
Energy: 1.3142359826221277
Energy: 1.2783084027898304
Energy: 1.3142689908991105
Energy: 1.3486908699410072
Energy: 1.3839875652158873
Energy: 1.3079927217602747
Energy: 1.2586300191550095
Energy: 1.258241299729849
Energy: 1.2592150642763984
Energy: 1.3100705368963599
Energy: 1.3622019861343395
Energy: 1.3155784188958626
Energy: 1.31464389440523
Energy: 1.263402012049646
Energy: 1.3146847920729494
Energy: 1.3296728652689218
Energy: 1.3836526219342162
Energy: 1.3149878361109424
Energy: 1.3142564427723709
Energy: 1.3098819265566926
Energy: 1.3142971613409673
Energy: 1.3146154526814426
Energy: 1.4049855248715655
Energy: 1.3093581969428594
Energy: 1.286314537658023
Energy: 1.2870499249049405
Energy: 1.2866058280050674
Energy: 1.3096523043501231
Energy: 1.3528347776874257
Energy: 1.2865413026457124
Energy: 1.2862462340119847
Energy: 1.2784326127912227
Energy: 1.286036800108375
Energy: 1.3047714537037378

minimum gb energy = 1.2506303568696988 eV
minimum distance =  2.23657099762296 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.3621549569313482
Energy: 1.327786163347669
Energy: 1.3283365046666535
Energy: 1.316129100710535
Energy: 1.3277387224573514
Energy: 1.3182862028677524
Energy: 1.3913738566246854
Energy: 1.3325081262700949
Energy: 1.312224085632456
Energy: 1.3095752597480301
Energy: 1.3274601002223962
Energy: 1.312520114975599
Energy: 1.471166236345558
Energy: 1.309216554304602
Energy: 1.333487275803546
Energy: 1.3918369457421762
Energy: 1.309066203129761
Energy: 1.3094289459112873
Energy: 1.3909195102560457
Energy: 1.3090759006751906
Energy: 1.3074965341285685
Energy: 1.4101466512704868
Energy: 1.3081446803078267
Energy: 1.309397119139278
Energy: 1.404898598346673
Energy: 1.310323368443936
Energy: 1.3121367809943436
Energy: 1.313920907587638
Energy: 1.3270217459850044
Energy: 1.3132939100123189
Energy: 1.416684730365834
Energy: 1.3292030000600565
Energy: 1.309572224567305
Energy: 1.3090499180498782
Energy: 1.3287794038704621
Energy: 1.3287233811479402
Energy: 1.4034515668135399
Energy: 1.3291522069891561
Energy: 1.32916659336129
Energy: 1.522540562423556
Energy: 1.3295050276158078
Energy: 1.3289345173615361
Energy: 1.4211449197779988
Energy: 1.3166826807176675
Energy: 1.3099243010248782
Energy: 1.3090609806600828
Energy: 1.3292243429325037
Energy: 1.3162428733449554
Energy: 1.2484677388085303
Energy: 1.311543927592935
Energy: 1.3098676867143364
Energy: 1.3917048915242285
Energy: 1.3096265620541423
Energy: 1.355716247119618
Energy: 1.248365875170623
Energy: 1.3088831122544828
Energy: 1.3099488678000815
Energy: 1.309760001172786
Energy: 1.309183716740132
Energy: 1.3121535734503553
Energy: 1.3938825000817434
Energy: 1.311766423362065
Energy: 1.3122872705258015
Energy: 1.309922131067966
Energy: 1.3104208887227984
Energy: 1.3082268512757025
Energy: 1.4032865445267204
Energy: 1.308023923348683
Energy: 1.3077010346165174
Energy: 1.4096609659111374
Energy: 1.3075856422109509
Energy: 1.3080265991764775
Energy: 1.3863322877021989
Energy: 1.3082826575769955
Energy: 1.3082865910006012
Energy: 1.3085790023665747
Energy: 1.3074984992374417
Energy: 1.308195974788604
Energy: 1.4041473719238857
Energy: 1.3249230870645892
Energy: 1.3107429419540624
Energy: 1.3106173827327465
Energy: 1.3104323245141647
Energy: 1.307125234974885
Energy: 1.415406653275369
Energy: 1.3276908541110328
Energy: 1.3276176068679038
Energy: 1.316267955288293
Energy: 1.3274806333265372
Energy: 1.3275077137324474
Energy: 1.4035219948407536
Energy: 1.3275590352389446
Energy: 1.3280925823220695
Energy: 1.525685222973508
Energy: 1.327809382749777
Energy: 1.3079225931809753
Energy: 1.3913417933071597
Energy: 1.310767238518047
Energy: 1.3139576161871018
Energy: 1.309424278112126
Energy: 1.3259336596831397
Energy: 1.3265821776870186
Energy: 1.2489454050913913
Energy: 1.308401190451688
Energy: 1.308647576226412
Energy: 1.387180562041784
Energy: 1.3089176108338831
Energy: 1.3122921451743033

minimum gb energy = 1.248365875170623 eV
minimum distance =  2.24158842929018 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.153800747456436
Energy: 1.3765215011083558
Energy: 1.3395308551825098
Energy: 1.3401130717439058
Energy: 1.377980534304991
Energy: 1.3946667939891393
Energy: 1.3634435865129415
Energy: 1.3859294981222792
Energy: 1.3402512959699597
Energy: 1.319145705287429
Energy: 1.3392785446291913
Energy: 1.3858876662608224
Energy: 1.3516176707667267
Energy: 1.3845734267153227
Energy: 1.3834515415997894
Energy: 1.316714798666238
Energy: 1.3840530642349549
Energy: 1.3837043693315247
Energy: 1.5561479550969282
Energy: 1.3857895402836473
Energy: 1.3841839335110508
Energy: 1.4046599282170704
Energy: 1.384790858911427
Energy: 1.3863599988258213
Energy: 1.3517580499924013
Energy: 1.401271456579636
Energy: 1.368812150205062
Energy: 1.31866268262106
Energy: 1.4038999454335406
Energy: 1.3880785915231066
Energy: 1.4013650053833053
Energy: 1.389099120342385
Energy: 1.368590937984461
Energy: 1.3180582877171565
Energy: 1.3869793149693936
Energy: 1.3839834845519028
Energy: 1.3512847171909466
Energy: 1.4000171372605417
Energy: 1.3878360179966025
Energy: 1.3864540669340994
Energy: 1.4003085811912268
Energy: 1.3836351007464367
Energy: 1.3517044162068317
Energy: 1.386860730586152
Energy: 1.36831102039617
Energy: 1.3170869697217589
Energy: 1.387762634921505
Energy: 1.384996097461089
Energy: 1.3106992436091691
Energy: 1.3873569270549733
Energy: 1.3389238560226706
Energy: 1.3175296897386073
Energy: 1.3392230849581588
Energy: 1.3839822630943386
Energy: 1.310564255080907
Energy: 1.3390423105073688
Energy: 1.3398027699213748
Energy: 1.3415151499137978
Energy: 1.3396689271698208
Energy: 1.3853053865871663
Energy: 1.362156210699796
Energy: 1.4010332777780774
Energy: 1.3735165455066156
Energy: 1.3579022700684602
Energy: 1.394074383139447
Energy: 1.4101044250059511
Energy: 1.3508794426062818
Energy: 1.3883047738446108
Energy: 1.3890073806648184
Energy: 1.4059530127790014
Energy: 1.3887166636683939
Energy: 1.3844625813620983
Energy: 1.6565245087262455
Energy: 1.3893070645822436
Energy: 1.389096829059704
Energy: 1.4062128322346659
Energy: 1.3889790639898545
Energy: 1.3889623378888627
Energy: 1.350779662706519
Energy: 1.3877336587962725
Energy: 1.3847151510206936
Energy: 1.3524145782153014
Energy: 1.3871824377882283
Energy: 1.3521233602095333
Energy: 1.359280371091943
Energy: 1.339410967866639
Energy: 1.4051318973513485
Energy: 1.2831199760209546
Energy: 1.3750758000121959
Energy: 1.3392808846390014
Energy: 1.3170931437218476
Energy: 1.3397796346570157
Energy: 1.3664241366908927
Energy: 1.3375335425861148
Energy: 1.3393650674494568
Energy: 1.3395725877802267
Energy: 1.3121599013148575
Energy: 1.3396726873498537
Energy: 1.4013220999094518
Energy: 1.3484687223053577
Energy: 1.4010899149059024
Energy: 1.3748528740817654
Energy: 1.3461564318798145
Energy: 1.3837767938670702
Energy: 1.3852938223025542
Energy: 1.405257979929311
Energy: 1.384165996024671
Energy: 1.3839808857216576
Energy: 1.3462923599689964
Energy: 1.3836938380479973
Energy: 1.384074646864323
Energy: 1.4998219468391034
Energy: 1.3836007054068233
Energy: 1.4040924211609973
Energy: 1.306941233293413
Energy: 1.38645103753962
Energy: 1.3843136574860793
Energy: 1.3529930063081124
Energy: 1.3853230875136306
Energy: 1.344925189861705
Energy: 1.3399587750906812
Energy: 1.3841475412132322
Energy: 1.3843140596462387
Energy: 1.5555811377544164
Energy: 1.384154606309383
Energy: 1.4041355431136573
Energy: 1.3400960538093647
Energy: 1.384342482310706
Energy: 1.3858122855280581
Energy: 1.3839674687733727
Energy: 1.385747400226033
Energy: 1.382955228055897
Energy: 1.3071801742080573
Energy: 1.3704887353292503
Energy: 1.3840333701857401
Energy: 1.3632678832532261
Energy: 1.3840814424145673
Energy: 1.3399890342976026
Energy: 1.3172098098179035
Energy: 1.3391356325890054
Energy: 1.3848616223904564
Energy: 1.310759866259159
Energy: 1.3387337261386876
Energy: 1.3392562706316284
Energy: 1.357772833721298
Energy: 1.3389051022459346
Energy: 1.3875720376165113
Energy: 1.3105980835702968
Energy: 1.3390296389616474
Energy: 1.3391059544969999
Energy: 1.3494798374853103
Energy: 1.3690366645969616
Energy: 1.3882065123664447
Energy: 1.3488137914318226
Energy: 1.3893686579722266
Energy: 1.3694995863717994
Energy: 1.3494538341493258
Energy: 1.3885037925660624
Energy: 1.3887897456397766
Energy: 1.4064983632501955
Energy: 1.3888383883961197
Energy: 1.3882839819843942
Energy: 1.350735626860786
Energy: 1.3881429816475925
Energy: 1.3887603278854093
Energy: 1.388294603186968
Energy: 1.3883992108021193
Energy: 1.3850339114867292
Energy: 1.3488855263363286
Energy: 1.3839492597510847
Energy: 1.370548749042094
Energy: 1.3595917629957892
Energy: 1.3685023807598884
Energy: 1.409937920042296
Energy: 1.337093591461726
Energy: 1.3759154139126943
Energy: 1.339593622294648
Energy: 1.363119158465886
Energy: 1.339167916037692
Energy: 1.3669012029921883

minimum gb energy = 1.2831199760209546 eV
minimum distance =  2.21221022690537 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.203302413666661
Energy: 1.488931967964111
Energy: 1.4894079379133516
Energy: 1.3704418546007322
Energy: 1.4887935354195925
Energy: 1.3701079448257392
Energy: 1.5765276095307825
Energy: 1.485194636961059
Energy: 1.4872970129376208
Energy: 1.3681357993700534
Energy: 1.4867817079267818
Energy: 1.308628043150111
Energy: 1.555821016765632
Energy: 1.4511699367967894
Energy: 1.4507623168426789
Energy: 1.1774395939461293
Energy: 1.4510543579388326
Energy: 1.4513026081863991
Energy: 1.6367631193139285
Energy: 1.450682550145411
Energy: 1.4503594213638487
Energy: 1.1773918958151834
Energy: 1.4505988388347797
Energy: 1.4499861160837557
Energy: 1.6334218556632911
Energy: 1.4518618566074963
Energy: 1.3035661817991269
Energy: 1.1787574320439853
Energy: 1.3034244157944324
Energy: 1.451312385265369
Energy: 1.5548900362578388
Energy: 1.3252503309924804
Energy: 1.32615750703712
Energy: 1.180142165172192
Energy: 1.3254713658243935
Energy: 1.3252312758972837
Energy: 1.5707168840827823
Energy: 1.3238716310555134
Energy: 1.3238591986572583
Energy: 1.7310274776213006
Energy: 1.3235055361735397
Energy: 1.3248615028956268
Energy: 1.554204118493574
Energy: 1.3262121997812448
Energy: 1.3033104639173192
Energy: 1.1821323073272203
Energy: 1.3252639836527285
Energy: 1.3251246480631915
Energy: 1.6505687588722853
Energy: 1.4470763448240087
Energy: 1.1771560305476612
Energy: 1.176659938757544
Energy: 1.1772689390284392
Energy: 1.4853872018697023
Energy: 1.6475449233120116
Energy: 1.4476906516372754
Energy: 1.4478201350071112
Energy: 1.2037378378208754
Energy: 1.448307720335578
Energy: 1.447358580135262
Energy: 1.5555253192806797
Energy: 1.491687544642408
Energy: 1.4491914963149486
Energy: 1.2009164399082635
Energy: 1.448927930588018
Energy: 1.4847639254497613
Energy: 1.3698474450024474
Energy: 1.485149561429883
Energy: 1.4879584307906013
Energy: 1.367300026436813
Energy: 1.4867370789257923
Energy: 1.3256516450286595

minimum gb energy = 1.176659938757544 eV
minimum distance =  2.25911283696345 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.2545257835953776
Energy: 1.3609689075645972
Energy: 1.3587683632335523
Energy: 1.3294488550221306
Energy: 1.3606996394409787
Energy: 1.42608955953443
Energy: 1.34424840064759
Energy: 1.4917136461811922
Energy: 1.315715961247604
Energy: 1.3247801473164527
Energy: 1.3154740436655163
Energy: 1.3805405750753041
Energy: 1.3246104014555093
Energy: 1.4466969440166708
Energy: 1.4479777827071612
Energy: 1.3568131123881253
Energy: 1.4483670152443466
Energy: 1.4283037059685364
Energy: 1.2539607709767802
Energy: 1.4462453921609417
Energy: 1.4464760592991153
Energy: 1.3579463644016727
Energy: 1.446534375726307
Energy: 1.4480188814855148
Energy: 1.3577467964675756
Energy: 1.4476481387575786
Energy: 1.446877390649554
Energy: 1.3244848989304614
Energy: 1.4479367210143401
Energy: 1.4482059458701257
Energy: 1.3250875319143782
Energy: 1.3154504409280507
Energy: 1.4493635442054993
Energy: 1.3438360921064327
Energy: 1.4386899273131508
Energy: 1.315459191581278
Energy: 1.2939459961025281
Energy: 1.2910722098514447
Energy: 1.4117187791937338
Energy: 1.4332542695574932
Energy: 1.2912479321759633
Energy: 1.3164403045641746
Energy: 1.292505256386175
Energy: 1.3152103482151296
Energy: 1.489975680462525
Energy: 1.343619704961544
Energy: 1.438922875366182
Energy: 1.3154926322346658
Energy: 1.305370744016027
Energy: 1.4359608528777041
Energy: 1.4411473854512125
Energy: 1.3243850353993774
Energy: 1.489077502057934
Energy: 1.428569621532133
Energy: 1.3036026260789528
Energy: 1.4312985130897364
Energy: 1.427196635115572
Energy: 1.323392737837223
Energy: 1.426873227671889
Energy: 1.4281525683720597
Energy: 1.2955633522435124
Energy: 1.4276007466717384
Energy: 1.4256904910890742
Energy: 1.323249738030461
Energy: 1.4260720497142725
Energy: 1.4495355087149684
Energy: 1.2918050579951073
Energy: 1.4706436954184285
Energy: 1.3894542346992866
Energy: 1.364317752111298
Energy: 1.3892454128190346
Energy: 1.428389305473909
Energy: 1.3551022466450844
Energy: 1.4074875847225077
Energy: 1.4069388575823218
Energy: 1.3413197825091623
Energy: 1.4093148143228962
Energy: 1.4443828003132393
Energy: 1.291772267691173
Energy: 1.4826363689106532
Energy: 1.3908184090062556
Energy: 1.3433965600091113
Energy: 1.3887020923131772
Energy: 1.4143685138511224
Energy: 1.296971614538476
Energy: 1.5283500936425405
Energy: 1.3891382885918009
Energy: 1.342878997158141
Energy: 1.3905149250048576
Energy: 1.4092180441550457
Energy: 1.3858723773111474
Energy: 1.388985879457974
Energy: 1.3898208521005722
Energy: 1.3420159359431247
Energy: 1.3900933140992675
Energy: 1.4048709658505296
Energy: 1.2539726196920866
Energy: 1.3885953663583832
Energy: 1.388901213517751
Energy: 1.3617461862650362
Energy: 1.3887929019280967
Energy: 1.4319994678890724
Energy: 1.3316471772447762
Energy: 1.427516494369209
Energy: 1.389087485417792
Energy: 1.3246271630632167
Energy: 1.4263265206699092
Energy: 1.4171705579597318
Energy: 1.3081304203812576
Energy: 1.4426744162619962
Energy: 1.440222614864653
Energy: 1.3949431374576875
Energy: 1.4417040291633194
Energy: 1.441549211375582
Energy: 1.3046439198329243
Energy: 1.4291740560281454
Energy: 1.4278291846930353
Energy: 1.3240291147608245
Energy: 1.426398609780484
Energy: 1.4274924490459953
Energy: 1.2913576307853925
Energy: 1.3165205351294842
Energy: 1.489667114484598
Energy: 1.363413139829784
Energy: 1.4892959895520292
Energy: 1.291340675601749
Energy: 1.293722819022189
Energy: 1.316644184807706
Energy: 1.3646862249154355
Energy: 1.2507280764785786
Energy: 1.3155822034150686
Energy: 1.3168816445855747
Energy: 1.3202897244477956
Energy: 1.315424179896771
Energy: 1.4185640859062336
Energy: 1.2504174354002056
Energy: 1.3147676600249925
Energy: 1.3151871048997135
Energy: 1.3251842597680226
Energy: 1.439254256702143
Energy: 1.4486466493500858
Energy: 1.3637745280330553
Energy: 1.4493389993080696
Energy: 1.3172103486589652
Energy: 1.356754785685285
Energy: 1.4483093961893692
Energy: 1.4477817569884877
Energy: 1.3153940536141735
Energy: 1.4480995321658139
Energy: 1.4480192256937072
Energy: 1.3246541869924762
Energy: 1.4478831027856234
Energy: 1.4459446977144192
Energy: 1.2540701566519437
Energy: 1.446757346429985
Energy: 1.4484415083345519
Energy: 1.3619536398646153
Energy: 1.446901113052054
Energy: 1.3170499498153605
Energy: 1.3249169363726614
Energy: 1.3177797384775807
Energy: 1.428711081775758
Energy: 1.355093946962683
Energy: 1.3158542624483036
Energy: 1.3168685008231853
Energy: 1.3064208366448005
Energy: 1.3162299719290942
Energy: 1.3882578380784658
Energy: 1.2884940405950325
Energy: 1.3151566579736724
Energy: 1.3149591101751923
Energy: 1.290636307775781
Energy: 1.3148044322109975
Energy: 1.388758041614498
Energy: 1.3631114573695484
Energy: 1.489212828617782
Energy: 1.292010715495023
Energy: 1.2931154930963318
Energy: 1.44089566065067
Energy: 1.3896740806578025
Energy: 1.3247439787883237
Energy: 1.4259129378334352
Energy: 1.4264387334822997
Energy: 1.3052669236530166
Energy: 1.426119413002016
Energy: 1.4279743554662856
Energy: 1.3879524328165904
Energy: 1.4282972048269091
Energy: 1.4387918922861658
Energy: 1.2919349977168548
Energy: 1.4347362213934822
Energy: 1.4436270647296943
Energy: 1.3247465251392858
Energy: 1.390495322781181
Energy: 1.427780200612157
Energy: 1.2971610597229035
Energy: 1.4301543457636323
Energy: 1.389346646768345
Energy: 1.3430191797636097
Energy: 1.3900851587155434
Energy: 1.3894256846105522
Energy: 1.3208641352159631
Energy: 1.3895577564580768
Energy: 1.3886365432606393
Energy: 1.3409239638402743
Energy: 1.388864959350067
Energy: 1.388525694915124
Energy: 1.3208094721371095
Energy: 1.3886752948932264
Energy: 1.3886361424152567
Energy: 1.3392443057664019
Energy: 1.4323496990496483
Energy: 1.4309017178466177
Energy: 1.3333181310341127
Energy: 1.5284316079933844
Energy: 1.3432143295933279
Energy: 1.402162133598797
Energy: 1.3891385200237845
Energy: 1.4830617788456548
Energy: 1.254390100660794
Energy: 1.3882023141512876
Energy: 1.388828828716849
Energy: 1.341592946210194
Energy: 1.390354712044898
Energy: 1.405834700954054
Energy: 1.3209186521789131
Energy: 1.3901337857526124
Energy: 1.3893071676509496
Energy: 1.3246806546566083
Energy: 1.3900158443406887
Energy: 1.428479257915674
Energy: 1.295381026227586
Energy: 1.4276465559634175
Energy: 1.3171184246117462
Energy: 1.3543939817692514
Energy: 1.4274733050592552
Energy: 1.434620462861106
Energy: 1.2925206672172806
Energy: 1.4326170063596975
Energy: 1.4264897958265885
Energy: 1.3246810633851607
Energy: 1.4258084704197982
Energy: 1.425930687718137
Energy: 1.292985460302695
Energy: 1.4263954965000463
Energy: 1.427525907416957
Energy: 1.3642676535450753
Energy: 1.4888832707574418
Energy: 1.429420372300729
Energy: 1.293556409326072
Energy: 1.4429323006297574
Energy: 1.3900485688956763
Energy: 1.250192199003941
Energy: 1.3161290953723104
Energy: 1.3150615317748293
Energy: 1.289891720373511
Energy: 1.3153735065074592
Energy: 1.4370055387304026

minimum gb energy = 1.250192199003941 eV
minimum distance =  2.22979626587937 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.466329779824182
Energy: 1.333908889610225
Energy: 1.1922328772788644
Energy: 1.137301426860219
Energy: 1.3338087990128817
Energy: 1.396812568661488
Energy: 1.1331693723284852
Energy: 1.3889571213209897
Energy: 1.2822939369814221
Energy: 1.1320325916671716
Energy: 1.2829200230885138
Energy: 1.3787011507254088
Energy: 1.1340045288314662
Energy: 1.3893338269180702
Energy: 1.3920501354188788
Energy: 1.16976580336271
Energy: 1.3900555030531794
Energy: 1.283776221237403
Energy: 1.1297845580239643
Energy: 1.3890979518597124
Energy: 1.3894015680252452
Energy: 1.13368086853166
Energy: 1.389553531558154
Energy: 1.1293359739626259
Energy: 1.1291610101246001
Energy: 1.39008688326935
Energy: 1.3889637698395088
Energy: 1.1348794281529575
Energy: 1.3902837583558674
Energy: 1.3221640259914302
Energy: 1.1312315853303991
Energy: 1.2820714450384199
Energy: 1.3898664339284044
Energy: 1.1348431799137468
Energy: 1.2826938822058715
Energy: 1.2809876993728062
Energy: 1.1700879816537846
Energy: 1.2979240119961464
Energy: 1.2995796496952006
Energy: 1.3151805238510248
Energy: 1.2998875897008138
Energy: 1.3009700276172527
Energy: 1.134336423971829
Energy: 1.2822954417905865
Energy: 1.390163969901914
Energy: 1.2857546490165768
Energy: 1.2837096077216457
Energy: 1.2825130530747344
Energy: 1.1673374579638198
Energy: 1.3933965003919493
Energy: 1.3890513782427165
Energy: 1.136053180540018
Energy: 1.3907449560475535
Energy: 1.1674465141059849
Energy: 1.1673834259049811
Energy: 1.2842607459704452
Energy: 1.3779058485556326
Energy: 1.1269554337482233
Energy: 1.2839096270496182
Energy: 1.1679509581392862
Energy: 1.1339805288483367
Energy: 1.2834604818780395
Energy: 1.3759754849705528
Energy: 1.1267220928285375
Energy: 1.2826705417481554
Energy: 1.1345642090966164
Energy: 1.1340549885116302
Energy: 1.3949223804305155
Energy: 1.376860339061648
Energy: 1.1339029130043725
Energy: 1.3951540306161754
Energy: 1.2839927758880478
Energy: 1.169848264875476
Energy: 1.3918749748124886
Energy: 1.320334965791053
Energy: 1.2948036872047475
Energy: 1.3953922708141842
Energy: 1.39052756927024
Energy: 1.1336486834383357
Energy: 1.3954723605954809
Energy: 1.3895214843558705
Energy: 1.1287128047920076
Energy: 1.3904617157670836
Energy: 1.3952825887140274
Energy: 1.1354935721812585
Energy: 1.3951160232563078
Energy: 1.2846130334681505
Energy: 1.1356126842532401
Energy: 1.2846778897409157
Energy: 1.3773766421587081
Energy: 1.122764460782263
Energy: 1.2838389996353419
Energy: 1.2852472655689016
Energy: 1.1341568901779033
Energy: 1.2860123132742995
Energy: 1.315404121402359
Energy: 1.122755639307927
Energy: 1.2818444439343204
Energy: 1.2829390604831552
Energy: 1.1679166570309356
Energy: 1.2824775974214295
Energy: 1.3772083568957372
Energy: 1.1335592222709456
Energy: 1.4007714296966374
Energy: 1.299099746056385
Energy: 1.166282792235737
Energy: 1.3966530167948492
Energy: 1.3765221435919142
Energy: 1.126080634525153
Energy: 1.3760391700421155
Energy: 1.2826808178918334
Energy: 1.1678230873847784
Energy: 1.2827877911225198
Energy: 1.394611960232984

minimum gb energy = 1.122755639307927 eV
minimum distance =  2.23730835527335 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.4662893889299935
Energy: 1.2375723983876579
Energy: 1.1101189892082959
Energy: 1.110902550720211
Energy: 1.2370341596190342
Energy: 1.0635378597655043
Energy: 1.053143677657618
Energy: 1.3162973231228443
Energy: 1.1758682241428275
Energy: 1.0509119627261567
Energy: 1.174136396345568
Energy: 1.3383585405747234
Energy: 1.0544727747556888
Energy: 1.3123175729947236
Energy: 1.3158091731602088
Energy: 1.0519962112284162
Energy: 1.3147975974796053
Energy: 1.339108914588293
Energy: 1.1610758337022657
Energy: 1.3120384348633238
Energy: 1.3158133014491256
Energy: 1.1756578113435103
Energy: 1.3147433599405989
Energy: 1.3364792483430514
Energy: 1.044580719392562
Energy: 1.311366933070027
Energy: 1.3151506193454632
Energy: 1.0521861519257374
Energy: 1.3154829948312525
Energy: 1.3358716264604356
Energy: 1.0498854464844303
Energy: 1.3115622076538762
Energy: 1.3172995770148543
Energy: 1.0531074152467146
Energy: 1.311885181890918
Energy: 1.3154958143694504
Energy: 1.051808533958266
Energy: 1.2238866774916777
Energy: 1.3150972564277992
Energy: 1.221388190008782
Energy: 1.3161009808330693
Energy: 1.2252307656316435
Energy: 1.0471664002613779
Energy: 1.3118258669567695
Energy: 1.3103514419247257
Energy: 1.0701814843317168
Energy: 1.3113065609600114
Energy: 1.3125869256953835
Energy: 1.0525687630091747
Energy: 1.1746784680333093
Energy: 1.3362617297536066
Energy: 1.1753411624513028
Energy: 1.3166159731502212
Energy: 1.1778337780195902
Energy: 1.0529514757197689
Energy: 1.1757378800164762
Energy: 1.1748118341911578
Energy: 1.2217685380652108
Energy: 1.1753869519708797
Energy: 1.1780950718743703
Energy: 1.0709554860271535
Energy: 1.1749068673559677
Energy: 1.1736482294060722
Energy: 1.0470791702082163
Energy: 1.173699662869614
Energy: 1.1764267285389451
Energy: 1.0658018770774655
Energy: 1.1765549319577295
Energy: 1.3356713438357404
Energy: 1.2759853893011077
Energy: 1.2943616817681456
Energy: 1.0687272941105306
Energy: 1.0703870658612185
Energy: 1.1743778142459091
Energy: 1.3109311518751567
Energy: 1.0624334644512068
Energy: 1.1742281284872926
Energy: 1.0707583374863352
Energy: 1.0511457014619718
Energy: 1.211701204255364
Energy: 1.2785829473657566
Energy: 1.3398611536962393
Energy: 1.1771428549504481
Energy: 1.051429263470001
Energy: 1.051194138965119
Energy: 1.1746497671700016
Energy: 1.340000731980493
Energy: 1.1777977394333283
Energy: 1.3182155474508297
Energy: 1.1747179165840023
Energy: 1.055545444357413
Energy: 1.316507600882781
Energy: 1.3114321058694833
Energy: 1.2237167096982653
Energy: 1.3112039686705097
Energy: 1.3154724715488602
Energy: 1.0532596774210794
Energy: 1.3163014579891048
Energy: 1.3402652173031067
Energy: 1.3365655987314098
Energy: 1.3152686531536244
Energy: 1.2260080763731374
Energy: 1.0511066312160773
Energy: 1.3142998702295718
Energy: 1.3104848049832154
Energy: 1.0465978977407944
Energy: 1.3120248861448394
Energy: 1.3172502801357873
Energy: 1.0545910618878342
Energy: 1.3121932480231737
Energy: 1.3154309441115188
Energy: 1.0528080543653084
Energy: 1.311917586861821
Energy: 1.3151173196931392
Energy: 1.0483354496261337
Energy: 1.3160883057239674
Energy: 1.2238085688898555
Energy: 1.0515376001892518
Energy: 1.315304131468469
Energy: 1.3125766666770078
Energy: 1.0530956371244455
Energy: 1.310921321374792
Energy: 1.3145999482380666
Energy: 1.0477253023707416
Energy: 1.313934180321796
Energy: 1.3384230108312665
Energy: 1.0529460297116897
Energy: 1.3179375051665894
Energy: 1.1765582608318728
Energy: 1.052559368087528
Energy: 1.174161468254917
Energy: 1.3376721678775296
Energy: 1.046109514742764
Energy: 1.1774638476419867
Energy: 1.178705374146217
Energy: 1.0530325455536462
Energy: 1.1785474908496614
Energy: 1.3154941770118596
Energy: 1.0464883640379499
Energy: 1.1734015066073171
Energy: 1.174895095570464
Energy: 1.07110645869693
Energy: 1.1735371365839629
Energy: 1.3106091930972945
Energy: 1.0501908541106602
Energy: 1.3178694949161405
Energy: 1.0681592707322232
Energy: 1.066567887243369
Energy: 1.2921669976374754
Energy: 1.3357628551421952
Energy: 1.0450257125381532
Energy: 1.174728164183396
Energy: 1.1774955935547966
Energy: 1.072050694198502
Energy: 1.1749373363752698
Energy: 1.2747300136262796

minimum gb energy = 1.044580719392562 eV
minimum distance =  2.21177029689957 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8338162140491545
Energy: 0.984425339012639
Energy: 1.0297866539979048
Energy: 1.0296150927751069
Energy: 0.9844771037185911
Energy: 1.255840027884468
Energy: 0.9642814113312678
Energy: 1.2432788775965848
Energy: 1.0733076882613917
Energy: 1.080989612075164
Energy: 1.0733417835852683
Energy: 1.2390933079307627
Energy: 0.9634626657941737
Energy: 1.2009207792785268
Energy: 1.2100174994680908
Energy: 1.0747540900196955
Energy: 1.2002813782701796
Energy: 1.2432750076143846
Energy: 1.1909637749584985
Energy: 1.2013162312204517
Energy: 1.2112818950217812
Energy: 1.0747411578666808
Energy: 1.1996182474503028
Energy: 1.226080165647201
Energy: 1.191245085886592
Energy: 1.1998001205217022
Energy: 1.2078961440550036
Energy: 1.075365997000907
Energy: 1.2000065695409454
Energy: 1.225317119221317
Energy: 0.9628963601407446
Energy: 1.2383450861866254
Energy: 1.2003878693018206
Energy: 1.2430260425365012
Energy: 1.2404516241682109
Energy: 1.2357213055679892
Energy: 0.9640049776262917
Energy: 1.2408278165860975
Energy: 1.2381918649079013
Energy: 1.2377311501236794
Energy: 1.2391936793228793
Energy: 1.2104835695928795
Energy: 1.1924194340377212
Energy: 1.239350141536902
Energy: 1.2408353942402977
Energy: 1.1992902301013977
Energy: 1.2419449878766742
Energy: 1.2288384986717993
Energy: 0.9637594462896257
Energy: 1.2008589524859445
Energy: 1.2398690336034328
Energy: 1.2280232099268311
Energy: 1.2415348330717415
Energy: 1.199806238142722
Energy: 1.0810828695806038
Energy: 1.1988408357398492
Energy: 1.2018548955268138
Energy: 1.2008944327496784
Energy: 1.1987107031638708
Energy: 1.1354716436297376
Energy: 1.0820295564973128
Energy: 1.2024774470443174
Energy: 1.1991696000227503
Energy: 1.2019938982514413
Energy: 1.199360331970161
Energy: 1.148729417038967
Energy: 1.082436900308281
Energy: 1.1371500826603251
Energy: 1.2437041673170834
Energy: 1.227065523135847
Energy: 1.1985785318488182
Energy: 1.1391541934339338
Energy: 1.0786769616043528
Energy: 1.073017607530505
Energy: 1.1406711700114744
Energy: 1.236269412042395
Energy: 1.0731352001216572
Energy: 1.0732889324734225
Energy: 0.9832402458881494
Energy: 0.9841010487201276
Energy: 1.2017804512872283
Energy: 1.1996221138407297
Energy: 1.0725784256612352
Energy: 0.9833696270348568
Energy: 0.9850583025156507
Energy: 1.0733265650152508
Energy: 1.2429163641993197
Energy: 1.226429578070024
Energy: 0.9838494523056165
Energy: 1.073547508607437
Energy: 0.9845437276628359
Energy: 1.0739686216252369
Energy: 1.200605079745406
Energy: 1.227311497963702
Energy: 0.9841427320689264
Energy: 0.9844459941595599
Energy: 0.9830021671040713
Energy: 0.9846700979455902
Energy: 1.1625092083491817
Energy: 1.228593156933655
Energy: 1.075062314564221
Energy: 0.9837993713230341
Energy: 1.0796862349132101
Energy: 1.073568732869185
Energy: 1.1986212635719236
Energy: 1.245049421255964
Energy: 1.0728295743238672
Energy: 0.984349282707133
Energy: 1.0825835481399335
Energy: 1.199457082966855
Energy: 1.245096162628949
Energy: 1.2274988333291452
Energy: 1.198851706755211
Energy: 0.9831700777673632
Energy: 1.0812259015062702
Energy: 1.2017057539037748
Energy: 1.1990562243791485
Energy: 1.2251087593840764
Energy: 1.199156690841418
Energy: 1.2023759937526786
Energy: 1.0806363611557015
Energy: 1.1990016880253758
Energy: 1.2247081432315385
Energy: 1.2274659167858901
Energy: 1.198928424986614
Energy: 1.135161417939024
Energy: 1.1985809527943259
Energy: 1.20050824708133
Energy: 1.2401934710696423
Energy: 1.231590039365903
Energy: 1.2413630879207094
Energy: 1.1996306663127978
Energy: 1.0795333441582504
Energy: 1.2379242101614096
Energy: 1.2408522790572118
Energy: 1.1989336948803804
Energy: 1.2422192940066108
Energy: 1.235967294416763
Energy: 1.0797998922861969
Energy: 1.2410220574953745
Energy: 1.236721923394198
Energy: 1.2461857832491043
Energy: 1.2392776207394343
Energy: 1.240777575801598
Energy: 0.9641166890848072
Energy: 1.237824912806414
Energy: 1.1994354006147916
Energy: 1.2440669511292586
Energy: 1.2403034914381204
Energy: 1.235587016923613
Energy: 1.0770532844659866
Energy: 1.1994430504822224
Energy: 1.2001538795144433
Energy: 1.1874937823499643
Energy: 1.2000697443881585
Energy: 1.1991061036731008
Energy: 1.0766782785824325
Energy: 1.2015745368332644
Energy: 1.1377319401215977
Energy: 0.9838298762123827
Energy: 1.1997212615369435
Energy: 1.2012245691406045
Energy: 0.9643275267539324
Energy: 1.2008102292152942
Energy: 1.1515447390744848
Energy: 0.9835805006141368
Energy: 1.2007231810084205
Energy: 1.2428112253460841
Energy: 0.961380402366018
Energy: 1.2162062759265786
Energy: 1.0729086622755242
Energy: 1.0812914991738136
Energy: 1.0728546307929683
Energy: 1.2395323922054347
Energy: 1.0770606513813072
Energy: 0.984033393268369
Energy: 0.9628063890072144
Energy: 0.9633493063856439
Energy: 0.9854619820862587
Energy: 1.0675761421595
Energy: 0.9618623038114846
Energy: 0.9854747437231663
Energy: 1.0726812837559998
Energy: 0.9833462133963148
Energy: 1.0724866374959654
Energy: 1.2385948690359323
Energy: 0.9643393950067362
Energy: 1.199506373758957
Energy: 0.9853551132168288
Energy: 0.984278696323409
Energy: 1.1784623949907935
Energy: 1.2442452184026216
Energy: 1.1893183455182905
Energy: 1.0737756959144857
Energy: 0.986209989252553
Energy: 0.9852226058946352
Energy: 1.0755976426057623
Energy: 1.1596088940060134

minimum gb energy = 0.961380402366018 eV
minimum distance =  2.20413012838204 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.7453143480285405
Energy: 0.8640643364361691
Energy: 0.9231832898056896
Energy: 0.9250908155993363
Energy: 0.8650873858636368
Energy: 0.8756197326994517
Energy: 1.593229787179071
Energy: 0.991762346166749
Energy: 0.9330878803881868
Energy: 0.9366427683875889
Energy: 0.9325896206135811
Energy: 1.0438528320108116
Energy: 1.6379754523089463
Energy: 1.0814024454987647
Energy: 1.0453808502220159
Energy: 0.8654765633965719
Energy: 0.9877457553265286
Energy: 1.0867704883101361
Energy: 1.6243875034187327
Energy: 0.9909013590828356
Energy: 0.9829281937667012
Energy: 0.8656910779300919
Energy: 0.986585945395015
Energy: 1.0738453757481732
Energy: 1.6246265438899339
Energy: 1.043854702964356
Energy: 0.9870038855634382
Energy: 1.0607371280163171
Energy: 1.0444765683435053
Energy: 1.0725660043338545
Energy: 1.6373028279859245
Energy: 1.0864326946924738
Energy: 0.9933967643710658
Energy: 1.0606680379512765
Energy: 1.0902533314279432
Energy: 1.09291241678829
Energy: 1.4659493667619978
Energy: 1.0844009069667697
Energy: 1.0850119296266987
Energy: 1.0870592181705672
Energy: 1.0844328893421145
Energy: 1.0890287960573206
Energy: 1.3311945571762267
Energy: 1.0876401758590881
Energy: 0.9815786948192586
Energy: 0.9918149377048533
Energy: 1.0604890596406877
Energy: 1.0908963109292913
Energy: 1.4650710290430247
Energy: 1.0990129217893385
Energy: 1.0864829907997628
Energy: 1.0847253054363186
Energy: 1.0863342446502358
Energy: 1.0968270790974166
Energy: 1.483242542395924
Energy: 1.094826435559365
Energy: 1.0938874969217187
Energy: 1.0948749115106322
Energy: 1.0947938715367844
Energy: 1.0946295841575957
Energy: 1.3355490715380582
Energy: 1.0938105127988658
Energy: 1.0944940847282354
Energy: 1.0894657740769025
Energy: 1.0945543813868566
Energy: 1.0935511178633162
Energy: 1.3345992665789137
Energy: 1.0943724104606516
Energy: 1.0933422801506372
Energy: 1.0931595289120857
Energy: 1.0942413552897623
Energy: 1.0955828142940338
Energy: 1.4905031925085217
Energy: 1.0855098446437874
Energy: 1.0853364457623587
Energy: 1.0971993074173467
Energy: 1.0847617465616157
Energy: 1.0856657126608507
Energy: 1.1790223786992318
Energy: 1.0891277499879402
Energy: 1.0865617163179768
Energy: 1.094055947748666
Energy: 1.086428137894421
Energy: 0.993664412810379
Energy: 1.0197261162785547
Energy: 1.0848174025194175
Energy: 1.0953998399805815
Energy: 1.0945819667066035
Energy: 1.084487515453244
Energy: 1.0852097508415075
Energy: 1.178972935882164
Energy: 1.0439279512040365
Energy: 1.0891400502127981
Energy: 1.0941809794992068
Energy: 0.9973025654569981
Energy: 1.0428019080618425
Energy: 0.9392081118646075
Energy: 0.9831287428790805
Energy: 1.0857917608159302
Energy: 1.0851616164103806
Energy: 0.9873544468695514
Energy: 0.8645501168545872
Energy: 0.9382229272933859
Energy: 1.0445504532903556
Energy: 1.0426332340846654
Energy: 1.0983878454969611
Energy: 1.0427972144039113
Energy: 0.9866857969443233
Energy: 0.9388015985891633
Energy: 0.9812144208730418
Energy: 1.0937828308762265
Energy: 1.093195637632055
Energy: 0.9851507307182676
Energy: 0.8659970692149653
Energy: 0.938143895022571
Energy: 0.9329916213776502
Energy: 0.8669006816833268
Energy: 1.104836518466042
Energy: 0.933552339213345
Energy: 0.8666398284257812
Energy: 0.8617673916877794
Energy: 0.8677678815284502
Energy: 0.9856377464451083
Energy: 1.0868573863232371
Energy: 0.86548568708037
Energy: 0.8635754226623542
Energy: 0.8657992761757694
Energy: 0.9331544307238105
Energy: 1.0817730412209183
Energy: 1.0927128118923404
Energy: 0.8633922300693634
Energy: 0.9337868923687112
Energy: 0.8662051278068931
Energy: 0.932877160045786
Energy: 0.9911625504808438
Energy: 1.095322238632456
Energy: 1.0444003261772143
Energy: 0.8664701198585626
Energy: 0.8628029971579295
Energy: 0.8636979244976933
Energy: 1.0771328536787919
Energy: 1.074772778827625
Energy: 0.8660106999024028
Energy: 0.8638126711435948
Energy: 0.9353858789722683
Energy: 0.9333721421700213
Energy: 0.9920710771703308
Energy: 1.095432651453499
Energy: 0.9326972724965024
Energy: 0.9369069504815059
Energy: 0.9374408353107881
Energy: 0.9856660914098425
Energy: 1.0819829489137318
Energy: 1.0934320382556437
Energy: 0.9894304411521944
Energy: 0.8656524347724386
Energy: 0.9372518433555403
Energy: 1.0456723194061648
Energy: 1.0435915867713843
Energy: 1.100113150343149
Energy: 1.0439703860418086
Energy: 0.9833771567527675
Energy: 1.1802152935936079
Energy: 0.9856419400368149
Energy: 1.0750680461659399
Energy: 1.0953775386970033
Energy: 0.9874672443077686
Energy: 0.982930884923241
Energy: 1.1807877332220498
Energy: 0.991045833621242
Energy: 1.08751128638168
Energy: 1.0933226730921894
Energy: 1.0881837589404413
Energy: 0.990991656190615
Energy: 1.1788314997754363
Energy: 1.0910642836012863
Energy: 1.0867116847322584
Energy: 1.095861825933515
Energy: 1.0911130259903148
Energy: 1.0845028145259306
Energy: 1.1790633255045835
Energy: 1.0906048821125716
Energy: 1.0915103297988886
Energy: 1.091473221374459
Energy: 1.0883392027786205
Energy: 0.9901907840615022
Energy: 1.4198701682208197
Energy: 1.0845413179869106
Energy: 1.0979419605618086
Energy: 1.0965522898701685
Energy: 1.0850539787369435
Energy: 1.0846717601961857
Energy: 1.475128464379105
Energy: 1.0941249700662916
Energy: 1.093643045400924
Energy: 1.0941962881213154
Energy: 1.094115355312389
Energy: 1.0937859660282963
Energy: 1.474949411741495
Energy: 1.0939955444957392
Energy: 1.093799143424991
Energy: 1.0764962235170237
Energy: 1.0944723392836773
Energy: 1.0939764242784165
Energy: 1.4210143012909138
Energy: 1.094213224038613
Energy: 1.0938353791761324
Energy: 1.0735477429862343
Energy: 1.0947138150374767
Energy: 1.0937234117367285
Energy: 1.4654320107017238
Energy: 1.086909506463248
Energy: 1.0852690256644857
Energy: 1.0851446351128249
Energy: 1.0849906201254484
Energy: 1.0990153253660955
Energy: 1.481049523189868
Energy: 1.0880135548831558
Energy: 0.9934058114936286
Energy: 0.9912850001402072
Energy: 1.092123129896512
Energy: 1.093870337625055
Energy: 1.465265126257833
Energy: 1.0895370275631113
Energy: 1.0910288176661314
Energy: 1.0756398413255626
Energy: 1.0904755976243095
Energy: 1.0998048498456932
Energy: 1.464597620455453
Energy: 1.0879543136010077
Energy: 0.9903975431114306
Energy: 1.0602727775769822
Energy: 0.991010079510778
Energy: 1.0867379529823884
Energy: 1.620586735315023
Energy: 1.0444234221397404
Energy: 0.9846048666618149
Energy: 0.9387090027035626
Energy: 0.9857131010626553
Energy: 1.0846895104027352
Energy: 1.6204805725297173
Energy: 1.0433981329471205
Energy: 0.985134663590557
Energy: 0.8642248595183735
Energy: 1.0448747893625652
Energy: 1.0430715992660449
Energy: 1.6017487924731442
Energy: 1.0813117298052606
Energy: 0.9824836988472372
Energy: 0.8663740476353382
Energy: 0.9857852610856297
Energy: 1.0864750318133125
Energy: 1.6272874581698673
Energy: 0.868115127309367
Energy: 0.9330303974478191
Energy: 0.9372315072775004
Energy: 0.9330788809893996
Energy: 0.9909225569640336
Energy: 1.4765771382396125
Energy: 0.8647255661425597
Energy: 0.8637869702288056
Energy: 0.8627972340879829
Energy: 0.8668504388159611
Energy: 1.086840752230212
Energy: 1.4658896525507985
Energy: 1.0439030041493325
Energy: 0.9326875466285249
Energy: 0.8673600957468544
Energy: 0.9325255897366348
Energy: 1.0819159106038387
Energy: 1.465315902781315
Energy: 1.0436404750690003
Energy: 0.9336110246793758
Energy: 0.8667213029817962
Energy: 0.9341523650620143
Energy: 1.0817510964786559
Energy: 1.628084226991499
Energy: 0.8655399991653168
Energy: 0.8634791880686634
Energy: 0.8620166011393208
Energy: 0.8668697840075401
Energy: 1.076385941469421

minimum gb energy = 0.8617673916877794 eV
minimum distance =  2.24756890803323 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.2549467080937306
Energy: 0.4933959650089353
Energy: 0.40451004613236496
Energy: 0.4054849254870421
Energy: 0.49280140140588613
Energy: 0.2552178333095447
Energy: 1.4002274730400985
Energy: 0.40149483729812285
Energy: 0.4024240594892137
Energy: 0.40325560918339265
Energy: 0.4009857648451898
Energy: 0.40181198179341887
Energy: 1.400412933098966
Energy: 0.40512133845733456
Energy: 0.4056136014234963
Energy: 0.4093855128727546
Energy: 0.40458070895108383
Energy: 0.404995197528063
Energy: 0.2605351155796808
Energy: 0.4077250448871067
Energy: 0.40707277144049453
Energy: 0.40605637694429725
Energy: 0.4065818778886686
Energy: 0.25981871097821996
Energy: 0.2614168274116506
Energy: 0.4087797116005645
Energy: 0.40923461597792044
Energy: 0.4097972057689289
Energy: 0.40797457248248603
Energy: 0.2612357438038498
Energy: 1.400898493851795
Energy: 0.4059931746912137
Energy: 0.40527834747845465
Energy: 0.40494496428106946
Energy: 0.4049359112162366
Energy: 0.40607784829197746
Energy: 0.25742340656128526
Energy: 0.40274355128179656
Energy: 0.40352219336917194
Energy: 0.4087247216278436
Energy: 0.4024425816732525
Energy: 0.4028474846726987

minimum gb energy = 0.2549467080937306 eV
minimum distance =  2.43519101734021 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.6471641079250665
Energy: 0.84241150090242
Energy: 0.8401220123062262
Energy: 0.9743893535267283
Energy: 1.0541572524622125
Energy: 1.0685355375990264
Energy: 1.322525237876977
Energy: 0.9576234335101175
Energy: 0.8389655999689702
Energy: 0.8387600427785518
Energy: 0.8388692757092805
Energy: 0.9601168535918204
Energy: 1.294091360004535
Energy: 0.8392805947623216
Energy: 0.8391219718046576
Energy: 0.8386905221093228
Energy: 0.8382533260397043
Energy: 0.8415647332992727
Energy: 1.45681027332994
Energy: 0.8398239951918525
Energy: 0.8394731817005939
Energy: 0.8404479945682489
Energy: 0.8396230709604384
Energy: 1.0368086936449612
Energy: 1.456407347396181
Energy: 0.8404208183803125
Energy: 0.8391145266410364
Energy: 0.8398463425269131
Energy: 0.8388584078252505
Energy: 1.0363110366104724
Energy: 1.2986430211796125
Energy: 0.8401810811981282
Energy: 0.8387772476166193
Energy: 0.8413477111488721
Energy: 0.8415083503091286
Energy: 1.066708013118717
Energy: 1.7745758632157254
Energy: 0.9590234622725398
Energy: 0.8397515012993576
Energy: 0.8413373448939151
Energy: 0.9251892564711403
Energy: 0.9591636057471468
Energy: 1.2946901384454423
Energy: 0.9618259476532723
Energy: 1.0422838472600584
Energy: 0.9547989240857971
Energy: 1.0390606442524593
Energy: 1.0898383765248192
Energy: 1.3230753365380705
Energy: 0.8393506281308644
Energy: 0.8392273180382375
Energy: 0.8417427176067942
Energy: 0.839471281797524
Energy: 0.926173137442752
Energy: 1.2952004621695796
Energy: 1.0792026406718287
Energy: 1.0388909183878743
Energy: 0.8489399480682015
Energy: 1.0376999723868303
Energy: 1.0577327393252474
Energy: 1.3231400634157306
Energy: 1.0775275086779603
Energy: 1.0797991402589864
Energy: 1.058605493386294
Energy: 1.0779042078675822
Energy: 1.0778752174455433
Energy: 1.3216377190588053
Energy: 1.0768651525048492
Energy: 1.077616829343747
Energy: 0.9636103606920875
Energy: 1.0781038601175912
Energy: 1.0764778432622055
Energy: 1.2936679387015202
Energy: 1.077069326723098
Energy: 1.0792786860498873
Energy: 1.0168931591111694
Energy: 1.0796337772743911
Energy: 1.095902856576618
Energy: 1.3226224320410052
Energy: 1.089469483658671
Energy: 1.0777554315562736
Energy: 1.0784220019624762
Energy: 1.0931231156617016
Energy: 1.0881557419598114
Energy: 1.2926767718709296
Energy: 1.0914056774445144
Energy: 1.0898759533893705
Energy: 1.077151699715595
Energy: 1.0903573099334067
Energy: 1.090236657701676
Energy: 1.324543457221343
Energy: 1.0967035037733277
Energy: 1.0901438255715672
Energy: 1.0701409405659883
Energy: 1.0958063484457874
Energy: 1.0910656940969945
Energy: 1.4335178517402007
Energy: 1.0848905681043517
Energy: 1.088503567397113
Energy: 1.0877662530531262
Energy: 1.0906337129830672
Energy: 1.078174536880558
Energy: 1.293226965808661
Energy: 1.0797534419134338
Energy: 1.076933815328305
Energy: 1.0991662272687097
Energy: 1.077997044021326
Energy: 1.060005398062246
Energy: 1.2950545268452274
Energy: 1.0765520433151328
Energy: 1.0765902752678074
Energy: 1.0935280979452109
Energy: 1.0769262986280201
Energy: 1.0795199764402763
Energy: 1.1673426357845924
Energy: 1.075855894136112
Energy: 1.0769890224770284
Energy: 1.093852950608222
Energy: 1.0771069668320223
Energy: 0.9627606949158429
Energy: 1.1638597657009384
Energy: 1.0375476836229736
Energy: 1.0578445430298566
Energy: 1.112420430447687
Energy: 1.0380539303924476
Energy: 1.0379181951198826
Energy: 1.1631730376242886
Energy: 0.8402749291404186
Energy: 0.8418403256763403
Energy: 1.086333498695923
Energy: 0.8418844818128515
Energy: 0.8395765650291842
Energy: 0.9532206622058291
Energy: 1.0383652631251756
Energy: 1.0657792779187731
Energy: 1.0872649394229947
Energy: 1.0390914254889687
Energy: 0.9665794631259766
Energy: 0.9337736261676022
Energy: 0.8402532029051014
Energy: 0.8426559200510855
Energy: 1.0850220354060345
Energy: 0.9577487685734525
Energy: 0.8400559211071146
Energy: 0.9582865402335822
Energy: 0.8409707086938967
Energy: 0.840764018617324
Energy: 1.0876709560379103
Energy: 0.8412867598097246
Energy: 0.8398074760760178
Energy: 0.9373566805890817
Energy: 0.8390257223927132
Energy: 0.8469927785975664
Energy: 1.063255799400237
Energy: 0.8395674159177179
Energy: 0.838907308118298
Energy: 0.8390292828943746
Energy: 0.8394305575744233
Energy: 0.8442437906682732
Energy: 1.0622352076641803
Energy: 0.8391847477568195
Energy: 0.839717624830651
Energy: 0.8382182018244454
Energy: 0.8408815392138619
Energy: 0.839586129722021
Energy: 1.0880682362228122
Energy: 0.8399263936488923
Energy: 0.838985521440982
Energy: 0.8387265681660284
Energy: 0.8390194783272539
Energy: 0.9585893598102543
Energy: 1.0564252391224898
Energy: 0.8403303031430173
Energy: 0.8387597903562543
Energy: 0.8428782196072089
Energy: 0.9230477366759744
Energy: 1.0390932909795618
Energy: 1.0906317950719886
Energy: 0.9229651645528599
Energy: 0.9240821770082428
Energy: 0.9529814253691745
Energy: 0.8397566505053873
Energy: 0.841829238091237
Energy: 1.0784227335091914
Energy: 0.8408343352858622
Energy: 0.8397782786518603
Energy: 0.936219417125749
Energy: 0.9225053315293847
Energy: 0.8403562392523438
Energy: 1.1122848264367802
Energy: 0.924231082912366
Energy: 0.8394339260116193
Energy: 0.9418220890493993
Energy: 0.9607233611489258
Energy: 0.9615099960786411
Energy: 1.0853423743866795
Energy: 0.9615867421301103
Energy: 0.8486568699293578
Energy: 1.164569395571595
Energy: 0.9605513748993706
Energy: 0.9620609705390237
Energy: 1.0754994434609975
Energy: 0.9605263182249534
Energy: 1.038386278282207
Energy: 1.1650322210438946
Energy: 0.9609349751508617
Energy: 1.0383847291709367
Energy: 1.0910461881521072
Energy: 0.9598557649285067
Energy: 0.8400876498119587
Energy: 1.164112952691681
Energy: 1.0394896274784458
Energy: 1.0768531694172963
Energy: 1.0568256990570002
Energy: 1.0770474554754168
Energy: 1.0460467061289713
Energy: 1.162319787600534
Energy: 1.079932288279805
Energy: 1.0790581687469352
Energy: 1.0781625480667152
Energy: 1.0785610831859929
Energy: 1.0781707714249487
Energy: 1.2939335779757262
Energy: 1.0828560941407592
Energy: 1.058540666258537
Energy: 1.0864393132593029
Energy: 1.079919835310788
Energy: 1.045397560154454
Energy: 1.2979443091866147
Energy: 1.078171984802559
Energy: 1.0900796864112068
Energy: 1.0903001255303562
Energy: 1.0965324309721367
Energy: 1.0797873238580789
Energy: 1.293211838322349
Energy: 1.0889534966949053
Energy: 1.0904164627835762
Energy: 0.9644809459020228
Energy: 1.09213155694307
Energy: 1.0880943299360022
Energy: 1.28845882644816
Energy: 1.089359279344999
Energy: 1.0882422485105725
Energy: 1.0914090343105205
Energy: 1.089298417956703
Energy: 1.0882995719518145
Energy: 1.2888156948498564
Energy: 1.0902921089013822
Energy: 1.088949202640116
Energy: 1.0811294902343858
Energy: 1.0908669924060614
Energy: 1.0885758999789972
Energy: 1.2980896279711491
Energy: 1.0920554982452133
Energy: 1.0778508495124302
Energy: 1.038176093280482
Energy: 1.0776960240016722
Energy: 1.0918878106656558
Energy: 1.4872209680053827
Energy: 1.0786202188305407
Energy: 1.0807307259280354
Energy: 0.965101516789025
Energy: 1.0812358181706387
Energy: 1.0579771394941646
Energy: 1.3766605654969837
Energy: 1.0790904158290104
Energy: 1.0844327712613646
Energy: 1.0601304648001593
Energy: 1.0847039839402435
Energy: 1.0884537605649396
Energy: 1.4878347299359078
Energy: 1.0775908922634703
Energy: 1.0433399194134636
Energy: 0.8476493982097454
Energy: 1.0390681922954572
Energy: 1.0777751438585956
Energy: 1.2940534775585368
Energy: 0.8407734148986985
Energy: 0.8394032466553525
Energy: 0.9262760597144115
Energy: 0.8403589342120068
Energy: 1.0644108303317945
Energy: 1.3499639661570173
Energy: 0.9611096768111347
Energy: 1.0389003119144482
Energy: 0.9409108999704696
Energy: 1.037372247885869
Energy: 1.06309159497829
Energy: 1.3529646897083696
Energy: 0.9608843617424861
Energy: 0.9330374549454407
Energy: 0.9397170765100745
Energy: 0.9595976844863386
Energy: 1.0622787762136017
Energy: 1.2932625920453513
Energy: 0.8418603762510766
Energy: 0.8390736876932761
Energy: 0.8403177834180964
Energy: 0.8391555320594946
Energy: 0.8402023048627419
Energy: 1.9221940586108686
Energy: 0.9578161042248169
Energy: 0.8387949130079536
Energy: 0.8413131292471707
Energy: 0.8411577836442364
Energy: 0.9596926601514877

minimum gb energy = 0.8382182018244454 eV
minimum distance =  2.27532809003691 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.2200932048892528
Energy: 0.9374274220345206
Energy: 0.9304635351152983
Energy: 1.0802522915478165
Energy: 0.9319310093441538
Energy: 1.2345422976474267
Energy: 1.2395744905748165
Energy: 0.9327998716063111
Energy: 0.9269431537883163
Energy: 0.9277693669245387
Energy: 0.9268971752703347
Energy: 0.9327582806043119
Energy: 1.2198418255903394
Energy: 0.9278552709272545
Energy: 0.9280142961415895
Energy: 0.9284331114152905
Energy: 0.9280254716588681
Energy: 0.9291780208142796
Energy: 1.2389099171143718
Energy: 0.9306453247070554
Energy: 0.9287543254174839
Energy: 0.9300510129430796
Energy: 0.9289927719049289
Energy: 1.1960603852525202
Energy: 1.2390974429595343
Energy: 0.9301958979898888
Energy: 0.9291612762892738
Energy: 0.9300429848841588
Energy: 0.9292750777946596
Energy: 0.9302553992485931
Energy: 1.21974304828471
Energy: 0.9270601571914089
Energy: 0.9266491969403938
Energy: 0.926575302930473
Energy: 0.9276134487953223
Energy: 0.9267815285687593
Energy: 1.2399143778446955
Energy: 0.9315239084733999
Energy: 0.9310138868961316
Energy: 0.9331718772503352
Energy: 0.9318910207222614
Energy: 0.9323983451279456
Energy: 1.2393694849354722
Energy: 0.9334482247488584
Energy: 1.2093412560996248
Energy: 1.0706957823336196
Energy: 0.9317115717248075
Energy: 0.9297009105844732
Energy: 1.2391833956551446
Energy: 0.9297922746584315
Energy: 0.9307287660102607
Energy: 0.9228398823013914
Energy: 0.9319663270588611
Energy: 0.9319227157842561
Energy: 1.2204901904533183
Energy: 1.2322045897165175
Energy: 1.1969028710238363
Energy: 0.9312353380380852
Energy: 1.196969449403982
Energy: 1.2311732079352762
Energy: 1.2177864016265356
Energy: 1.230002750058131
Energy: 1.2170084235014103
Energy: 1.2425282535172624
Energy: 1.2294080995988692
Energy: 1.2172761936056098
Energy: 1.2394582490793717
Energy: 1.2293474169294092
Energy: 1.229554076581356
Energy: 0.9231431476465843
Energy: 1.2301500442090718
Energy: 1.217690559006087
Energy: 1.2191643050362435
Energy: 1.2290054185072514
Energy: 1.21747543771435
Energy: 0.927532632370607
Energy: 1.2317495420788662
Energy: 0.9319500883786888
Energy: 1.2203886371878356
Energy: 1.1985613084918068
Energy: 1.231788835130926
Energy: 1.2664982861828562
Energy: 1.2299403401011775
Energy: 1.0958875286922258
Energy: 1.2197229938481349
Energy: 0.9308619016334672
Energy: 0.9297286683488705
Energy: 1.2644258907862358
Energy: 0.9298835679802623
Energy: 0.930310157751359
Energy: 1.0701618622249374
Energy: 0.9311314191545014
Energy: 1.2256916951040353
Energy: 0.9349655466945087
Energy: 0.9333844818061946
Energy: 0.9280363290093906
Energy: 1.069582470674376
Energy: 0.9315878790666673
Energy: 0.9310872683253455
Energy: 1.261288817801236
Energy: 0.9318691190835945
Energy: 0.9314015153742919
Energy: 1.0728448386335017
Energy: 0.92668652253907
Energy: 0.9268807839751828
Energy: 1.241255426280124
Energy: 0.927456780687511
Energy: 0.926405177491475
Energy: 1.0734391926694122
Energy: 0.9292483696689058
Energy: 0.9309039169978033
Energy: 1.224494104971673
Energy: 0.9299692088551502
Energy: 0.9283435600317724
Energy: 0.9286501524904354
Energy: 0.9291074809006491
Energy: 0.9324288435325808
Energy: 1.2231517040611148
Energy: 0.9311696105570655
Energy: 0.9287324734964256
Energy: 0.9278310341035031
Energy: 0.9344257672777642
Energy: 0.9274696997564883
Energy: 1.0981478128270077
Energy: 0.9300094153654244
Energy: 0.9281165493947402
Energy: 0.9270952537380865
Energy: 0.9272846346831465
Energy: 0.9311616393903113
Energy: 1.229859511781045
Energy: 0.9281446483875188
Energy: 0.927058404785511
Energy: 0.9372381914839888
Energy: 0.9365389030811628
Energy: 1.2071291567961056
Energy: 1.1965294293549062
Energy: 0.9368559937447107
Energy: 0.9362958550224463
Energy: 1.0707243254784355
Energy: 0.9278318662312413
Energy: 0.9294976974922723
Energy: 1.2157923715885324
Energy: 0.9284141780178419
Energy: 0.9264525975743634
Energy: 1.070787982670586
Energy: 0.9294748125068117
Energy: 0.928829170337515
Energy: 1.260831488285725
Energy: 0.9306768947178402
Energy: 0.9297188927561867
Energy: 1.0775168106148652
Energy: 1.0976959887567272
Energy: 0.933991817696609
Energy: 0.9290608273635172
Energy: 1.197990613161908
Energy: 0.9325877909702524
Energy: 1.2207732471611425
Energy: 1.1969107429825567
Energy: 0.9342950190100683
Energy: 1.0969277337085281
Energy: 0.9318063593245937
Energy: 0.9341319433907469
Energy: 1.213840654164098
Energy: 0.9332090292824331
Energy: 1.0986443467771547
Energy: 1.259109956452028
Energy: 0.9309059424182667
Energy: 0.9309402060327656
Energy: 1.220957311489837
Energy: 0.9322436159517972
Energy: 1.228918502342549
Energy: 1.2167687322592258
Energy: 1.2291655015609921
Energy: 1.0933346057278401
Energy: 1.2394342567573398
Energy: 1.2413990417189442
Energy: 1.2169098159486418
Energy: 0.9292056491108168
Energy: 1.2293301381272392
Energy: 1.2308956832429008
Energy: 1.211610635045768
Energy: 1.234097873053083
Energy: 1.2304352674016092
Energy: 1.2430505464938155
Energy: 1.2303497387341824
Energy: 0.9327103320355272
Energy: 1.2397682274408763
Energy: 1.2286011486159376
Energy: 0.9305130744881571
Energy: 0.9324381600767304
Energy: 0.9313310394387411
Energy: 1.229399333619224
Energy: 1.2192852467188326
Energy: 1.0965744333884835
Energy: 0.9313629945879889
Energy: 0.9323104611208244
Energy: 0.9316711391170229
Energy: 1.2356825187261733
Energy: 1.212301430460312
Energy: 1.1962348192660255
Energy: 1.19595172955466
Energy: 0.9304946874592772
Energy: 0.9316938504636547
Energy: 1.2230396566400148
Energy: 1.213511039795398
Energy: 1.198525082700566
Energy: 0.9342973841678406
Energy: 1.0775505042008444
Energy: 1.0978998193807366
Energy: 1.2335271255101803
Energy: 1.2217811871586723
Energy: 0.9291943688527862
Energy: 0.9300992210628122
Energy: 0.9300596477196725
Energy: 0.9300339734032135
Energy: 0.9294297939669094
Energy: 1.2391598127653851
Energy: 0.9288268239928618
Energy: 0.9267895061711405
Energy: 0.9267680598061083
Energy: 0.9282174019515763
Energy: 0.9311019176322904
Energy: 1.2113801546672531
Energy: 0.9325398567878769
Energy: 0.929408404513385
Energy: 0.9385772631812802
Energy: 0.9315124907604831
Energy: 1.2227918761345222

minimum gb energy = 0.9228398823013914 eV
minimum distance =  2.28770369090671 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.5186800645837455
Energy: 0.9890319442384806
Energy: 0.9888481627194124
Energy: 0.9871011957817606
Energy: 0.9875604991330283
Energy: 0.9924290708192681
Energy: 1.367507385338042
Energy: 0.992066327884658
Energy: 0.9852084118310216
Energy: 0.985286650441187
Energy: 0.9853775633638221
Energy: 0.989527262318728
Energy: 1.3661816924124335
Energy: 0.9858360277269256
Energy: 0.9872201146046752
Energy: 0.9883299548620849
Energy: 0.9871689937672653
Energy: 0.9873764241924216
Energy: 1.3627579271174686
Energy: 0.9879529754187873
Energy: 0.9888425855210792
Energy: 0.9894743415486952
Energy: 0.9887591521838243
Energy: 1.310665654083169
Energy: 1.362810350451924
Energy: 0.9876601172835623
Energy: 0.9875501007582429
Energy: 0.9878838895504752
Energy: 0.9887794401398233
Energy: 1.3115918498467394
Energy: 1.3656948078673599
Energy: 0.9856806906145484
Energy: 0.9855908401392569
Energy: 0.985195997235677
Energy: 0.9861564966614085
Energy: 1.3661128304745143
Energy: 1.3677147587032847
Energy: 1.3093094615780567
Energy: 0.9909843049520753
Energy: 0.9901861383451267
Energy: 0.9918919479597351
Energy: 1.3115737762727488
Energy: 1.3629363194262973
Energy: 0.9894824116094145
Energy: 1.2165821081392167
Energy: 1.1740845683713241
Energy: 1.327477714753137
Energy: 1.3114250011362847
Energy: 1.3670262572463099
Energy: 0.988274844091454
Energy: 0.9912387415812858
Energy: 0.9819761096775309
Energy: 0.9905238406185951
Energy: 0.9933423203529066
Energy: 1.3666348276289253
Energy: 1.3092755841146462
Energy: 1.3114280717335594
Energy: 0.988337702502415
Energy: 1.3097050879616199
Energy: 0.9894206324989191
Energy: 1.3670830268921725
Energy: 0.9895211805318606
Energy: 1.3096791057120805
Energy: 1.198619481177531
Energy: 0.9924302941226109
Energy: 0.9907069801780468
Energy: 1.3674037916132908
Energy: 1.309456665616295
Energy: 1.3127564885692056
Energy: 0.9829989156674396
Energy: 1.3096422096188065
Energy: 0.9916242282687339
Energy: 1.1751214185072427
Energy: 0.9884855648273201
Energy: 0.9804237341550863
Energy: 0.9806432551366869
Energy: 1.3109975602731072
Energy: 0.9912944271388435
Energy: 1.1744083939337575
Energy: 0.990163543432413
Energy: 0.987356698073389
Energy: 1.002812102922001
Energy: 0.9922306084493203
Energy: 0.9876164025750651
Energy: 1.1742034134532249
Energy: 0.9855026673942126
Energy: 1.3239811826789456
Energy: 0.991453676211825
Energy: 0.9873099764956066
Energy: 0.9852825971816662
Energy: 1.0025403162144992
Energy: 0.9892942286989094
Energy: 0.9908782258645598
Energy: 0.9885823451827536
Energy: 0.9888218544867249
Energy: 1.000986706002696
Energy: 0.9847171638533486
Energy: 0.9852771764463792
Energy: 0.9898262078960293
Energy: 0.9799190569437605
Energy: 0.9862342124511221
Energy: 0.9852847838454699
Energy: 0.985488933441419
Energy: 0.9861269925091501
Energy: 0.9855876562638951
Energy: 1.3376223340156201
Energy: 0.9862738694727161
Energy: 0.9860965350777522
Energy: 0.9880000168249409
Energy: 0.9878091031835435
Energy: 0.987473727101485
Energy: 0.9855536363174072
Energy: 0.9876957345262858
Energy: 0.987664197476029
Energy: 1.174939057642681
Energy: 0.9887026094967617
Energy: 0.9879359421047408
Energy: 1.3100163597686953
Energy: 0.9881798476706795
Energy: 0.9881796221730348
Energy: 1.1749635325924237
Energy: 0.9856561045413492
Energy: 0.9854954017481063
Energy: 0.9864255020915081
Energy: 0.9859398793224748
Energy: 0.9857559747327256
Energy: 1.1726777299018978
Energy: 0.9908019045421815
Energy: 0.9895258870157106
Energy: 1.3264228429921034
Energy: 0.9919532333565979
Energy: 0.9889442835213256
Energy: 1.1736641377492183
Energy: 0.9894368529443415
Energy: 1.3252383256283948
Energy: 0.9859736216936706
Energy: 1.324921701172545
Energy: 0.9892199599775465
Energy: 1.3572724373599212
Energy: 0.9899066902024933
Energy: 0.9872446482264556
Energy: 1.199527117636983
Energy: 1.309948260869478
Energy: 0.9909599228600043
Energy: 1.368269668615364
Energy: 1.3086300173931285
Energy: 1.3096227104878444
Energy: 1.0039386362327292
Energy: 1.313979836338079
Energy: 0.9883093669253973
Energy: 1.3654738808748028
Energy: 1.3132828491726922
Energy: 0.9911683092285887
Energy: 0.9900894909385737
Energy: 0.988452812272035
Energy: 0.989126720077556
Energy: 1.357034337980449
Energy: 0.9927945767798699
Energy: 0.9912712869622947
Energy: 0.9902429314966055
Energy: 1.3093343815458462
Energy: 1.3124435974200817
Energy: 1.3588063698289896
Energy: 0.9900426818271204
Energy: 0.9899446627489383
Energy: 1.1752580500375014
Energy: 0.9881795995686348
Energy: 0.9801006265184576
Energy: 1.3670133380377165
Energy: 0.9911686427663623
Energy: 0.9902709545198871
Energy: 0.9883932942480163
Energy: 0.9902887849446002
Energy: 0.9881277817583777
Energy: 1.367047789294451
Energy: 0.9860201547181978
Energy: 0.9857542514359668
Energy: 0.9859204950369144
Energy: 0.9862367516412716
Energy: 0.9876195502702434
Energy: 1.3568085937554588
Energy: 0.9887240499754706
Energy: 0.9886210351264976
Energy: 1.003307807296062
Energy: 0.9899734232950287
Energy: 0.9798912841268729

minimum gb energy = 0.9798912841268729 eV
minimum distance =  2.31048335605479 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.802586227897563
Energy: 1.0648225071211321
Energy: 1.0614086631604498
Energy: 1.0642013594220079
Energy: 1.0829921224451406
Energy: 1.4407279633913948
Energy: 1.0623096596234356
Energy: 1.061857831950627
Energy: 1.0609643972799285
Energy: 1.061179119836807
Energy: 1.0611505888002923
Energy: 1.2964763547000249
Energy: 1.0636448805418823
Energy: 1.2723747691188942
Energy: 1.0631228903104977
Energy: 1.0680843944070801
Energy: 1.062593884403494
Energy: 1.4543217782368976
Energy: 1.0578042803407703
Energy: 1.06270531759387
Energy: 1.06548499532243
Energy: 1.0643027808282959
Energy: 1.0651333579928741
Energy: 1.0618501618424112
Energy: 1.0576279293284694
Energy: 1.0623887860775911
Energy: 1.0632326446621059
Energy: 1.0629974131003177
Energy: 1.0650841564488043
Energy: 1.0585216100594481
Energy: 1.0792485217584384
Energy: 1.0714329246315035
Energy: 1.062529205056538
Energy: 1.0612563520979241
Energy: 1.0629158150511937
Energy: 1.317025738929612
Energy: 1.060926136054219
Energy: 1.4402015658953449
Energy: 1.0636292813910317
Energy: 1.0638426345159657
Energy: 1.065661998026969
Energy: 1.2985752857768398
Energy: 1.0598280475965673
Energy: 1.4400779620390936
Energy: 1.3169269303019306
Energy: 1.0635282056132571
Energy: 1.4547750036463964
Energy: 1.0641291789638312
Energy: 1.062816139773875
Energy: 1.3174438813325975
Energy: 1.0598222891482283
Energy: 1.0579168411605924
Energy: 1.4393768761800174
Energy: 1.2947271069647655
Energy: 1.06329816745151
Energy: 1.0651298823815554
Energy: 1.295023414084785
Energy: 1.056629294090376
Energy: 1.4396730971218417
Energy: 1.0674324291843624
Energy: 1.064331473683762
Energy: 1.0627466455873416
Energy: 1.4561029709947468
Energy: 1.062344764406071
Energy: 1.0627996463107618
Energy: 1.060723553634927
Energy: 1.062681801233512
Energy: 1.0647077375567273
Energy: 1.0627667185847842
Energy: 1.0936667868323797
Energy: 1.062400325354882
Energy: 1.0625397526200417
Energy: 1.0617207678783132
Energy: 1.0666752508996629
Energy: 1.4571714051965945
Energy: 1.0572058944270122
Energy: 1.0629422166573477
Energy: 1.0664619198126926
Energy: 1.0668510787335854
Energy: 1.0678132543994054
Energy: 1.4311117047422721
Energy: 1.0619621342917849
Energy: 1.0624229137519245
Energy: 1.067775904126706
Energy: 1.0609218442248065
Energy: 1.0608018502925618
Energy: 1.4316656540579804
Energy: 1.0626361992632132
Energy: 1.0622062860001975
Energy: 1.0606350714223656
Energy: 1.0604346498502244
Energy: 1.069054306890556
Energy: 1.0623465073528284
Energy: 1.060280673768755
Energy: 1.062860343351195
Energy: 1.0617630947858645
Energy: 1.0648406430283697
Energy: 1.0650985900166605
Energy: 1.06165116577889
Energy: 1.065728268296633
Energy: 1.0617790968262137
Energy: 1.0612267626935619
Energy: 1.0641153849621598
Energy: 1.0645702893063722
Energy: 1.2943601427655573
Energy: 1.0665802811582596
Energy: 1.062534082380204
Energy: 1.0617970461980488
Energy: 1.079508905048779
Energy: 1.295814648936692
Energy: 1.294686092952017
Energy: 1.0633647186171131
Energy: 1.4406182291315104
Energy: 1.0657593782095793
Energy: 1.0608510273488108
Energy: 1.295858471777358
Energy: 1.2946853860825671
Energy: 1.293898796729973
Energy: 1.4419122790610557
Energy: 1.3008874586077193
Energy: 1.0590907129147737
Energy: 1.440667974728569
Energy: 1.2960206085138037
Energy: 1.0800209736736577
Energy: 1.4386539284288358
Energy: 1.0575981962943026
Energy: 1.0622164420017735
Energy: 1.4432317936550128
Energy: 1.063567085548292
Energy: 1.064526054044548
Energy: 1.0657192613510533
Energy: 1.295074106499968
Energy: 1.0825883582633742
Energy: 1.4329218258879104
Energy: 1.0622848751644904
Energy: 1.0650886576381866
Energy: 1.0636355516666358
Energy: 1.0868663301561965
Energy: 1.0566577160909707
Energy: 1.0632589059150503
Energy: 1.064728146287338
Energy: 1.062403494737818
Energy: 1.0657286936991337
Energy: 1.0569977798181427

minimum gb energy = 1.056629294090376 eV
minimum distance =  2.30282111774983 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.3356006174029624
Energy: 1.1436465534209916
Energy: 1.1526165808609727
Energy: 1.1394158998454667
Energy: 1.1831308549323243
Energy: 1.597845514023882
Energy: 1.1538569231677145
Energy: 1.2571807371711827
Energy: 1.1406257474548198
Energy: 1.1422192196013317
Energy: 1.1403353749186722
Energy: 1.1448906810002875
Energy: 1.1548717279782699
Energy: 1.4068562716061526
Energy: 1.1370230448790044
Energy: 1.1391347863135162
Energy: 1.1368106917130307
Energy: 1.180989564386428
Energy: 1.1474684586573982
Energy: 1.1431583516619437
Energy: 1.1460965798036897
Energy: 1.1430730462179166
Energy: 1.145543451593082
Energy: 1.2564692401842128
Energy: 1.1477358600194554
Energy: 1.258072528307099
Energy: 1.1442359473449109
Energy: 1.1568391740350383
Energy: 1.1438362215879094
Energy: 1.2561446832764287
Energy: 1.1544429210427338
Energy: 1.2566690089395143
Energy: 1.4052191456107275
Energy: 1.1343025608058244
Energy: 1.4046405015452352
Energy: 1.156989548817127
Energy: 1.1564232072777838
Energy: 1.1445014151169746
Energy: 1.1430641951442386
Energy: 1.154468861253126
Energy: 1.2569376375492929
Energy: 1.1438050749365323
Energy: 1.152951278613891
Energy: 1.4059553332397876
Energy: 1.1562802520205278
Energy: 1.1544067569874628
Energy: 1.4045035012194864
Energy: 1.1403705111471185
Energy: 1.1554854517059672
Energy: 1.1426676408717509
Energy: 1.5883394527722294
Energy: 1.1339815383150584
Energy: 1.1431117023549198
Energy: 1.1544496358671341
Energy: 1.1451174999817062
Energy: 1.142658948553407
Energy: 1.2581817231160632
Energy: 1.160793028026644
Energy: 1.1431730199272765
Energy: 1.142739152675682
Energy: 1.138832139757164
Energy: 1.1379473497731682
Energy: 1.143454109096451
Energy: 1.153933402909424
Energy: 1.1373391463482485
Energy: 1.1378515395831446
Energy: 1.142200520490243
Energy: 1.1438903689111457
Energy: 1.258467501637181
Energy: 1.1340544302983349
Energy: 1.1430075182736203
Energy: 1.1439924385493803
Energy: 1.155082512296165
Energy: 1.1436178550260585
Energy: 1.4110716201710773
Energy: 1.132193897986415
Energy: 1.1429604028632703
Energy: 1.1544437832939278
Energy: 1.1325203708145586
Energy: 1.4068932350873404
Energy: 1.2494252460793935
Energy: 1.1546675565486568
Energy: 1.4073415863117547
Energy: 1.1321841739345206
Energy: 1.1561209737667535
Energy: 1.1443003238707847
Energy: 1.1448268954677707
Energy: 1.154232437453665
Energy: 1.2566293992184188
Energy: 1.1442837254348248
Energy: 1.1569338961830826
Energy: 1.1519194353691542
Energy: 1.4078706266261487
Energy: 1.1374075779100938
Energy: 1.406236063882581
Energy: 1.1570235973236118
Energy: 1.1319246648919736
Energy: 1.2561103327595218
Energy: 1.1439573030614587
Energy: 1.1556275335626716
Energy: 1.1439648414232537
Energy: 1.135659510838815

minimum gb energy = 1.1319246648919736 eV
minimum distance =  2.2875994913915 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.3182277639800468
Energy: 1.1912695841499328
Energy: 1.190470511343192
Energy: 1.1910977093462125
Energy: 1.190740367793178
Energy: 1.1729816911034365
Energy: 1.209131875867763
Energy: 1.1949523586685047
Energy: 1.1971460083884753
Energy: 1.2016048579372192
Energy: 1.195656288768675
Energy: 1.2051259611704594
Energy: 1.1932437987056486
Energy: 1.313638500295957
Energy: 1.1958655555391298
Energy: 1.1995092083677843
Energy: 1.196033406416974
Energy: 1.145534608356291
Energy: 1.3556537712592078
Energy: 1.5125887398646933
Energy: 1.1955468407902867
Energy: 1.192763788931816
Energy: 1.1942191606900974
Energy: 1.3656580996479954
Energy: 1.1914441828708786
Energy: 1.3641371680226382
Energy: 1.3577277215977468
Energy: 1.1921681246323044
Energy: 1.3567813849985897
Energy: 1.3664727688355975
Energy: 1.1959922041145319
Energy: 1.1988338457504766
Energy: 1.3185560570192247
Energy: 1.1664135550639605
Energy: 1.3679724675017078
Energy: 1.1979689988809357
Energy: 1.2040363590444725
Energy: 1.1990671823508983
Energy: 1.3579026520626392
Energy: 1.2923982346497929
Energy: 1.1925953178287627
Energy: 1.1980631979621816
Energy: 1.197266604689297
Energy: 1.1963641629382056
Energy: 1.19549404330135
Energy: 1.1924497362469824
Energy: 1.1966798732732882
Energy: 1.1963102673675339
Energy: 1.1948410009848598
Energy: 1.203626068776987
Energy: 1.272388209562919
Energy: 1.2179926397818859
Energy: 1.2008160948545763
Energy: 1.2044218574658954
Energy: 1.3517503376328963
Energy: 1.1994204746141164
Energy: 1.1967981245173536
Energy: 1.3525095345094846
Energy: 1.1968647565684825
Energy: 1.199367874431508
Energy: 1.4351366494756834
Energy: 1.1963433842960074
Energy: 1.1614540159888591
Energy: 1.3019120633808492
Energy: 1.199866270634748
Energy: 1.196511548931735
Energy: 1.3369618177748905
Energy: 1.1942900173932045
Energy: 1.1649868640833405
Energy: 1.1659178370798877
Energy: 1.5012701686493093
Energy: 1.2027479494187507
Energy: 1.3284201577470816
Energy: 1.5017391152143778
Energy: 1.1660846317017401
Energy: 1.1732820326523665
Energy: 1.3941884552763757
Energy: 1.1984886032345539
Energy: 1.2715700944968649
Energy: 1.1631334397893167
Energy: 1.1788360789489671
Energy: 1.1617252449098359
Energy: 1.164610913598825
Energy: 1.4768704485806035
Energy: 1.5278324641500443
Energy: 1.1624487168939321
Energy: 1.1626802765607973
Energy: 1.1630969852073554
Energy: 1.1626474039368175
Energy: 1.497993993360091
Energy: 1.3262165608874386
Energy: 1.1574730533001618
Energy: 1.1605686974342033
Energy: 1.16281708568693
Energy: 1.1606353819321755
Energy: 1.1817176412826795
Energy: 1.3880507901347061
Energy: 1.2940664535126334
Energy: 1.1605726963325298
Energy: 1.1589924115297516
Energy: 1.1616720885694836
Energy: 1.4640307606823653
Energy: 1.3870181425310049
Energy: 1.3122809703675475
Energy: 1.2563367909392837
Energy: 1.1911768115541466
Energy: 1.2566627584118164
Energy: 1.4638908498802654
Energy: 1.2756636539246664
Energy: 1.3163961245141678
Energy: 1.3149758259109978
Energy: 1.1398193619014858
Energy: 1.3155021857308415
Energy: 1.1379409983345616
Energy: 1.4907313778381577
Energy: 1.1342796057809974
Energy: 1.2560857302282769
Energy: 1.1332388258776536
Energy: 1.3125798077594504
Energy: 1.134238669179853
Energy: 1.5012909070048817
Energy: 1.1333399713996108
Energy: 1.134626665918217
Energy: 1.231983540127141
Energy: 1.133882090361104
Energy: 1.133766509809757
Energy: 1.2200828398786656
Energy: 1.1376974188892537
Energy: 1.1323853555303394
Energy: 1.5378088790333435
Energy: 1.1340946688006637
Energy: 1.1367786858021023
Energy: 1.2607318998635662
Energy: 1.1387371400257689
Energy: 1.1319716513448193
Energy: 1.1958935978953413
Energy: 1.1326104039080236
Energy: 1.137992622148733
Energy: 1.257593298047581
Energy: 1.1339370856141158
Energy: 1.3225185362068912
Energy: 1.2325360066065851
Energy: 1.1340793336234003
Energy: 1.134443383694922
Energy: 1.257040438471326
Energy: 1.1372417377235857
Energy: 1.458797440421602
Energy: 1.139575900239585
Energy: 1.2995061206871301
Energy: 1.1373693021096998
Energy: 1.2619019289088298
Energy: 1.3014191841193508
Energy: 1.463817893668134
Energy: 1.1386469445102154
Energy: 1.3022134880539946
Energy: 1.1350404833684093
Energy: 1.307178993088693
Energy: 1.4834752356775136
Energy: 1.3384763559924142
Energy: 1.2042732648073289
Energy: 1.463162076565498
Energy: 1.1654617792529691
Energy: 1.13686146702599
Energy: 1.316895706937325
Energy: 1.2208676450185638
Energy: 1.2180457558898634
Energy: 1.2211440226445032
Energy: 1.3013172545471798
Energy: 1.2675489244721945
Energy: 1.2145301103973227
Energy: 1.2146118843299176
Energy: 1.2167355088234002
Energy: 1.2147699136986556
Energy: 1.1448634429612823
Energy: 1.3034166984556828
Energy: 1.3548919184456567
Energy: 1.2204572744074813
Energy: 1.2173929323179
Energy: 1.2210845290269805
Energy: 1.1613206176354776
Energy: 1.5399627219550769
Energy: 1.2439689475191977
Energy: 1.2196297159378973
Energy: 1.3557379264248606
Energy: 1.2197110284932156
Energy: 1.1612867528268254
Energy: 1.266363218518008
Energy: 1.3543998485834254
Energy: 1.2139531471358753
Energy: 1.218340679719614
Energy: 1.215114993249379
Energy: 1.1466694597241274
Energy: 1.2599011788542611
Energy: 1.1449881209968005
Energy: 1.2202337274910517
Energy: 1.220278579918026
Energy: 1.3552045990929178
Energy: 1.145168164710148
Energy: 1.3824605893830948
Energy: 1.3782160715670206
Energy: 1.239711698860251
Energy: 1.2452220561652398
Energy: 1.3789034396145736
Energy: 1.1397709364384672
Energy: 1.2604997295587377
Energy: 1.146028601864418
Energy: 1.5358112808667985
Energy: 1.1371143978470901
Energy: 1.3776086566049885
Energy: 1.1459624746123538
Energy: 1.1407521308596273
Energy: 1.146653142030343
Energy: 1.375498462624574
Energy: 1.1380206364751826
Energy: 1.1486514532983716
Energy: 1.146075678929428
Energy: 1.1415862456381376
Energy: 1.1410677811797287
Energy: 1.138558370693792
Energy: 1.2802964633872669
Energy: 1.1416915759019672
Energy: 1.1410622787608518
Energy: 1.1466194583243494
Energy: 1.1451720733250306
Energy: 1.3612667675787151
Energy: 1.2199888405731611
Energy: 1.1481406205393312
Energy: 1.1454798464250393
Energy: 1.142313695963526
Energy: 1.3169425201746328
Energy: 1.4899616937271358
Energy: 1.2184604765049107
Energy: 1.1467036193121694
Energy: 1.1442045861676067
Energy: 1.5728796536572691
Energy: 1.321074683610568
Energy: 1.3715016684295331
Energy: 1.2683120524186842
Energy: 1.3685522052996117
Energy: 1.1421759334294435
Energy: 1.3971209436975027
Energy: 1.1404287516284355
Energy: 1.1990577148720916
Energy: 1.1923717210636748
Energy: 1.1909233385183837
Energy: 1.1461857301905263
Energy: 1.1391864523893558
Energy: 1.428408232706104
Energy: 1.194139240952597
Energy: 1.1950862983379678
Energy: 1.1937583973835297
Energy: 1.146414587241178
Energy: 1.3647691450777302
Energy: 1.1946796776723576
Energy: 1.1962616495146834
Energy: 1.1999462604998024
Energy: 1.196297427484611
Energy: 1.161066558976415

minimum gb energy = 1.1319716513448193 eV
minimum distance =  2.24173727958813 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7652723916166375
Energy: 1.2120658274468041
Energy: 1.2099636378280951
Energy: 1.409704138586544
Energy: 1.2351587125902517
Energy: 1.1702388125710974
Energy: 1.25307065205187
Energy: 1.2075806313343445
Energy: 1.2136811235333413
Energy: 1.2207576128455109
Energy: 1.2134177029250306
Energy: 1.216278307089171
Energy: 1.2760577088372482
Energy: 1.3668933535501335
Energy: 1.2116310917563908
Energy: 1.21582329916138
Energy: 1.2116250517605491
Energy: 1.2769260485446587
Energy: 1.7474069580032072
Energy: 1.4601696351865836
Energy: 1.2088457774387118
Energy: 1.2066669015279718
Energy: 1.203896890314503
Energy: 1.4563089430984195
Energy: 1.2398912306071677
Energy: 1.4552735108898938
Energy: 1.3644870177361037
Energy: 1.1538029393882598
Energy: 1.368038146500281
Energy: 1.454375131587615
Energy: 1.2435324292012748
Energy: 1.2345548864131108
Energy: 1.1480101818848047
Energy: 1.155780960022351
Energy: 1.242588101102805
Energy: 1.2447361698363144
Energy: 1.24961637399842
Energy: 1.2404755897757216
Energy: 1.367503709554409
Energy: 1.2174803138407797
Energy: 1.2280622854679506
Energy: 1.2404146492130776
Energy: 1.2411660144870524
Energy: 1.2393042462215174
Energy: 1.2461101751615034
Energy: 1.2216896375997548
Energy: 1.235784802413095
Energy: 1.2394084446478595
Energy: 1.2398485172145781
Energy: 1.2402194785729477
Energy: 1.439993663799579
Energy: 1.2296634239646251
Energy: 1.2418542022361994
Energy: 1.2457984209268875
Energy: 1.2768965837830368
Energy: 1.237007439221181
Energy: 1.2488078657072483
Energy: 1.2638138416706715
Energy: 1.2461530265201157
Energy: 1.2384698647922756
Energy: 1.4449548649443706
Energy: 1.2458146124658593
Energy: 1.1078694609148272
Energy: 1.3364708499830493
Energy: 1.2710895864967557
Energy: 1.2442712354296577
Energy: 1.2667132242244712
Energy: 1.26661211680371
Energy: 1.1072992938743715
Energy: 1.1135272254513093
Energy: 1.1065848289090794
Energy: 1.2384415968073124
Energy: 1.2446927708085342
Energy: 1.1040670843122793
Energy: 1.1059495428551542
Energy: 1.1124011541415892
Energy: 1.1043578183794038
Energy: 1.409505870437172
Energy: 1.8728597565938012
Energy: 1.106962510579895
Energy: 1.1225906111253057
Energy: 1.3123583475572185
Energy: 1.1064911380309719
Energy: 1.1033331944512181
Energy: 1.2811130446523402
Energy: 1.1051905870841454
Energy: 1.1078041131543992
Energy: 1.1124446484684307
Energy: 1.107202801260773
Energy: 1.1035932279115346
Energy: 1.2671897448434883
Energy: 1.1081426420788185
Energy: 1.1049811023974832
Energy: 1.105450606200308
Energy: 1.1049745060081686
Energy: 1.3194173804755882
Energy: 1.7525314626149955
Energy: 1.2402016802359521
Energy: 1.1065960158605492
Energy: 1.1043818738023146
Energy: 1.1069714984252332
Energy: 1.4583731698023503
Energy: 1.2716517842479484
Energy: 1.460062343726874
Energy: 1.3760649491341594
Energy: 1.2261678735099721
Energy: 1.3700136564228962
Energy: 1.4576644170778859
Energy: 1.239218870952823
Energy: 1.2435979287071977
Energy: 1.3492476459460652
Energy: 1.1590835593986377
Energy: 1.2475537329170887
Energy: 1.23032441502515
Energy: 1.2513840718994547
Energy: 1.242142182724059
Energy: 1.3743320396656986
Energy: 1.216708536489435
Energy: 1.2270613636732464
Energy: 1.2420938390525205
Energy: 1.2409529780048223
Energy: 1.2394927823539634
Energy: 1.2359619261853356
Energy: 1.3107814119545556
Energy: 1.23986376288421
Energy: 1.2395314027781494
Energy: 1.2383631333497653
Energy: 1.2425647542908032
Energy: 1.4426937207082635
Energy: 1.4414599722910477
Energy: 1.2451061298522543
Energy: 1.2409812694016142
Energy: 1.2689046100417496
Energy: 1.2433637091617193
Energy: 1.439745068358958
Energy: 1.24019789704127
Energy: 1.4184079096197435
Energy: 1.2423785282022861
Energy: 1.4475259102718032
Energy: 1.240787694601002
Energy: 1.21149412267028
Energy: 1.2322362390044725
Energy: 1.4392333756389375
Energy: 1.2407810991734378
Energy: 1.2652844918338888
Energy: 1.4186624542138104
Energy: 1.216151696179111
Energy: 1.2250647571599618
Energy: 1.2133070981733773
Energy: 1.2440155558703694
Energy: 1.2756654109825571
Energy: 1.2148954841481747
Energy: 1.2136687808309656
Energy: 1.2164064672584873
Energy: 1.210880667362839
Energy: 1.234803385913918
Energy: 1.7530152899901243
Energy: 1.2067246689819855
Energy: 1.2252224520872055
Energy: 1.2319471162513416
Energy: 1.2117729764945824
Energy: 1.153178923176812

minimum gb energy = 1.1033331944512181 eV
minimum distance =  2.26847780737068 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.2890190357056515
Energy: 1.2268518826918766
Energy: 1.2274608712310513
Energy: 1.2287737599884243
Energy: 1.2267887746261048
Energy: 1.6372881837241757
Energy: 1.159544220553198
Energy: 1.2278588690494465
Energy: 1.2282492799481466
Energy: 1.226880515915407
Energy: 1.2285074779269791
Energy: 1.2232010248738032
Energy: 1.2922189867124616
Energy: 1.2698033627318777
Energy: 1.2259704081968597
Energy: 1.2306063262151556
Energy: 1.226368261955531
Energy: 1.1624423443911185
Energy: 1.2951764136320023
Energy: 1.4214411703643293
Energy: 1.2222528014344711
Energy: 1.2204514463185512
Energy: 1.2216313804347578
Energy: 1.1602721219997192
Energy: 1.5478180223316
Energy: 1.1611598954831868
Energy: 1.437996416617202
Energy: 1.2805692624412068
Energy: 1.2791955745354509
Energy: 1.1614070802801886
Energy: 1.1599917484926752
Energy: 1.1605395406620937
Energy: 1.1615777946898969
Energy: 1.1624552104166634
Energy: 1.1610571878594271
Energy: 1.1618839593187158
Energy: 1.1695783641494637
Energy: 1.1610659965094676
Energy: 1.27173082008521
Energy: 1.2285798887724804
Energy: 1.1595912043655112
Energy: 1.1608116698591682
Energy: 1.165486402991303
Energy: 1.1601739361333772
Energy: 1.2683378194836732
Energy: 1.226483597916645
Energy: 1.1616819865707706
Energy: 1.1600257415929645
Energy: 1.1586194369094187
Energy: 1.1576413496361653
Energy: 1.1608291730908502
Energy: 1.1579660637527476
Energy: 1.1603830611359216
Energy: 1.1595651690920734
Energy: 1.792480899968479
Energy: 1.162368882463161
Energy: 1.4376326116840392
Energy: 1.339470176253581
Energy: 1.2795214935056687
Energy: 1.1619882615370605
Energy: 1.1591987942612796
Energy: 1.4210996816081942
Energy: 1.2189692785685973
Energy: 1.2193757346332261
Energy: 1.2667866894488748
Energy: 1.158202824382806
Energy: 1.26076448212937
Energy: 1.273075169826155
Energy: 1.2269635551398166
Energy: 1.2334453407458554
Energy: 1.2271672582283522
Energy: 1.1622526200950407
Energy: 1.1607716079734136
Energy: 1.2273264647594462
Energy: 1.2273462440443397
Energy: 1.233790144121061
Energy: 1.2273604343047984
Energy: 1.4256306389917752
Energy: 1.5402738404947003
Energy: 1.2240289902901953
Energy: 1.221140374271296
Energy: 1.2216793320736374
Energy: 1.220999623283213
Energy: 1.2885335930339423
Energy: 1.224958397919254
Energy: 1.229875565450778
Energy: 1.2285287043451103
Energy: 1.2265442021270518
Energy: 1.2273351154056227
Energy: 1.2252155451044129
Energy: 1.2685950241921538
Energy: 1.2238266793864312
Energy: 1.226456421543078
Energy: 1.2281333198055266
Energy: 1.2264482151137042
Energy: 1.2212004112027794
Energy: 1.5450085281685666
Energy: 1.2272396202984364
Energy: 1.2230601629172835
Energy: 1.2804534556522285
Energy: 1.3872667646957078
Energy: 1.2270029592301497
Energy: 1.5457748099294566
Energy: 1.2267087429990118
Energy: 1.2241520367343237
Energy: 1.2691529435059874
Energy: 1.2296184984616148
Energy: 1.228353839101894
Energy: 1.2296802692749915
Energy: 1.2272201613163265
Energy: 1.2235510144806687
Energy: 1.6406579792177554
Energy: 1.226528328015731
Energy: 1.2272144174217754
Energy: 1.2361170127683427
Energy: 1.2282394991872696
Energy: 1.2242209706565297
Energy: 1.158243773622355
Energy: 1.227152018748179
Energy: 1.22811913676505
Energy: 1.2292417437010041
Energy: 1.2260240304251817
Energy: 1.1636420968846255
Energy: 1.2802115558865286
Energy: 1.2191015587869394
Energy: 1.2260180648585968
Energy: 1.2241651764618997
Energy: 1.2191009383048441
Energy: 1.161530376374505
Energy: 1.1600026109758554
Energy: 1.1599758387764656
Energy: 1.220970758722334
Energy: 1.2902536966767695
Energy: 1.279459214101174
Energy: 1.161460420841576
Energy: 1.2257716156198257
Energy: 1.1604525906720127
Energy: 1.439773846880726
Energy: 1.7858176517249578
Energy: 1.1606658291363117
Energy: 1.1590961853695914
Energy: 1.1599187650924025
Energy: 1.1580766021756956
Energy: 1.1605841277520885
Energy: 1.2270029634491528
Energy: 1.160572208490065
Energy: 1.1609410079727474
Energy: 1.1595466480219552
Energy: 1.1613719948405983
Energy: 1.2792760900036664
Energy: 1.2271851411613064
Energy: 1.160297040220752
Energy: 1.160164900998959
Energy: 1.1664469533675124
Energy: 1.1604563469881415
Energy: 1.2923174669227464
Energy: 1.5426884156143919
Energy: 1.1588737020881315
Energy: 1.1572843628250533
Energy: 1.1588764098354056
Energy: 1.158219315862508
Energy: 1.1555325346142031
Energy: 1.3411829288630324
Energy: 1.4369457257309124
Energy: 1.1622550697641028
Energy: 1.2287389475221722
Energy: 1.1616365550347454
Energy: 1.4378783432606141
Energy: 1.219458780412238
Energy: 1.2261068683319787
Energy: 1.1617069789749173
Energy: 1.1656401312606492
Energy: 1.1604341508944889
Energy: 1.2207340414637184
Energy: 1.2321427387700898
Energy: 1.2270275966614848
Energy: 1.1636997588636087
Energy: 1.2270554948709127
Energy: 1.218862555715422
Energy: 1.2268206104257289
Energy: 1.2327369169005524
Energy: 1.2274338777656126
Energy: 1.2243970783874263
Energy: 1.1604177679211027
Energy: 1.2278759333279232
Energy: 1.2273390373093853
Energy: 1.2213723297860497
Energy: 1.220682460706173
Energy: 1.1589562145028547
Energy: 1.1576330793026117
Energy: 1.2217598293579428
Energy: 1.2204907151179714
Energy: 1.5478719023027572
Energy: 1.227305752819213
Energy: 1.224603884808908
Energy: 1.2134418175186088
Energy: 1.2298712439602708
Energy: 1.2288583940660809
Energy: 1.2733197281408346
Energy: 1.2264959237858928
Energy: 1.2212727767098084
Energy: 1.258848647017871
Energy: 1.3851134532776226
Energy: 1.2265912522654232
Energy: 1.2801405200511964
Energy: 1.223436750867559
Energy: 1.2269946386886095
Energy: 1.2282103957260047
Energy: 1.2269049997460961
Energy: 1.2272889571384995
Energy: 1.2722501242734898
Energy: 1.223445736775307
Energy: 1.2267420871133516
Energy: 1.226220612445397
Energy: 1.2259473388379443
Energy: 1.2243643769370232

minimum gb energy = 1.1555325346142031 eV
minimum distance =  2.23940492467915 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.1773713784217779
Energy: 1.316930722075112
Energy: 1.185572557675487
Energy: 1.1872357832525948
Energy: 1.4997492759094797
Energy: 1.1773331096309687
Energy: 1.186146379958219
Energy: 1.3203224392918007
Energy: 1.185464631571452
Energy: 1.1857023632951342
Energy: 1.1860218100836157
Energy: 1.3163724555706995
Energy: 1.317948502515699
Energy: 1.316218464070666
Energy: 1.1859530251374706
Energy: 1.1858865475591573
Energy: 1.1852758995557828
Energy: 1.3166531089099505
Energy: 1.316599563101377
Energy: 1.3162584203430505
Energy: 1.186464405497245
Energy: 1.1858284735233255
Energy: 1.3168176625859807
Energy: 1.3164227280045164
Energy: 1.3161623436644678
Energy: 1.3186737082627724
Energy: 1.1857911495275473
Energy: 1.1776041517273481
Energy: 1.318340360342333
Energy: 1.3166104305269792
Energy: 1.1855007075374626
Energy: 1.1853042924900172
Energy: 1.177529385923321
Energy: 1.180405242939138
Energy: 1.3161249338730072
Energy: 1.1856749306869372
Energy: 1.1852438863886499
Energy: 1.1853806430484901
Energy: 1.316110928931898
Energy: 1.1856238598985835
Energy: 1.3186068074218156
Energy: 1.1858248701690712
Energy: 1.1857159664021226
Energy: 1.1856926394071439
Energy: 1.31654474118019
Energy: 1.3161209535549139
Energy: 1.3166207903358296
Energy: 1.186131200726062
Energy: 1.1862884075888322
Energy: 1.1863648124733017
Energy: 1.3163409860330857
Energy: 1.316496694823998
Energy: 1.3165382923660034
Energy: 1.1863962206611058
Energy: 1.177564765699273
Energy: 1.1856289624377518
Energy: 1.316418071992585
Energy: 1.316217572873198
Energy: 1.3177645538724816
Energy: 1.1856886720360602

minimum gb energy = 1.1773331096309687 eV
minimum distance =  2.2727164495738 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.380245078070603
Energy: 1.160880929741492
Energy: 1.1480727834462037
Energy: 1.148602465448217
Energy: 1.1454175784102496
Energy: 1.158809344331838
Energy: 1.1434653556018828
Energy: 1.147364661202927
Energy: 1.1467268926073781
Energy: 1.3887390437138225
Energy: 1.1473709061436548
Energy: 1.1459480920769634
Energy: 1.3852872984953624
Energy: 1.2590573084955823
Energy: 1.1464325531760653
Energy: 1.3873056716430638
Energy: 1.1468010787822762
Energy: 1.3734514444672465
Energy: 1.3876138062190384
Energy: 1.146686842701426
Energy: 1.1460547355826303
Energy: 1.1472329569952258
Energy: 1.259498868308539
Energy: 1.14650937926105
Energy: 1.385974427511056
Energy: 1.1467530584243357
Energy: 1.1470979642070709
Energy: 1.2299379762005789
Energy: 1.1469968745625225
Energy: 1.3852733541772748
Energy: 1.2055253855400732
Energy: 1.209836772595872
Energy: 1.256493127909752
Energy: 1.1441208767136806
Energy: 1.144639881649562
Energy: 1.2132316006517383
Energy: 1.5960999134368952
Energy: 1.1467709172720404
Energy: 1.2263781718146558
Energy: 1.1434491331412757
Energy: 1.1477886356647984
Energy: 1.3847676014260653
Energy: 1.5952869254745194
Energy: 1.147640717120666
Energy: 1.1464280274004626
Energy: 1.146126959690492
Energy: 1.1471196195322713
Energy: 1.1464404291527315
Energy: 1.1449374709643196
Energy: 1.1462459132461602
Energy: 1.145204153819822
Energy: 1.1468925551741376
Energy: 1.145109862522841
Energy: 1.2391414730862864
Energy: 1.2314539178391677
Energy: 1.1460518338462025
Energy: 1.1460405346746165
Energy: 1.1455645744929357
Energy: 1.1472164697926175
Energy: 1.2652299449230882
Energy: 1.385766935870929
Energy: 1.2579776335822486
Energy: 1.1460133208755705
Energy: 1.1459738989559367
Energy: 1.1439667593599652
Energy: 1.3853092793129194
Energy: 1.2096427684269424
Energy: 1.1448854031736773
Energy: 1.1465456089329538
Energy: 1.1617931154641503
Energy: 1.1463569303328094
Energy: 1.1973883222132533
Energy: 1.1456333696412158
Energy: 1.144188492980402
Energy: 1.1465958508880012
Energy: 1.1618802439126619
Energy: 1.1485669277445585
Energy: 1.1470392681262755
Energy: 1.1453603124483223
Energy: 1.145095384560324
Energy: 1.1456885024474888
Energy: 1.2059724008248123
Energy: 1.145521237571966
Energy: 1.1451805030514182
Energy: 1.1454345723850203
Energy: 1.146667927898429
Energy: 1.146915747859174
Energy: 1.3885816882454132
Energy: 1.2341570253809186
Energy: 1.1461465091289218
Energy: 1.1443348177019863
Energy: 1.2261940226281656
Energy: 1.1465460879112854
Energy: 1.381489031252626
Energy: 1.147483736174533
Energy: 1.1442119356062885
Energy: 1.1594423132037084
Energy: 1.1461149870995417
Energy: 1.3688900714868086
Energy: 1.2072611782802833
Energy: 1.3698406243722163
Energy: 1.12802431205101
Energy: 1.1603245003165237
Energy: 1.1455240364176984
Energy: 1.3856144472762615
Energy: 1.3851617608943105
Energy: 1.1464691472315947
Energy: 1.1281664134266733
Energy: 1.144243887648476
Energy: 1.2558263445629516
Energy: 1.1462213756777722
Energy: 1.3877550128097316
Energy: 1.145937505124675
Energy: 1.1479618235446574
Energy: 1.3852915583930703
Energy: 1.1469984293724569
Energy: 1.147218801658565
Energy: 1.3850926992208847
Energy: 1.2615559090080624
Energy: 1.1465450438009972
Energy: 1.3845279080385686
Energy: 1.146560691890647
Energy: 1.2574646852797489
Energy: 1.1432577095394818
Energy: 1.1462176148684924
Energy: 1.386030507011345
Energy: 1.143665688546982
Energy: 1.1443299400113738
Energy: 1.1432553512550638
Energy: 1.1418348665471345
Energy: 1.3702120364250994
Energy: 1.1439650590812775
Energy: 1.389338756048243
Energy: 1.368579415904357
Energy: 1.3724149123377118
Energy: 1.230059526365923
Energy: 1.2420976928193161
Energy: 1.3808068232642978
Energy: 1.5955882576201357
Energy: 1.3739166777883476
Energy: 1.1458643324121682
Energy: 1.1441325356555514
Energy: 1.146541638821624
Energy: 1.6474279965331617
Energy: 1.3829479865371037
Energy: 1.2330930037413044
Energy: 1.1461216397412295
Energy: 1.1461621118657705
Energy: 1.1462468706964897
Energy: 1.4534789333962004
Energy: 1.210053152463025
Energy: 1.1483469456932327
Energy: 1.1457440631745746
Energy: 1.1457848679521396
Energy: 1.1460101061126382
Energy: 1.147127143138173
Energy: 1.3849997434043124
Energy: 1.2594235013724993
Energy: 1.144456035618483
Energy: 1.1437835755699535
Energy: 1.1441224688022442
Energy: 1.1443629748470814
Energy: 1.209503381960372
Energy: 1.1459791616221984
Energy: 1.1458786662890823
Energy: 1.161297785672078
Energy: 1.267157738289256
Energy: 1.1442023060317603
Energy: 1.144065915878982
Energy: 1.1449216924012122
Energy: 1.1606728739695273
Energy: 1.1647192466639535
Energy: 1.1442160050242574
Energy: 1.1445436665909254
Energy: 1.1453375335335747
Energy: 1.1458843796504352
Energy: 1.1476605805012532
Energy: 1.2125581333273856
Energy: 1.1467751285409353
Energy: 1.1458407096645895
Energy: 1.1454246498544038
Energy: 1.145952925639317
Energy: 1.234096116445776
Energy: 1.3845143303210534
Energy: 1.14663950089964
Energy: 1.1460227657164472
Energy: 1.1441274453210235
Energy: 1.1446243029241596
Energy: 1.2403193730350537
Energy: 1.40527120479879
Energy: 1.240120869249723
Energy: 1.1441951152628573
Energy: 1.1271628735212478
Energy: 1.24094925287056
Energy: 1.3803512110036484
Energy: 1.3863480985988985
Energy: 1.1469296137723024
Energy: 1.2477876698148336

minimum gb energy = 1.1271628735212478 eV
minimum distance =  2.27426898786076 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.0121208050765165
Energy: 1.096736454019681
Energy: 1.09717018156854
Energy: 1.3430334612409018
Energy: 1.0968591456174188
Energy: 1.1229027183535933
Energy: 1.1217107989571908
Energy: 1.2867132108258
Energy: 1.2761632343709828
Energy: 1.353983328143575
Energy: 1.088441121475855
Energy: 1.0907612365024195
Energy: 1.1287556300133852
Energy: 1.1929481272199887
Energy: 1.08826236266596
Energy: 1.3427875981578845
Energy: 1.0881912327709602
Energy: 1.1267996231484645
Energy: 1.4112050276497425
Energy: 1.1222397025134752
Energy: 1.2866690725983443
Energy: 1.0928663679623989
Energy: 1.1958651908568532
Energy: 1.1244735902567924
Energy: 1.4080849198009702
Energy: 1.1225101344148027
Energy: 1.188993784337941
Energy: 1.08850963432781
Energy: 1.188551481852111
Energy: 1.130360832019572
Energy: 1.3517289821072334
Energy: 1.3449616088329646
Energy: 1.2641898241585896
Energy: 1.2519074919752198
Energy: 1.153124544710988
Energy: 1.344647151401245
Energy: 1.104128939450485
Energy: 1.1236983436133143
Energy: 1.370066217824839
Energy: 1.0933468822669659
Energy: 1.309793667529414
Energy: 1.407201418437794
Energy: 1.3799766156932498
Energy: 1.1232203602929074
Energy: 1.2386219172953108
Energy: 1.2396287456494952
Energy: 1.238202503491287
Energy: 1.095780763950017
Energy: 1.1502007395873652
Energy: 1.0854590813278449
Energy: 1.2402899158339282
Energy: 1.240736365669087
Energy: 1.2518948602349742
Energy: 1.1549464658946011
Energy: 1.1700810451886596
Energy: 1.1638460781498414
Energy: 1.0868936879081879
Energy: 1.2449978312058254
Energy: 1.0875315927172828
Energy: 1.1621893312885252
Energy: 1.1207074960952124
Energy: 1.0863552295986199
Energy: 1.090130665795801
Energy: 1.0867718541167728
Energy: 1.2877196082807272
Energy: 1.0857690398577013
Energy: 1.1667079098949376
Energy: 1.0900664693639777
Energy: 1.0865976242449955
Energy: 1.0931862555617904
Energy: 1.164086214554076
Energy: 1.1254044775832572
Energy: 1.1245017895925489
Energy: 1.0888369665610778
Energy: 1.0863243166274055
Energy: 1.0915391243583576
Energy: 1.089892077137168
Energy: 1.0893516752140482
Energy: 1.1214838525926845
Energy: 1.0859780490423374
Energy: 1.1613358331668695
Energy: 1.0868458033278838
Energy: 1.1244002870710705
Energy: 1.0857779257772593
Energy: 1.121799306423885
Energy: 1.0872233078017317
Energy: 1.087105105908253
Energy: 1.5258279433586184
Energy: 1.1623787687372609
Energy: 1.0868754796925275
Energy: 1.1321398624129686
Energy: 1.1608613366482354
Energy: 1.2453729650015188
Energy: 1.5260320802486032
Energy: 1.244772537748099
Energy: 1.13280798252219
Energy: 1.102688987674121
Energy: 1.12171135421009
Energy: 1.238561188941746
Energy: 1.2387429288768443
Energy: 1.2385634916556925
Energy: 1.0947897726221203
Energy: 1.1187426821516524
Energy: 1.1222644706924576
Energy: 1.092018654429982
Energy: 1.111990659242506
Energy: 1.2388334461128698
Energy: 1.1223679513128535
Energy: 1.1198406726425616
Energy: 1.1232370540554544
Energy: 1.5943374337105898
Energy: 1.5280557063876254
Energy: 1.0873267574527863
Energy: 1.1228914062930264
Energy: 1.1285182916488843
Energy: 1.1219367271204028
Energy: 1.1217007429222587
Energy: 1.1112240752650777
Energy: 1.122359435975889
Energy: 1.1219132315821585
Energy: 1.1235908063487674
Energy: 1.1220392172405835
Energy: 1.1243703880612517
Energy: 1.5577502298317514
Energy: 1.1221007189264216
Energy: 1.122442061038033
Energy: 1.122649942091198
Energy: 1.1223753810482455
Energy: 1.0895455046298164
Energy: 1.338882918678542
Energy: 1.163927930375072
Energy: 1.122960787198684
Energy: 1.0982628007976567
Energy: 1.1232201928875951
Energy: 1.2835889361141455
Energy: 1.3564156276336075
Energy: 1.0886864449368072
Energy: 1.1530191192709836

minimum gb energy = 1.0854590813278449 eV
minimum distance =  2.27372551802909 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.509467390512387
Energy: 1.4449848178814515
Energy: 1.2742114880462148
Energy: 1.4439676494535738
Energy: 1.273623160678698
Energy: 1.3976510774350597
Energy: 1.0339322237794033
Energy: 1.10931743805231
Energy: 1.4455803201625383
Energy: 1.4460712200711185
Energy: 1.1082892156551205
Energy: 1.1036678230121661
Energy: 1.1971912759193981
Energy: 1.0320032081764046
Energy: 1.0315098388406194
Energy: 1.3582910596050048
Energy: 1.1084325014805252
Energy: 1.031139693207841
Energy: 1.2013862757518785
Energy: 1.0302572758073685
Energy: 1.1061201256330402
Energy: 1.4461067531255325
Energy: 1.030246883439069
Energy: 1.21811518982249
Energy: 1.1995296614336244
Energy: 1.197503097266753
Energy: 1.0324091676087495
Energy: 1.1989928501313685
Energy: 1.0321969235399175
Energy: 1.1969732632388286
Energy: 1.0333396608762009
Energy: 1.0322443924961129
Energy: 1.2771591818917483
Energy: 1.4436060799160078
Energy: 1.2788310270465932
Energy: 1.0322795023285496
Energy: 1.0338371959924897
Energy: 1.0313067845746289
Energy: 1.2144977352420023
Energy: 1.0297177282922765
Energy: 1.0317136708847179
Energy: 1.358705318169613
Energy: 1.0303281019717538
Energy: 1.1101718579546254
Energy: 1.1976673552804804
Energy: 1.197189080964684
Energy: 1.197232787414585
Energy: 1.0290380326797834
Energy: 1.4471248383314361
Energy: 1.029645067559478
Energy: 1.0307938891691117
Energy: 1.1987496081824291
Energy: 1.030822298179198
Energy: 1.12199669885272
Energy: 1.4465107524892309
Energy: 1.1098830494643626
Energy: 1.0315927404956873
Energy: 1.198499953410754
Energy: 1.0313450327583256
Energy: 1.1085908020698405
Energy: 1.4440471640597066
Energy: 1.031585263957867
Energy: 1.03476383729886
Energy: 1.1961019484838067
Energy: 1.110578939803885
Energy: 1.0314938701669525
Energy: 1.4445362773552453
Energy: 1.4445708032590818
Energy: 1.0306422890588653
Energy: 1.0333191960713184
Energy: 1.0306639906779733
Energy: 1.4446760604328406
Energy: 1.0337906364570395
Energy: 1.4439357787581855
Energy: 1.0310482233754492
Energy: 1.0339077328536843
Energy: 1.0316187331546516
Energy: 1.034738280047124
Energy: 1.5218158178073489
Energy: 1.0316696817841664
Energy: 1.0316774022726194
Energy: 1.0303163437356342
Energy: 1.0313726692407517
Energy: 1.030696586242379
Energy: 1.5077734468654622
Energy: 1.031982945598512
Energy: 1.0315561165958682
Energy: 1.0374864383211886
Energy: 1.0310954106131207
Energy: 1.1059121538394665
Energy: 1.51271215314752
Energy: 1.0293657080112057
Energy: 1.0294532258617577
Energy: 1.0303261803553412
Energy: 1.0287926669982383
Energy: 1.109594005087222
Energy: 1.4411785625272633
Energy: 1.0303693218814607
Energy: 1.0324255224413816
Energy: 1.0316102816785038
Energy: 1.0327086905838765
Energy: 1.0313133127827894
Energy: 1.0335183692892775
Energy: 1.1086893859765439
Energy: 1.032054277281564
Energy: 1.0343730680686423
Energy: 1.0315359792268561
Energy: 1.4473344654166331
Energy: 1.2380319850242736
Energy: 1.2659705821050031
Energy: 1.3680280422600555
Energy: 1.356679010342112
Energy: 1.4468711680229693
Energy: 1.2652208457458467
Energy: 1.445754665566208
Energy: 1.2678422781633851
Energy: 1.1067330718377022
Energy: 1.193967325842068
Energy: 1.1093940558106852
Energy: 1.4467836348794534
Energy: 1.35844353578706
Energy: 1.0320652160417056
Energy: 1.0315453135844588
Energy: 1.1971241779519732
Energy: 1.1098395840824447
Energy: 1.031191468744779
Energy: 1.4455946346064097
Energy: 1.1109119877370117
Energy: 1.030184563591229
Energy: 1.2016916629671195
Energy: 1.0299662922093886
Energy: 1.1972258728301328
Energy: 1.0342636600243087
Energy: 1.0317610339175893
Energy: 1.1978021858621375
Energy: 1.1986597018747183
Energy: 1.0314140468301602
Energy: 1.0294563767773846
Energy: 1.030699063860648
Energy: 1.2145534078905504
Energy: 1.031751555448446
Energy: 1.0328421845883224
Energy: 1.0320844052190854
Energy: 1.6111039425118245
Energy: 1.0295993409377708
Energy: 1.0311993577068814
Energy: 1.1974716894430726
Energy: 1.0380676832049138
Energy: 1.0320799412835384
Energy: 1.2161320652558179
Energy: 1.1978572337766578
Energy: 1.195610994852264
Energy: 1.0294158805284792
Energy: 1.5189802799440186
Energy: 1.0349243557998882
Energy: 1.1969089505006076
Energy: 1.1964779135487926
Energy: 1.031030191889955
Energy: 1.0300694940111257
Energy: 1.4024050357945412
Energy: 1.0309667770378188
Energy: 1.0342764926054162
Energy: 1.1975109212192234
Energy: 1.0310330899193216
Energy: 1.108809704957995
Energy: 1.4470588764857268
Energy: 1.1095259554634687
Energy: 1.031164884604531
Energy: 1.1982648731648755
Energy: 1.1067683115695879
Energy: 1.0312341126795206
Energy: 1.4476260127514433
Energy: 1.219052827587698
Energy: 1.1970793837064144
Energy: 1.0336870268298708
Energy: 1.0308369844509602
Energy: 1.4442921915010614
Energy: 1.4452219452082804
Energy: 1.295097412557627
Energy: 1.0295313510035813
Energy: 1.0341473051159422
Energy: 1.0311136625300459
Energy: 1.0339052864950027
Energy: 1.030938667649598
Energy: 1.4441179461455198
Energy: 1.1941009484384333
Energy: 1.0302398405593232
Energy: 1.0315717011938483
Energy: 1.0316111237194607
Energy: 1.5168262525299738
Energy: 1.1072272157317686
Energy: 1.0316808466953544
Energy: 1.0366317761006318
Energy: 1.0315228202131517
Energy: 1.1070572347014407
Energy: 1.5081394769255656
Energy: 1.0316146695641792
Energy: 1.0318977312730064
Energy: 1.028737318602157
Energy: 1.0289534824718687
Energy: 1.0300710750455326
Energy: 1.5125212199100782
Energy: 1.0292964228492245
Energy: 1.0291677078637433
Energy: 1.0318092291563763
Energy: 1.032166081297547
Energy: 1.1067451043694339
Energy: 1.2798819803397365
Energy: 1.033365712166855
Energy: 1.0323975931673761
Energy: 1.0334393087786562
Energy: 1.0304950033802651
Energy: 1.2693260236619284
Energy: 1.0311108855995452
Energy: 1.1080759884827749
Energy: 1.0324322408848094
Energy: 1.0271018388302666
Energy: 1.0297316845749
Energy: 1.0312534107376992
Energy: 1.0504816891077904
Energy: 1.4451317633105396
Energy: 1.358344444165464

minimum gb energy = 1.0271018388302666 eV
minimum distance =  2.20990649260676 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.899511558903678
Energy: 1.1631138118235143
Energy: 1.1631917180736862
Energy: 1.166930982289622
Energy: 1.163180779826189
Energy: 1.8441795908416911
Energy: 1.1687944016419936
Energy: 0.9094180808194864
Energy: 0.9059802709939601
Energy: 1.1665240735970108
Energy: 0.9084198391231361
Energy: 0.9067340353333941
Energy: 1.1650353589677067
Energy: 0.9098962185835113
Energy: 0.9101235015052418
Energy: 0.8469702918032462
Energy: 0.9091197665078952
Energy: 0.9061175119276963
Energy: 1.1682370469373096
Energy: 0.9112186118557005
Energy: 0.9055499067550045
Energy: 1.1715766399708336
Energy: 0.909210196130131
Energy: 1.358311945218202
Energy: 1.1670985599885482
Energy: 1.167764010074832
Energy: 0.9099817675603675
Energy: 1.163202376301223
Energy: 0.9081253700314663
Energy: 1.167395424146393
Energy: 1.1663144855011
Energy: 1.1624882848965479
Energy: 1.1644205262909904
Energy: 1.1571189002575601
Energy: 1.1633805951827398
Energy: 1.1644422912832848
Energy: 1.4747263370087091
Energy: 1.167549143031688
Energy: 0.9054537923504439
Energy: 1.1700641308029829
Energy: 0.9074287995577879
Energy: 1.2242309282644706
Energy: 1.4745647751554163
Energy: 0.9102124330169279
Energy: 1.1654498991924171
Energy: 1.1720864345315742
Energy: 0.9088823074442764
Energy: 1.474592834982324
Energy: 1.170431206705629
Energy: 0.9099743635552772
Energy: 0.9059698588421559
Energy: 0.8468532934417187
Energy: 0.9088503831968253
Energy: 0.9057831796300176
Energy: 1.1671689949887387
Energy: 0.9097576875657089
Energy: 0.9059966723471344
Energy: 1.1665272734604106
Energy: 0.9091094366298575
Energy: 0.9058819995221713
Energy: 1.1657172730783554
Energy: 0.9050312723624447
Energy: 0.9105758560891196
Energy: 1.1686609222569004
Energy: 0.9104134626651529
Energy: 1.1688425077153488
Energy: 1.169621983939239
Energy: 1.164953342400405
Energy: 0.9107640965786218
Energy: 1.1566756026710046
Energy: 0.9077782273500848
Energy: 1.1648303478416138
Energy: 1.1709205284346387
Energy: 1.1650769577749922
Energy: 0.9104576849257895
Energy: 1.1622129571209658
Energy: 0.9081328194523995
Energy: 1.161646972512464
Energy: 1.4756619802247357
Energy: 0.9051265539217552
Energy: 1.1636671599015103
Energy: 1.1689855455798028
Energy: 0.9101068049074168
Energy: 1.4748046459907114

minimum gb energy = 0.8468532934417187 eV
minimum distance =  2.34110041262226 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.225597489024591
Energy: 1.1391059473293894
Energy: 1.1390630279419618
Energy: 1.2873896260425877
Energy: 1.1382511021977009
Energy: 1.1884503151937738
Energy: 1.137069984617569
Energy: 1.1382148258100944
Energy: 1.12980913254967
Energy: 1.1311693218547707
Energy: 1.2074509061620864
Energy: 1.1548863359192887
Energy: 1.1377822413235306
Energy: 1.1378233002965417
Energy: 1.208201894593803
Energy: 1.128262994743641
Energy: 1.208663552414396
Energy: 1.1377959366624142
Energy: 1.1385912672065879
Energy: 1.138775356396399
Energy: 1.2088518082653654
Energy: 1.1323794463428067
Energy: 1.1396608343644423
Energy: 1.1384317653983316
Energy: 1.1386997062593471
Energy: 1.1380868057497622
Energy: 1.2080539872714793
Energy: 1.1301405674773681
Energy: 1.1386499332933557
Energy: 1.1381304587349097
Energy: 1.13685107774684
Energy: 1.1385125300619983
Energy: 1.2068193717171167
Energy: 1.130306013047211
Energy: 1.2070561262838049
Energy: 1.1372534233635463
Energy: 1.1354607964699839
Energy: 1.1401840494475397
Energy: 1.1297219554800118
Energy: 1.130187781937112
Energy: 1.1296248749861808
Energy: 1.2037205315746349
Energy: 1.1343016048541679
Energy: 1.1383139431342935
Energy: 1.138645049225183
Energy: 1.1377700579195045
Energy: 1.1385750601622018
Energy: 1.126437200206229
Energy: 1.1392390442942197
Energy: 1.1378038793669274
Energy: 1.207938929403366
Energy: 1.1269542777601587
Energy: 1.1382026241128438
Energy: 1.1377023693867707
Energy: 1.1380050448946857
Energy: 1.1385747534732251
Energy: 1.2065680886926748
Energy: 1.1273632990837932
Energy: 1.1385176317026644
Energy: 1.1383317867121308
Energy: 1.142213424230374
Energy: 1.1388571523291715
Energy: 1.2190511433877658
Energy: 1.1397183635958394
Energy: 1.220659806442002
Energy: 1.1396081458653107
Energy: 1.1384010255383556
Energy: 1.2065863921736144
Energy: 1.1386300128494238
Energy: 1.1405132794420083
Energy: 1.2067760195159738
Energy: 1.1393883919430698
Energy: 1.1413444979096998
Energy: 1.138452870884519
Energy: 1.1390277485756266
Energy: 1.1424861082339381
Energy: 1.1387479071673354
Energy: 1.1380826130449744
Energy: 1.1262477856741322
Energy: 1.1387166814878191
Energy: 1.1385096220432291
Energy: 1.1381773480257849
Energy: 1.1388420731326343
Energy: 1.208243925485011
Energy: 1.138187436708753
Energy: 1.2077655423513862
Energy: 1.1384291569311433
Energy: 1.138048282054627
Energy: 1.1382048073044657
Energy: 1.130025734369488
Energy: 1.1378912813175606
Energy: 1.1386033220366294
Energy: 1.3762357797275038
Energy: 1.1242866429090872
Energy: 1.1398263011040326
Energy: 1.1396326392811944
Energy: 1.1311500235173222
Energy: 1.2075198279541448
Energy: 1.1382116610202684
Energy: 1.126398264110617
Energy: 1.1383719678698554
Energy: 1.129591829165839
Energy: 1.1295804126813755
Energy: 1.389053303695176
Energy: 1.1378192156391849
Energy: 1.137620508881523
Energy: 1.137801523068646
Energy: 1.12786395946282
Energy: 1.13164171940238
Energy: 1.1392667292535512
Energy: 1.139697904471042
Energy: 1.1657153841674146
Energy: 1.1391038105505946
Energy: 1.12953968593695
Energy: 1.131309442598969
Energy: 1.1382131660107628
Energy: 1.1382801621544505
Energy: 1.1395259833345017
Energy: 1.1385631709701947
Energy: 1.2070408874658562
Energy: 1.1302514385328717
Energy: 1.219409985694469
Energy: 1.1375759810180457
Energy: 1.137307720769646
Energy: 1.1398881252686766
Energy: 1.2064304138747304
Energy: 1.130282465827034
Energy: 1.1298618134895995
Energy: 1.138069660610525
Energy: 1.1352457110965546
Energy: 1.1385220027328895
Energy: 1.13488541965362
Energy: 1.137530515750467
Energy: 1.1384426600961386
Energy: 1.2048464504753416
Energy: 1.127063924336834
Energy: 1.1293979344517684
Energy: 1.1410103830199432
Energy: 1.1270563240441844
Energy: 1.2085933946767349
Energy: 1.137325088036844
Energy: 1.1406025154020347
Energy: 1.1381766401560465
Energy: 1.2025876125814559
Energy: 1.1273289090764698
Energy: 1.138628449077092
Energy: 1.138405902884531
Energy: 1.1404166654360792
Energy: 1.1385431273906337
Energy: 1.2041760730349134
Energy: 1.1400821044541638
Energy: 1.2222328687982704
Energy: 1.1390442927516253
Energy: 1.139826124887542
Energy: 1.1404327179360163
Energy: 1.139194432404015
Energy: 1.137920789226547
Energy: 1.1381548573369749
Energy: 1.1387679323292685
Energy: 1.1403619147455042
Energy: 1.2101649492940716
Energy: 1.1406732282500465
Energy: 1.1388456219838599
Energy: 1.1411528934273278
Energy: 1.2193390037155651
Energy: 1.1414764162395616
Energy: 1.1390300580145813
Energy: 1.1383072089913813
Energy: 1.1409974854047347
Energy: 1.138531831932041
Energy: 1.2068969968504926
Energy: 1.1262503385846268
Energy: 1.138276377329559
Energy: 1.1384491640450383
Energy: 1.1402052037308734
Energy: 1.138727936994855
Energy: 1.2079621701605514
Energy: 1.1374199480041869
Energy: 1.2072640846969733
Energy: 1.137623862881757
Energy: 1.1245070526623
Energy: 1.1388627189133294
Energy: 1.1384051211484187
Energy: 1.1378233344117354
Energy: 1.1387250067678627
Energy: 1.1271260509800713

minimum gb energy = 1.1242866429090872 eV
minimum distance =  2.25565975694823 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.339255296063251
Energy: 1.2754709571148966
Energy: 1.2768574780538864
Energy: 1.2750697649212408
Energy: 1.2768186098815306
Energy: 1.2454849354215878
Energy: 1.2075164716235893
Energy: 1.26305037457796
Energy: 1.2629005275840275
Energy: 1.2066750017512797
Energy: 1.2650272269598881
Energy: 1.2068471802471403
Energy: 1.2065269639877207
Energy: 1.2079636611151832
Energy: 1.2629623118530091
Energy: 1.190347093318821
Energy: 1.2653279478410095
Energy: 1.207828244974681
Energy: 1.2071650875759699
Energy: 1.2080024441733472
Energy: 1.263653841782553
Energy: 1.206562214248071
Energy: 1.2075344396316696
Energy: 1.2082530486300955
Energy: 1.2083017294478278
Energy: 1.2077784538426655
Energy: 1.2623668466648554
Energy: 1.2066469965888305
Energy: 1.2632020772416068
Energy: 1.208283891965987
Energy: 1.2064185763753592
Energy: 1.26355478074119
Energy: 1.263130737201992
Energy: 1.2067186915432158
Energy: 1.2623207619049055
Energy: 1.208507093678252
Energy: 1.270317621583985
Energy: 1.2637098940938898
Energy: 1.207349041752962
Energy: 1.2770939832765813
Energy: 1.2074020002697452
Energy: 1.2623118535132754
Energy: 1.270251979796267
Energy: 1.2623802570284561
Energy: 1.2070800387967515
Energy: 1.2859290997449204
Energy: 1.2074320678088455
Energy: 1.26285472913558
Energy: 1.2061858500681046
Energy: 1.2069982500417988
Energy: 1.1915094622236544
Energy: 1.1896931557552157
Energy: 1.2626723379068574
Energy: 1.2086276337181916
Energy: 1.2775537111510082
Energy: 1.207061402758362
Energy: 1.1909158586300532
Energy: 1.1897832374066608
Energy: 1.2625871158741249
Energy: 1.2072554754689342
Energy: 1.1897713464044593
Energy: 1.2628042455788602
Energy: 1.207292228350127
Energy: 1.2065952690330395
Energy: 1.4141280501640918
Energy: 1.2629202103904202
Energy: 1.1896137719862234
Energy: 1.2642331551060393
Energy: 1.2077471058813598
Energy: 1.2087519325644163
Energy: 1.2073770860574864
Energy: 1.262429609064366
Energy: 1.208648189418736
Energy: 1.2072626537447653
Energy: 1.208116863832142
Energy: 1.2088123254209702
Energy: 1.2075844250787935
Energy: 1.2071753320656462
Energy: 1.2064492744633926
Energy: 1.263296579300121
Energy: 1.2076873975286495
Energy: 1.2069049633223046
Energy: 1.2067438128433798
Energy: 1.2635748673016372
Energy: 1.2069383219424075
Energy: 1.2627244564944382
Energy: 1.2633378050714317
Energy: 1.2066725893573285
Energy: 1.2629817161727308
Energy: 1.2082485353686299
Energy: 1.2750540187741473
Energy: 1.275414699570151
Energy: 1.2093872905144158
Energy: 1.2036396543591843
Energy: 1.2072154009205205
Energy: 1.2758285007003958
Energy: 1.2644436321500976
Energy: 1.2622151517445972
Energy: 1.262926007779716
Energy: 1.2061212385081086
Energy: 1.264948636298086
Energy: 1.2082302043392659

minimum gb energy = 1.1896137719862234 eV
minimum distance =  2.26756059481066 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.800618150133767
Energy: 1.3838087160854102
Energy: 1.3656629887657723
Energy: 1.3660718546940962
Energy: 1.366237370412351
Energy: 1.3359326872237944
Energy: 1.347132034371979
Energy: 1.3908147331338798
Energy: 1.384854118847056
Energy: 1.38286571870431
Energy: 1.4986849493771925
Energy: 1.3812169781378039
Energy: 1.3473602343848121
Energy: 1.3471839879528575
Energy: 1.4721734253902046
Energy: 1.3167223937982115
Energy: 1.4986957173491275
Energy: 1.3473615949191233
Energy: 1.351141663420493
Energy: 1.34681800484266
Energy: 1.409449344030076
Energy: 1.3476585774569865
Energy: 1.3470169585515765
Energy: 1.3466067264111896
Energy: 1.3463998175348202
Energy: 1.352574115789154
Energy: 1.3817489698966003
Energy: 1.3159534382653229
Energy: 1.3806087954496447
Energy: 1.347831997587386
Energy: 1.3510276360408848
Energy: 1.3813484720938631
Energy: 1.2976876314580754
Energy: 1.3156077802224946
Energy: 1.461342844134386
Energy: 1.3505907695013315
Energy: 1.3784721381692684
Energy: 1.376246363607973
Energy: 1.3771742709471226
Energy: 1.3401442643756851
Energy: 1.3771505214002921
Energy: 1.3998063948071744
Energy: 1.379088067002747
Energy: 1.3513351039785075
Energy: 1.2757234871308025
Energy: 1.297149553236347
Energy: 1.255776133381915
Energy: 1.4058610479388942
Energy: 1.3553522843146186
Energy: 1.3571041480403732
Energy: 1.2730680488711694
Energy: 1.3632093102002274
Energy: 1.4492137097938362
Energy: 1.3565168781446661
Energy: 1.3553154535739338
Energy: 1.302963527905675
Energy: 1.2562155766830134
Energy: 1.3629745215802735
Energy: 1.2582676915481483
Energy: 1.3566961082555904
Energy: 1.3588927186640472
Energy: 1.2850000961787704
Energy: 1.3004210532040155
Energy: 1.297562646603502
Energy: 1.3649740750496107
Energy: 1.2849477634044288
Energy: 1.3573013979822834
Energy: 1.2842534721889696
Energy: 1.270240641243768
Energy: 1.3179937305228635
Energy: 1.2841238385876972
Energy: 1.4495533343105678
Energy: 1.3271510214704794
Energy: 1.3281195709601925
Energy: 1.2553126613849475
Energy: 1.3282630494017853
Energy: 1.5573613514181741
Energy: 1.3286391441973835
Energy: 1.327950679320387
Energy: 1.3290758621625298
Energy: 1.3602504671086053
Energy: 1.3209273146812477
Energy: 1.3184796449131815
Energy: 1.3295530372087234
Energy: 1.3536981789349742
Energy: 1.3005122051520048
Energy: 1.3802740274308773
Energy: 1.3097558805243565
Energy: 1.3798464753794384
Energy: 1.3003769620737027
Energy: 1.35669144296089
Energy: 1.4140381549389374
Energy: 1.510656259479809
Energy: 1.5111747551404011
Energy: 1.5122424463849478
Energy: 1.3541384208842546
Energy: 1.3602215571565626
Energy: 1.2929603565286154
Energy: 1.3097314012146108
Energy: 1.3094339531499952
Energy: 1.311405552194876
Energy: 1.3455490667008936
Energy: 1.3832855042272147
Energy: 1.4961633798639669
Energy: 1.293781474091
Energy: 1.2933544641659254
Energy: 1.2944927112937124
Energy: 1.4456660361386413
Energy: 1.384685111841864
Energy: 1.346180549534417
Energy: 1.500421370351216
Energy: 1.3673642036074207
Energy: 1.3997172032756564
Energy: 1.360150649402383
Energy: 1.3778758592028952
Energy: 1.3796545153140796
Energy: 1.3552387107832295
Energy: 1.3550150918964994
Energy: 1.3470952827261231
Energy: 1.3789353268004068
Energy: 1.3533372067735165
Energy: 1.399503451507613
Energy: 1.3669443053473123
Energy: 1.3646834658513325
Energy: 1.3765791766194602
Energy: 1.3486969335000134

minimum gb energy = 1.2553126613849475 eV
minimum distance =  2.26070314790562 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.3463725496502235
Energy: 1.31498250160361
Energy: 1.314595931206822
Energy: 1.3157793071276929
Energy: 1.314675567281766
Energy: 1.2784810871288055
Energy: 1.2668559596634568
Energy: 1.2707796179954094
Energy: 1.3123177604097895
Energy: 1.3264112648697504
Energy: 1.269349912168647
Energy: 1.2980118024286917
Energy: 1.2700279854497694
Energy: 1.267322860019743
Energy: 1.6234296954553635
Energy: 1.4819062326276333
Energy: 1.266742952228768
Energy: 1.26723354846938
Energy: 1.2665347733404766
Energy: 1.2672520605942998
Energy: 1.3696957545102206
Energy: 1.2954907076753812
Energy: 1.425387613342724
Energy: 1.2681635153233253
Energy: 1.2645207123473161
Energy: 1.3762064624903718
Energy: 1.2795364401940843
Energy: 1.31373293806167
Energy: 1.377504384044858
Energy: 1.5267752445975407
Energy: 1.2714250778907257
Energy: 1.4861150823262472
Energy: 1.279187201486782
Energy: 1.2961778017322816
Energy: 1.3611992580232857
Energy: 1.2697712759633035
Energy: 1.284298837337901
Energy: 1.3766605517875168
Energy: 1.3627207072419727
Energy: 1.297453639904729
Energy: 1.3619046252486091
Energy: 1.2703586120544836
Energy: 1.2841143479523789
Energy: 1.3781926064136771
Energy: 1.2971432962021399
Energy: 1.2955946584258549
Energy: 1.3768495988027323
Energy: 1.2666753666224482
Energy: 1.2664367514470072
Energy: 1.2674304801157628
Energy: 1.266214471193673
Energy: 1.323850653439552
Energy: 1.2693962872289475
Energy: 1.2682051961260676
Energy: 1.26654097699854
Energy: 1.3688211128835228
Energy: 1.3374310648622607
Energy: 1.3238113790954364
Energy: 1.2675326761231673
Energy: 1.3771337706538833
Energy: 1.3210750647356495
Energy: 1.4678684743924462
Energy: 1.3146942976652851
Energy: 1.3161813875425499
Energy: 1.3147524632204652
Energy: 1.267586732331528
Energy: 1.3209302576348618
Energy: 1.270137253485872
Energy: 1.3150017947602994
Energy: 1.3139363095940553
Energy: 1.2803457543274999
Energy: 1.311949974990299
Energy: 1.313684458896165
Energy: 1.2690886661280552
Energy: 1.2655960518026563
Energy: 1.264060715054358
Energy: 1.2804429463158844
Energy: 1.316539048628695
Energy: 1.3137317267732866
Energy: 1.2965619345737467
Energy: 1.266955893579845
Energy: 1.3540708684503684
Energy: 1.2693298243933768
Energy: 1.2967347657489876
Energy: 1.2646539587110432
Energy: 1.467805815839346
Energy: 1.266738865981462
Energy: 1.2671429644199528
Energy: 1.353268906284578
Energy: 1.6241265222965917
Energy: 1.264569690031837
Energy: 1.26966607294436
Energy: 1.2718683824647152
Energy: 1.2694826009306015
Energy: 1.2661482780381603
Energy: 1.2813673744690028
Energy: 1.3131635197761768
Energy: 1.3782373783619934
Energy: 1.5268258504206609
Energy: 1.2653514606337737
Energy: 1.52636583526736
Energy: 1.2803665485286462
Energy: 1.2963723994831557
Energy: 1.363641750579289
Energy: 1.269247939222563
Energy: 1.26724286373562
Energy: 1.3634849619434886
Energy: 1.360872288476028
Energy: 1.2955534801268587
Energy: 1.362748967005365
Energy: 1.2703867325521832
Energy: 1.2668364714964522
Energy: 1.3632195964992535
Energy: 1.3608141853327953
Energy: 1.312808798705431
Energy: 1.3781751810457148
Energy: 1.5273486352554533
Energy: 1.2665096160414642
Energy: 1.5271155628282984
Energy: 1.2802479004791376
Energy: 1.3238273829754863
Energy: 1.375405085141329
Energy: 1.2706533968533562
Energy: 1.2695116104519908
Energy: 1.2670326251679664
Energy: 1.2987125790607812
Energy: 1.2640763325154107
Energy: 1.467594610712933
Energy: 1.2667254714053149
Energy: 1.2671789154323834
Energy: 1.2666402593607515
Energy: 1.467840417237862
Energy: 1.3143319222758352
Energy: 1.2796381037440183
Energy: 1.2675637080955355
Energy: 1.321352506404628
Energy: 1.2696090607781108
Energy: 1.3149090329040367
Energy: 1.31404173146102
Energy: 1.3936443749923018
Energy: 1.4652875289566372
Energy: 1.3212395434932374
Energy: 1.2798101497918255
Energy: 1.3164919539288413
Energy: 1.3536895294996343
Energy: 1.3380619136320142
Energy: 1.2795449826781284
Energy: 1.313789967456545
Energy: 1.2806029309415492
Energy: 1.265600614804315

minimum gb energy = 1.264060715054358 eV
minimum distance =  2.28491406258113 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.3727778511372395
Energy: 1.2936551339359994
Energy: 1.2935689447227416
Energy: 1.2947178550483704
Energy: 1.2936520205508673
Energy: 1.2617198303137889
Energy: 1.2508283587968743
Energy: 1.2452134796553898
Energy: 1.2745261018246805
Energy: 1.2935620858808206
Energy: 1.2447361402056565
Energy: 1.253886570685023
Energy: 1.2408386982749693
Energy: 1.241285782414943
Energy: 1.2263966794012744
Energy: 1.2264781563140532
Energy: 1.2415113538753755
Energy: 1.2412123266185646
Energy: 1.2408148637724403
Energy: 1.24148925971883
Energy: 1.2416871929493836
Energy: 1.2535757005731658
Energy: 1.256321868797714
Energy: 1.2408865657943997
Energy: 1.2264805528222062
Energy: 1.244157392186804
Energy: 1.2444960522556447
Energy: 1.2572216279043942
Energy: 1.315954406025054
Energy: 1.3156098747647107
Energy: 1.2433910470955505
Energy: 1.2556367255811534
Energy: 1.2556354110949994
Energy: 1.2570957969455177
Energy: 1.3162297599169013
Energy: 1.2449202703279671
Energy: 1.2561846401461871
Energy: 1.397886111084471
Energy: 1.41407608606435
Energy: 1.3757365664842565
Energy: 1.396233886028073
Energy: 1.3883686604915337
Energy: 1.256430420980332
Energy: 1.3762138269283097
Energy: 1.244023382693096
Energy: 1.245431718302632
Energy: 1.256438425310903
Energy: 1.25612742579143
Energy: 1.2498022615878912
Energy: 1.3156396823555734
Energy: 1.3165536401735054
Energy: 1.2414218384249256
Energy: 1.3152105494001063
Energy: 1.317429405484681
Energy: 1.253034810008495
Energy: 1.2566286918335086
Energy: 1.2409636880457358
Energy: 1.2414616112360077
Energy: 1.3169231127849925
Energy: 1.2537591688303464
Energy: 1.2379064949835137
Energy: 1.2459755986232597
Energy: 1.2445277023940122
Energy: 1.2440632069932893
Energy: 1.241710220118818
Energy: 1.2448536097568887
Energy: 1.3041630535818836
Energy: 1.2447520730705006
Energy: 1.350866681720851
Energy: 1.2412379166694831
Energy: 1.2443530898407618
Energy: 1.3047937540779715
Energy: 1.2941734810302135
Energy: 1.2936201131777898
Energy: 1.239350368348128
Energy: 1.3010008832283653
Energy: 1.2535019074781857
Energy: 1.2935505769708515
Energy: 1.2931305297972826
Energy: 1.2536768353055394
Energy: 1.273505976126413
Energy: 1.300774152201793
Energy: 1.2439619278840193
Energy: 1.2935611712719555
Energy: 1.250246202091367
Energy: 1.253637242153071
Energy: 1.293910535018544
Energy: 1.2932390270589489
Energy: 1.2409840499010198
Energy: 1.2516294932683025
Energy: 1.3258168437859201
Energy: 1.3440615685410326
Energy: 1.253593458236308
Energy: 1.2932859107699035
Energy: 1.2535189116091077
Energy: 1.2803902361817625
Energy: 1.2407525033838882
Energy: 1.2412286307656408
Energy: 1.2290825704638781
Energy: 1.251794351572031
Energy: 1.3221016653637634
Energy: 1.2412782912092997
Energy: 1.2437342361094015
Energy: 1.2442683102000087
Energy: 1.2438022654811094
Energy: 1.27568564718258
Energy: 1.256096815874974
Energy: 1.24412586588175
Energy: 1.2272479492288615
Energy: 1.5386109368886267
Energy: 1.2562043143289077
Energy: 1.256157895290947
Energy: 1.3158439644554305
Energy: 1.5384422693964213
Energy: 1.2433799386413282
Energy: 1.2562744550319043
Energy: 1.3157753317570708
Energy: 1.2443894755073603
Energy: 1.3168526956094877
Energy: 1.2442699431048356
Energy: 1.2558080080310772
Energy: 1.3639727525243592
Energy: 1.4144195490919447
Energy: 1.2544772151131462
Energy: 1.413539002610485
Energy: 1.2568166043521962
Energy: 1.2539974613402938
Energy: 1.413856993150668
Energy: 1.2560933977801452
Energy: 1.2568551885416592
Energy: 1.3964214354059328
Energy: 1.3765306698702378
Energy: 1.2438881176898549
Energy: 1.3156647845811813
Energy: 1.2557494638107398
Energy: 1.2415155310641905
Energy: 1.316877727150721
Energy: 1.3169676408109572
Energy: 1.2560279237830134
Energy: 1.2564441078888924
Energy: 1.5386951818974477
Energy: 1.2415484187645733
Energy: 1.3637042803152641
Energy: 1.2575451342304242
Energy: 1.3044594533946519
Energy: 1.244102859427135
Energy: 1.2445705560110423
Energy: 1.2440301873665742
Energy: 1.2444704221863503
Energy: 1.2567846645305063
Energy: 1.2379628567171432
Energy: 1.2444625557326907
Energy: 1.3164985337878485
Energy: 1.2413963940789454
Energy: 1.389606243498058
Energy: 1.2440511084385937
Energy: 1.2929901215827078
Energy: 1.2940575573943693
Energy: 1.3640130294136052
Energy: 1.3008088364603818
Energy: 1.2412749482066219
Energy: 1.2940591235960675
Energy: 1.2931950857401833
Energy: 1.2931069612618609
Energy: 1.2383588726661674
Energy: 1.3009686787734165
Energy: 1.2536917811660737
Energy: 1.293545874411629
Energy: 1.2501753019481268
Energy: 1.2410455732664578
Energy: 1.253753952686742
Energy: 1.2933807346685124
Energy: 1.2534716731241122
Energy: 1.2421924604128043

minimum gb energy = 1.2263966794012744 eV
minimum distance =  2.26303299547112 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.260760398220379
Energy: 1.2466242220532686
Energy: 1.2457425336824464
Energy: 1.2657903306366785
Energy: 1.2461550445089922
Energy: 1.6198747307484302
Energy: 1.1999066734587993
Energy: 1.204525985577108
Energy: 1.2421404002901124
Energy: 1.263020942519698
Energy: 1.2161294738774773
Energy: 1.198580386224321
Energy: 1.200646974894226
Energy: 1.2038143087376736
Energy: 1.1938823947894939
Energy: 1.195544905787428
Energy: 1.2038906685964934
Energy: 1.2035980244755646
Energy: 1.216117945091506
Energy: 1.2155214855129242
Energy: 1.204292634792394
Energy: 1.2211532723957708
Energy: 1.2032074753727093
Energy: 1.2172770214782356
Energy: 1.1941664370304275
Energy: 1.2007565376748883
Energy: 1.200581813783912
Energy: 1.1993559982076778
Energy: 1.1994227774431372
Energy: 1.441432425486932
Energy: 1.2151064583101607
Energy: 1.2040073594726672
Energy: 1.1995584602989042
Energy: 1.197933458728333
Energy: 1.1974014093527812
Energy: 1.2167470424563849
Energy: 1.2035504806522486
Energy: 1.3009235444808964
Energy: 1.3116936847561358
Energy: 1.4073626902579301
Energy: 1.3024887579129343
Energy: 1.301264865135807
Energy: 1.204251967459269
Energy: 1.3025101380746882
Energy: 1.1981290650648968
Energy: 1.1993722474451578
Energy: 1.197737000505865
Energy: 1.204351603788844
Energy: 1.2160990557094664
Energy: 1.360181885364861
Energy: 1.309028130402666
Energy: 1.1980627038117393
Energy: 1.30923919350244
Energy: 1.3000309671855321
Energy: 1.2158188169402688
Energy: 1.2035415621775387
Energy: 1.1983663041669723
Energy: 1.1979913169884553
Energy: 1.3095962524969067
Energy: 1.2047630622788539
Energy: 1.1999576285150209
Energy: 1.1981486814676305
Energy: 1.19810830858309
Energy: 1.2012162092348826
Energy: 1.1997465537181364
Energy: 1.2003493505274971
Energy: 1.214360968661109
Energy: 1.3170007916057933
Energy: 1.307264333156788
Energy: 1.197247226618361
Energy: 1.2003585688653042
Energy: 1.2007118272705246
Energy: 1.2153628425200071
Energy: 1.2158558360631775
Energy: 1.2020058456431995
Energy: 1.1985448737834508
Energy: 1.204901401559298
Energy: 1.2158389822503977
Energy: 1.199582855991717
Energy: 1.2162692063744827
Energy: 1.1981407375435313
Energy: 1.2124916053574202
Energy: 1.2159085335970863
Energy: 1.3255066094687253
Energy: 1.2603827698438945
Energy: 1.1984435375280291
Energy: 1.262581485423842
Energy: 1.2638554731313536
Energy: 1.2459166958788155
Energy: 1.2022593636713275
Energy: 1.2683005042740652
Energy: 1.2727030650094586
Energy: 1.263868606489213
Energy: 1.2450010843633126
Energy: 1.198436810527728
Energy: 1.271208057458593
Energy: 1.24431535823755
Energy: 1.2458618877726475
Energy: 1.1941666118097762
Energy: 1.1942627010717362
Energy: 1.2900893823122874
Energy: 1.2456876553815524
Energy: 1.262131065853578
Energy: 1.1987575940724482
Energy: 1.204426544664586
Energy: 1.2914452021062302
Energy: 1.2161244539769032
Energy: 1.2220908755839497
Energy: 1.1947763535975042
Energy: 1.1998870513550393
Energy: 1.2041165485147245
Energy: 1.20066167421414
Energy: 1.2037755507711128
Energy: 1.1939563080009
Energy: 1.2351399976236377
Energy: 1.2037080556262842
Energy: 1.2165880058608591
Energy: 1.215453786129501
Energy: 1.2159723853297644
Energy: 1.216761970122574
Energy: 1.1974949009803018
Energy: 1.2005261376911696
Energy: 1.1976285544210747
Energy: 1.1951476309205298
Energy: 1.201258402398309
Energy: 1.2011616653375083
Energy: 1.1980199821702913
Energy: 1.1987854870172188
Energy: 1.2040978793622161
Energy: 1.2152938317208788
Energy: 1.200575788604009
Energy: 1.1986107893561673
Energy: 1.2209236257646323
Energy: 1.4074546372064303
Energy: 1.2041862943346744
Energy: 1.2050229874291154
Energy: 1.309020122540145
Energy: 1.4079958744870573
Energy: 1.1977490100409118
Energy: 1.1977430783241372
Energy: 1.3011386898262234
Energy: 1.2040308654775076
Energy: 1.3000612794330975
Energy: 1.1997256429254834
Energy: 1.1974705757262345
Energy: 1.30813984760016
Energy: 1.3006545242714291
Energy: 1.2039803739133168
Energy: 1.300358418413341
Energy: 1.1977450404778949
Energy: 1.1980587796402884
Energy: 1.3110385482029898
Energy: 1.203808693157309
Energy: 1.2053049314504767
Energy: 1.2047988892837542
Energy: 1.3107976103737224
Energy: 1.1982916125259948
Energy: 1.199090050145179
Energy: 1.198152379968628
Energy: 1.2146592081056324
Energy: 1.2011873070918984
Energy: 1.1976589228330898
Energy: 1.1976600264093018
Energy: 1.200616054788449
Energy: 1.1982120709266737
Energy: 1.200567844619591
Energy: 1.1984517428677888
Energy: 1.1976116310368212
Energy: 1.2128379426300318
Energy: 1.2008833936161802
Energy: 1.2161518948623191
Energy: 1.2155801294273052
Energy: 1.2165271124030632
Energy: 1.2000635929137289
Energy: 1.198184855506551
Energy: 1.206247235030706
Energy: 1.2654977751612861
Energy: 1.2014021907162986
Energy: 1.356565057170932
Energy: 1.2047080765109246
Energy: 1.262670336214667
Energy: 1.263508787861134
Energy: 1.2010719360286926
Energy: 1.2613323078371002
Energy: 1.1977697165354633
Energy: 1.263263897685103
Energy: 1.2444138295335534
Energy: 1.3376860493864011
Energy: 1.214109835834712
Energy: 1.2604125845359877
Energy: 1.197955820914624
Energy: 1.2453180890014701
Energy: 1.2289191976606753
Energy: 1.200082502805953
Energy: 1.2918846912462894
Energy: 1.2446649724109842
Energy: 1.2901680864879153
Energy: 1.2259476523501505

minimum gb energy = 1.1938823947894939 eV
minimum distance =  2.26384033421013 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014918056058039204
Energy: 0.09665811028927743
Energy: 0.0944446564237659
Energy: 0.09419474460249722
Energy: 0.09603596577610156
Energy: 0.01557230593208746
Energy: 0.10911954723061315
Energy: 0.10903803633824856
Energy: 0.10933135346381595
Energy: 0.10998835152990487
Energy: 0.10898384632482626
Energy: 0.10938778038332855
Energy: 0.9473173543244982
Energy: 0.094810445710822
Energy: 0.0155485920916489
Energy: 0.016934587303981497
Energy: 0.09520313742631044
Energy: 0.0943801173896672
Energy: 0.015129781385161106
Energy: 0.10903803633824856
Energy: 0.10933135346381595
Energy: 0.10998835153061164
Energy: 0.10898384632482626
Energy: 0.10938778038332855

minimum gb energy = 0.014918056058039204 eV
minimum distance =  2.45281303334289 Angstroms
sigma value = 1