Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
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=[0.0, 0.0, 3.1040890542442797e-19, 3.46794336782568e-19, 3.76416980568594e-19, 4.01135361677946e-19, 4.22090229874032e-19, 4.40042619058002e-19, 4.55529258402246e-19, 4.689410790054599e-19, 4.80582494428104e-19, 4.906858202821079e-19, 4.99441715586918e-19, 5.0700078494613e-19, 5.134928046670979e-19, 5.190219162310319e-19, 5.236794437060699e-19, 5.27542291570644e-19, 5.30676149066748e-19, 5.3314029672984e-19, 5.34986004212208e-19, 5.362565302829699e-19, 5.369935315346099e-19, 5.372322558530759e-19, 5.3697750976827e-19, 5.36162001861564e-19, 5.346831928283819e-19, 5.32456167307122e-19, 5.2935435334369795e-19, 5.25223941981246e-19, 5.198902959666599e-19, 5.131435301608859e-19, 5.0473370500902e-19, 4.94356406950602e-19, 4.81643135359812e-19, 4.661436786024959e-19, 4.4730368356329e-19, 4.2443261211293992e-19, 3.9666368669245197e-19, 3.6290422283743798e-19, 3.21750713816514e-19, 2.71386291326724e-19, 2.0942851871331e-19, 1.3269371078685058e-19, 3.68664047836668e-20, -8.403592684759739e-20, -2.3858012256894e-19, -4.397029576115939e-19, -7.079073261431939e-19, -1.077646434501276e-18, -1.61142119317818e-18, -2.4349079395215e-18, -3.84078589232382e-18, -6.66917239138938e-18]
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: 0.010304846440979272
Energy: 0.010980326956672644
Energy: 0.01078162701322229
Energy: 0.012234472052532348
Energy: 0.21859706028822615
Energy: 0.010766746758157864
Energy: 0.010980326956422783
Energy: 0.05489630278354697
Energy: 0.05483027015638794
Energy: 0.055219208317637256
Energy: 0.05501245067959569
Energy: 0.054724306086583574
Energy: 0.01078162701347215
Energy: 0.05483027015638794
Energy: 0.05508407779413016
Energy: 0.01082176197568076
Energy: 0.05489577534394685
Energy: 0.05442389462383551
Energy: 0.012234472052532348
Energy: 0.05521920831788711
Energy: 0.0108217619754309
Energy: 0.010599729880041382
Energy: 0.054744823981454555
Energy: 0.010698352408593589
Energy: 0.21859706028822615
Energy: 0.05501245067959569
Energy: 0.05489577534394685
Energy: 0.0547448239812047
Energy: 0.054528182709097095
Energy: 0.05487679340440899
Energy: 0.010766746758157864
Energy: 0.054724306086583574
Energy: 0.05442389462383551
Energy: 0.010698352408121631
Energy: 0.054876793404658855
Energy: 0.010920226449695338

minimum gb energy = 0.010304846440979272 eV
minimum distance =  2.85691193136672 Angstroms
sigma value = 1


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

Energy: 0.8457211100471195
Energy: 0.7909957785912268
Energy: 0.683368112682599
Energy: 0.6235516605799796
Energy: 0.8665365838010455
Energy: 0.7165620109682074
Energy: 0.6751144303884944
Energy: 0.4981920645135888
Energy: 0.5006088977498617
Energy: 0.5533356464773049
Energy: 0.5038691009183532
Energy: 0.50022543610794
Energy: 0.6856534704540866
Energy: 0.49817921008505234
Energy: 0.4978637392284237
Energy: 0.5395894165601328
Energy: 0.50002164517346
Energy: 0.49763379783574696
Energy: 0.7105299502269364
Energy: 0.4997489804557661
Energy: 0.6652834045836001
Energy: 0.5581742287936395
Energy: 0.6813657320162051
Energy: 0.7025809605976547
Energy: 0.6848130628413807
Energy: 0.5002226078913293
Energy: 0.5003619627812999
Energy: 0.507871266813041
Energy: 0.4989484597602368
Energy: 0.4978052439011505
Energy: 0.6714720280900894
Energy: 0.5461789331281955
Energy: 0.5596414780394591
Energy: 0.5980130462725927
Energy: 0.5607279901219229
Energy: 0.5690038568845981
Energy: 0.6878599524309829
Energy: 0.5836553423415587
Energy: 0.5624419878293956
Energy: 0.5629636759304747
Energy: 0.6109192634171696
Energy: 0.5605718673938282
Energy: 0.6772323740448959
Energy: 0.6192189670420661
Energy: 0.596055046025343
Energy: 0.6267221399272358
Energy: 0.6267133305179029
Energy: 0.5621278059358723
Energy: 0.5988212681400966
Energy: 0.5714852592707601
Energy: 0.5628113783693893
Energy: 0.5796174858055018
Energy: 0.5686067176994827
Energy: 0.58064451471211
Energy: 0.6128059607756685
Energy: 0.49940374210556765
Energy: 0.49731737877756
Energy: 0.5010706070731753
Energy: 0.5060225186450257
Energy: 0.49841440866154446
Energy: 0.6873706380740878
Energy: 0.6228356602188722
Energy: 0.6234316210204572
Energy: 0.6871073407330597
Energy: 0.6224640582433603
Energy: 0.7154504420190605
Energy: 0.5028941600237434
Energy: 0.4977542257142508
Energy: 0.4993592368132811
Energy: 0.5032583554502819
Energy: 0.502017141930186
Energy: 0.4990481607003947
Energy: 0.5068138394037107
Energy: 0.49739670596420954
Energy: 0.498498434293926
Energy: 0.5069347880355283
Energy: 0.6448250009104664
Energy: 0.4982774728980612
Energy: 0.6847984672095628
Energy: 0.6916449020751013
Energy: 0.6692133336400419
Energy: 0.6264796522669542
Energy: 0.6674863754071519
Energy: 0.7464759486844071
Energy: 0.5397378191624834
Energy: 0.497789649630216
Energy: 0.4969058321692939
Energy: 0.5020511228345386
Energy: 0.5016992784686449
Energy: 0.4974273146696678
Energy: 0.5438185744000891
Energy: 0.533175267458803
Energy: 0.5439193713273393
Energy: 0.5037743410920089
Energy: 0.5339079592389155
Energy: 0.5279055569045825
Energy: 0.6816054400127276
Energy: 0.640984112062093
Energy: 0.6105784141348592
Energy: 0.680748146415469
Energy: 0.607027900214257
Energy: 0.6486727845596744
Energy: 0.6584847313346048
Energy: 0.5711001885413971
Energy: 0.5493807557401015
Energy: 0.5304097150468554
Energy: 0.5423642768804243
Energy: 0.5577445056731409
Energy: 0.6312339995875682
Energy: 0.5986154230055479
Energy: 0.574386275035121
Energy: 0.5680686790534429
Energy: 0.58237486041371
Energy: 0.5848884987146618
Energy: 0.6819889406091109
Energy: 0.531463127433865
Energy: 0.5339209651424075
Energy: 0.5353221449968415
Energy: 0.5299538205819239
Energy: 0.53787347115665
Energy: 0.700655198201708
Energy: 0.5767857704742372
Energy: 0.6386474256674297
Energy: 0.5614555527213589
Energy: 0.6636389825269896
Energy: 0.6567786681242479
Energy: 0.6738535703221119
Energy: 0.5292930118635081
Energy: 0.5393513581338369
Energy: 0.626297972220386
Energy: 0.5273640389185512
Energy: 0.5353967231325073
Energy: 0.6751119721295727
Energy: 0.5001353427014189
Energy: 0.4981417201198063
Energy: 0.49333770770225904
Energy: 0.5000392884057766
Energy: 0.49783579286285273

minimum gb energy = 0.49333770770225904 eV
minimum distance =  2.63103967578996 Angstroms
sigma value = 33


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

Energy: 0.9432422465055266
Energy: 0.6332618887272631
Energy: 0.6884469729635315
Energy: 0.6874261570293339
Energy: 0.7484827371998843
Energy: 0.7051544834011936
Energy: 0.7316370703585249
Energy: 0.5064635902518886
Energy: 0.507837229950924
Energy: 0.5432163044016733
Energy: 0.5072898016924046
Energy: 0.5302978782191003
Energy: 0.7051369301181318
Energy: 0.5303942062072132
Energy: 0.5120750515027158
Energy: 0.5347870367452439
Energy: 0.5202688854455249
Energy: 0.5299674087157356
Energy: 0.6888988928459688
Energy: 0.5276753540049802
Energy: 0.5504454499237899
Energy: 0.5587540400404707
Energy: 0.6088249175160269
Energy: 0.6366210745181017
Energy: 0.706667338069212
Energy: 0.5270319993122305
Energy: 0.5360745292724475
Energy: 0.5979735041570877
Energy: 0.5260410879921873
Energy: 0.5262308669698941
Energy: 0.6874259229993225
Energy: 0.5275842979235232
Energy: 0.5289077759454955
Energy: 0.594498933297518
Energy: 0.5253390541339062
Energy: 0.5618765710397883
Energy: 0.6854957432047386
Energy: 0.5527924795896056
Energy: 0.5528390693224221
Energy: 0.591618773564105
Energy: 0.7136645567181727
Energy: 0.5425660408672227
Energy: 0.6751613998122413
Energy: 0.5971553180805144
Energy: 0.567786342480213
Energy: 0.5739743668933847
Energy: 0.6100852463858708
Energy: 0.517656624188911
Energy: 0.6100418349961678
Energy: 0.5164187546013296
Energy: 0.5456286932743497
Energy: 0.5720941655929298
Energy: 0.5182729939944041
Energy: 0.5426769950164653
Energy: 0.5980690604664946
Energy: 0.5289774679858105
Energy: 0.5282456190567562
Energy: 0.5279626152749145
Energy: 0.5454554887426631
Energy: 0.5268156562216211
Energy: 0.6624018577718943
Energy: 0.68798193479609
Energy: 0.692823774628965
Energy: 0.6887003898349353
Energy: 0.6876140849989639
Energy: 0.6899225628721265
Energy: 0.5470540527953164
Energy: 0.49837370837636014
Energy: 0.5284652434291593
Energy: 0.5295206687590227
Energy: 0.5145762714030259
Energy: 0.5293184224003729
Energy: 0.5344622832713471
Energy: 0.5292985031369907
Energy: 0.5289080556611467
Energy: 0.5295384409508441
Energy: 0.5291014269255635
Energy: 0.5295506291013572
Energy: 0.7010564800097125
Energy: 0.6364149719886025
Energy: 0.6476699783272031
Energy: 0.6877078332301694
Energy: 0.6478255296120734
Energy: 0.5753076752457357
Energy: 0.6001547688512733
Energy: 0.526319015196571
Energy: 0.5261439617313909
Energy: 0.5263696288599385
Energy: 0.52645015548266
Energy: 0.5273417196244913
Energy: 0.5992782196958132
Energy: 0.5900856827940015
Energy: 0.5421581299920247
Energy: 0.526493495643823
Energy: 0.5910103143911235
Energy: 0.5630964027541133
Energy: 0.7014998710679441
Energy: 0.5464170667211832
Energy: 0.5470311730507568
Energy: 0.6809524505498841
Energy: 0.5434285133015059
Energy: 0.5438462495313116
Energy: 0.6684393397212344
Energy: 0.5820440424775711
Energy: 0.543113241928074
Energy: 0.5251393506172015
Energy: 0.5417166872019831
Energy: 0.590372646641789
Energy: 0.6312340241727629
Energy: 0.5739530110080124
Energy: 0.5328596023550869
Energy: 0.5715221953580927
Energy: 0.5741493815926593
Energy: 0.6060889276202924
Energy: 0.6807157944561781
Energy: 0.5297332885167793
Energy: 0.5289473069816044
Energy: 0.5442243988740458
Energy: 0.5286841098089712
Energy: 0.5298465595725829
Energy: 0.6886147899809526
Energy: 0.6783799946892184
Energy: 0.6622269807623916
Energy: 0.4997594533063768
Energy: 0.6231605761210705
Energy: 0.6934029008659666
Energy: 0.6849316357065325
Energy: 0.5295862657991671
Energy: 0.5295393118158375
Energy: 0.5156389313543361
Energy: 0.5286206444223491
Energy: 0.5304851229529969
Energy: 0.7547306338675477
Energy: 0.5308196839396278
Energy: 0.5301061941040155
Energy: 0.5312447637479257
Energy: 0.5297570336452497
Energy: 0.5297488660396874
Energy: 0.8044939805929926
Energy: 0.7812343651833396
Energy: 0.7922421218533878
Energy: 0.648267351582709
Energy: 0.7737944055573663
Energy: 0.615143082851951
Energy: 0.7788198325163195
Energy: 0.5266611654494827
Energy: 0.5283325432805219
Energy: 0.5832774175193464
Energy: 0.5270393718406823
Energy: 0.5277723359219021
Energy: 0.6869697942651626
Energy: 0.5565347112880604
Energy: 0.5621611668925086
Energy: 0.5912107315062979
Energy: 0.5434107739397023
Energy: 0.5613288875093843
Energy: 0.6912521505379798
Energy: 0.6826954363534949
Energy: 0.5711903172735844
Energy: 0.6137654283403037
Energy: 0.6011678498359282
Energy: 0.5747827239676707
Energy: 0.6783197705003451
Energy: 0.6081861681298003
Energy: 0.5551841187105709
Energy: 0.5508410192939797
Energy: 0.5107480884108512
Energy: 0.5421605908026832
Energy: 0.5764995056506588
Energy: 0.5780941946383854
Energy: 0.6000560453308169
Energy: 0.5759479512272279
Energy: 0.6253508855098094
Energy: 0.5687889994252496
Energy: 0.6143420282762302
Energy: 0.5408966154015713
Energy: 0.5286489500541945
Energy: 0.5286074621598156
Energy: 0.5800462655713463
Energy: 0.528326802221116
Energy: 0.6737911940102181
Energy: 0.5004787077892914
Energy: 0.7138372578444565
Energy: 0.6735132075850082
Energy: 0.4995094339916253
Energy: 0.7040330606173957
Energy: 0.5241290871395148
Energy: 0.4988012678095916
Energy: 0.5003273391658986
Energy: 0.5318474349787942
Energy: 0.5006959831315818
Energy: 0.5304247149499541
Energy: 0.52815425987387
Energy: 0.5295529345448267
Energy: 0.5279093563339938
Energy: 0.527794349392813
Energy: 0.5281663628552068
Energy: 0.5273340798050588
Energy: 0.687875365231734
Energy: 0.6473345190052605
Energy: 0.6472759968397266
Energy: 0.6900292874581513
Energy: 0.6490014192527989
Energy: 0.6106685375836386
Energy: 0.6063091161326205
Energy: 0.5269651868596283
Energy: 0.5261322147131205
Energy: 0.5268902080495661
Energy: 0.579707965785246
Energy: 0.5263010610507914
Energy: 0.6024940817810019
Energy: 0.5923532093319249
Energy: 0.5416997892409449
Energy: 0.5617340945341697
Energy: 0.5484837965191381
Energy: 0.5591819270820617
Energy: 0.6447161521675984
Energy: 0.663184785702691
Energy: 0.6637558505319897
Energy: 0.5875499031941259
Energy: 0.6838104408690089
Energy: 0.6577657771554413
Energy: 0.6620716876699692
Energy: 0.5909135390986447
Energy: 0.5433993517987514
Energy: 0.5103198607923546
Energy: 0.5492676173513423
Energy: 0.5420087005588148
Energy: 0.6446628618364623
Energy: 0.5440440031537355
Energy: 0.5227803404629028
Energy: 0.6309297424893976
Energy: 0.5753601572316297
Energy: 0.5912235750367115
Energy: 0.7081539537173248
Energy: 0.5896665292879163
Energy: 0.5511232163639477
Energy: 0.5047582981339993
Energy: 0.5069415310729164
Energy: 0.5316837255015013
Energy: 0.710160800283322
Energy: 0.5352466893840261
Energy: 0.5014553387366499
Energy: 0.49883458563258826
Energy: 0.6259204396579869
Energy: 0.5200848160696773

minimum gb energy = 0.49837370837636014 eV
minimum distance =  2.51215191996145 Angstroms
sigma value = 51


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

Energy: 0.8589093058293243
Energy: 0.7564454592354833
Energy: 0.8145414323143748
Energy: 0.7040949558571667
Energy: 0.896868283484151
Energy: 0.6786909749990154
Energy: 0.7308362033651303
Energy: 0.5227226076507292
Energy: 0.5226748541438294
Energy: 0.5304513617736641
Energy: 0.5256104711317857
Energy: 0.520771445752081
Energy: 0.7223376606216314
Energy: 0.5189603689205337
Energy: 0.5204907727818514
Energy: 0.5703392411153072
Energy: 0.543055838852919
Energy: 0.5088423784683591
Energy: 0.692427812977758
Energy: 0.5449656960453223
Energy: 0.4992187287125855
Energy: 0.6912391260416537
Energy: 0.6595780636328947
Energy: 0.6300388926288658
Energy: 0.6128377844718562
Energy: 0.5224469591068945
Energy: 0.5212153786812036
Energy: 0.5306103404602607
Energy: 0.5204820920343749
Energy: 0.5237726759509785
Energy: 0.6215554346283612
Energy: 0.5916757390238107
Energy: 0.614025741168165
Energy: 0.5689146565298404
Energy: 0.5900113385908629
Energy: 0.5536249664923638
Energy: 0.6379206906950686
Energy: 0.5396147426693211
Energy: 0.5406893347203953
Energy: 0.5537698285966217
Energy: 0.5261702341835062
Energy: 0.5197316211025945
Energy: 0.6056385784426725
Energy: 0.7227481843334869
Energy: 0.7124760646968278
Energy: 0.6852017824726626
Energy: 0.7250977960587925
Energy: 0.517959967377282
Energy: 0.5220786202656225
Energy: 0.6032921785733197
Energy: 0.5642774935145306
Energy: 0.5251746752685841
Energy: 0.6162753090249712
Energy: 0.5006507203943595
Energy: 0.5270570049126171
Energy: 0.5122785750187157
Energy: 0.5215513397375595
Energy: 0.5261438066606166
Energy: 0.5199365944412535
Energy: 0.529980557446048
Energy: 0.6784547302331512
Energy: 0.7464616056561977
Energy: 0.7466829696079346
Energy: 0.6942611426694297
Energy: 0.6968880151100367
Energy: 0.72468053181434
Energy: 0.5903485481290414
Energy: 0.5219414223785513
Energy: 0.5257730763867372
Energy: 0.5332972881529408
Energy: 0.6101963141778121
Energy: 0.5360733424508816
Energy: 0.5740119597314438
Energy: 0.5529618307706853
Energy: 0.5251633777747595
Energy: 0.5537022442652709
Energy: 0.5985745863720252
Energy: 0.5273813577568393
Energy: 0.592622825809331
Energy: 0.651487977514307
Energy: 0.651659068400229
Energy: 0.5686725223057453
Energy: 0.6511078918487017
Energy: 0.6512961382682758
Energy: 0.6453876724828802
Energy: 0.5503795245670078
Energy: 0.5737828658257004
Energy: 0.5536645470711896
Energy: 0.5589772344007846
Energy: 0.6098056378708273
Energy: 0.644609039960055
Energy: 0.5660041627996039
Energy: 0.5402688464036958
Energy: 0.6211963136931535
Energy: 0.5857963409285282
Energy: 0.5916945364120298
Energy: 0.7173544491582635
Energy: 0.5637146114636722
Energy: 0.565660823249296
Energy: 0.5550753280871902
Energy: 0.5207158672349312
Energy: 0.5200994771281492
Energy: 0.6704578437381377
Energy: 0.5372248121850083
Energy: 0.49916248453563966
Energy: 0.6145854343026702
Energy: 0.5366517700735146
Energy: 0.5002114624739551

minimum gb energy = 0.49916248453563966 eV
minimum distance =  2.63751880355994 Angstroms
sigma value = 19


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

Energy: 0.7268707809950091
Energy: 0.4917710976134641
Energy: 0.49191876149051106
Energy: 0.6097251739678092
Energy: 0.7675501891963087
Energy: 0.6098208448029147
Energy: 0.7016932889999765
Energy: 0.5083928399269063
Energy: 0.5213504211242365
Energy: 0.5392465952835975
Energy: 0.508602603259912
Energy: 0.5214729662702422
Energy: 0.6801078081017455
Energy: 0.5217232155353333
Energy: 0.5221676771036028
Energy: 0.5391046434187607
Energy: 0.5217701646390345
Energy: 0.5160218506070161
Energy: 0.6122652301056156
Energy: 0.5189603663331906
Energy: 0.5187874855049883
Energy: 0.5583840695591263
Energy: 0.6050990065615408
Energy: 0.5192698622347046
Energy: 0.6009019288368225
Energy: 0.5039055425280703
Energy: 0.514653249089979
Energy: 0.5256810537956462
Energy: 0.5040945630384156
Energy: 0.5028366935913403
Energy: 0.5527563242915747
Energy: 0.4906158680196773
Energy: 0.49349017602987416
Energy: 0.560161036865716
Energy: 0.4907241554877315
Energy: 0.5610668599254228
Energy: 0.6032019196797014
Energy: 0.49964374398208117
Energy: 0.4997100188861717
Energy: 0.5036374435524964
Energy: 0.5251047839500671
Energy: 0.5004717377506472
Energy: 0.5297186103753808
Energy: 0.6099919486685068
Energy: 0.6099824102087502
Energy: 0.5284357826647121
Energy: 0.6101583227525431
Energy: 0.5553196273543767
Energy: 0.5088016507904033
Energy: 0.49556449952057996
Energy: 0.4956087502839961
Energy: 0.5087685375458504
Energy: 0.5117376850756012
Energy: 0.5354559916872823
Energy: 0.5204809456867304
Energy: 0.502684161094346
Energy: 0.5147594970423977
Energy: 0.5212637254227495
Energy: 0.5255377044993425
Energy: 0.5147023441584587
Energy: 0.6931886196576387
Energy: 0.5690055035141028
Energy: 0.5702661236157207
Energy: 0.6941665194452112
Energy: 0.5693055694465258
Energy: 0.6947584854574547
Energy: 0.53076022317209
Energy: 0.5264539096695342
Energy: 0.5383367875646884
Energy: 0.514521333821676
Energy: 0.5388334830560826
Energy: 0.514826473022146
Energy: 0.5194403487340122
Energy: 0.4901465733637379
Energy: 0.5265464882730323
Energy: 0.5209911342141494
Energy: 0.5032299240876805
Energy: 0.5265070317341802
Energy: 0.6002822490973265
Energy: 0.5718718046110483
Energy: 0.56903194183349
Energy: 0.5028325809559436
Energy: 0.5716778287718876
Energy: 0.5687590763841339
Energy: 0.7024096083173685
Energy: 0.5336584740107877
Energy: 0.5266329567664042
Energy: 0.51118269136186
Energy: 0.5026758068501057
Energy: 0.5347780799501157
Energy: 0.7275105018898197
Energy: 0.5188199480035091
Energy: 0.5568932118061561
Energy: 0.6099921884546845
Energy: 0.5183076105235708
Energy: 0.6099180976408407
Energy: 0.6005745732028657
Energy: 0.49342382235503746
Energy: 0.503690961309816
Energy: 0.5391389689726441
Energy: 0.49311949536581323
Energy: 0.503940596781939
Energy: 0.6117197201358713
Energy: 0.5193117441784707
Energy: 0.5212925927681752
Energy: 0.5583800082031207
Energy: 0.5863451615936148
Energy: 0.5220191832615901
Energy: 0.6018152425106199
Energy: 0.514867774518134
Energy: 0.5393145636353192
Energy: 0.5586893554106384
Energy: 0.5218601231738863
Energy: 0.5389451509348515
Energy: 0.6012215107001122
Energy: 0.491063059234763
Energy: 0.5034605300937552
Energy: 0.502933213660811
Energy: 0.49083492390124545
Energy: 0.5268091062498136
Energy: 0.6256982624906017
Energy: 0.5027165510829523
Energy: 0.502836517415884
Energy: 0.5714710810267942
Energy: 0.5032664940214705
Energy: 0.5685622898612751
Energy: 0.600120252905833
Energy: 0.5388529642314188
Energy: 0.5439998932157661
Energy: 0.5037747273587002
Energy: 0.5391128892259345
Energy: 0.5152277886297947
Energy: 0.6260118232953857
Energy: 0.6097409242472609
Energy: 0.6104962159701547
Energy: 0.49198533890394713
Energy: 0.6097096543803069
Energy: 0.610189373270537
Energy: 0.5078734340657295
Energy: 0.4835967861249395
Energy: 0.521504798241896
Energy: 0.5082780169896896
Energy: 0.511180211593194
Energy: 0.5212946222289601
Energy: 0.5220673870980757
Energy: 0.5391907970805829
Energy: 0.5392681066199949
Energy: 0.5216274858215152
Energy: 0.5390372161339
Energy: 0.5148274040904388
Energy: 0.5968325808248084
Energy: 0.569880314364274
Energy: 0.5703930177939491
Energy: 0.529010425646846
Energy: 0.5701046709894242
Energy: 0.5189253156801648
Energy: 0.5631128975135967
Energy: 0.5254046775367427
Energy: 0.5029166824108209
Energy: 0.5148953388690232
Energy: 0.526884309714815
Energy: 0.5147581495707029
Energy: 0.49108916765289107
Energy: 0.4901533168167522
Energy: 0.5611118518413942
Energy: 0.49114300504100356
Energy: 0.48982079235746606
Energy: 0.5130660783498381
Energy: 0.5097504263844017
Energy: 0.48880569191984324
Energy: 0.4996806069660934
Energy: 0.5027638385943212
Energy: 0.5029215623845711
Energy: 0.4994096473381584
Energy: 0.6078207861841395
Energy: 0.5187197466820999
Energy: 0.5554829929774717
Energy: 0.610444961485663
Energy: 0.5284223885474316
Energy: 0.6099683842435308

minimum gb energy = 0.4835967861249395 eV
minimum distance =  2.52167077900504 Angstroms
sigma value = 27


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

Energy: 0.6137074123194398
Energy: 0.6612766826501468
Energy: 0.6614652447410779
Energy: 0.554332675965544
Energy: 1.0017193475384
Energy: 0.6123275302156038
Energy: 0.6863108417413097
Energy: 0.5282755722368934
Energy: 0.5319305614498009
Energy: 0.5792762186038021
Energy: 0.5304374526736361
Energy: 0.5371261448386337
Energy: 0.547822497352392
Energy: 0.5394488405999409
Energy: 0.5643820525498078
Energy: 0.5422598157962986
Energy: 0.5345720176930997
Energy: 0.5753169063238616
Energy: 0.47523578471346084
Energy: 0.5704295031054989
Energy: 0.585484195613876
Energy: 0.632368370628797
Energy: 0.5965719352605886
Energy: 0.5846005158155252
Energy: 0.6248025420567738
Energy: 0.5357137008801929
Energy: 0.5388673667714633
Energy: 0.5915934123922831
Energy: 0.5353264527528417
Energy: 0.5134793773545333
Energy: 0.533077923288391
Energy: 0.5538663607610885
Energy: 0.5545081016104781
Energy: 0.5312232218275005
Energy: 0.5504120028541107
Energy: 0.4746867864005715
Energy: 0.5300079241240284
Energy: 0.5015493715369127
Energy: 0.5004457340111569
Energy: 0.5305150858813277
Energy: 0.5230076219266697
Energy: 0.5088856541657988
Energy: 0.5636369060950187
Energy: 0.5844607278881251
Energy: 0.5934089989594313
Energy: 0.6190096464114326
Energy: 0.5841027166381777
Energy: 0.5448338886905132
Energy: 0.6049532292563642
Energy: 0.6570550471906452
Energy: 0.5234044778487691
Energy: 0.5454969399655999
Energy: 0.5827562546622101
Energy: 0.5634550327382216
Energy: 0.47472681155692026
Energy: 0.49958257905363174
Energy: 0.5174520538378506
Energy: 0.5126618328301078
Energy: 0.5084711953897959
Energy: 0.5169657525289117
Energy: 0.5477092603105937
Energy: 0.5171117191118729
Energy: 0.5178071545837557
Energy: 0.5141270413768013
Energy: 0.5170815231748125
Energy: 0.5163098876960757
Energy: 0.6863108417873769
Energy: 0.5089380327635282
Energy: 0.5083970826971438
Energy: 0.6510748622795801
Energy: 0.5093706144270564
Energy: 0.5086980903662374

minimum gb energy = 0.4746867864005715 eV
minimum distance =  2.63289646768038 Angstroms
sigma value = 9


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

Energy: 0.9872142217549695
Energy: 0.7909607412711868
Energy: 0.6224095403589845
Energy: 0.6681777413045344
Energy: 1.0098424766633398
Energy: 0.6413579344243956
Energy: 0.4272567412259209
Energy: 0.4645655798124087
Energy: 0.46429363160815856
Energy: 0.5013706836542339
Energy: 0.49942068790616473
Energy: 0.48757916412330116
Energy: 0.4703814577098656
Energy: 0.4718420861291256
Energy: 0.47558838196711656
Energy: 0.4776983726091765
Energy: 0.4583115010238057
Energy: 0.48478066810943926
Energy: 0.5848814309213854
Energy: 0.45419994740933056
Energy: 0.5158170216699556
Energy: 0.5162104870528194
Energy: 0.4736637286201538
Energy: 0.5158184804822359
Energy: 0.6379593591493251
Energy: 0.577123126693823
Energy: 0.5981229226870859
Energy: 0.6268578306506597
Energy: 0.576952306138636
Energy: 0.5685333072580344
Energy: 0.5549252161350089
Energy: 0.5688130498333039
Energy: 0.6613254399350789
Energy: 0.5535756325551897
Energy: 0.5720905525563564
Energy: 0.542537165195073
Energy: 0.4789915607577694
Energy: 0.48970491260539967
Energy: 0.4749583749279567
Energy: 0.47932173185161214
Energy: 0.48985406555250005
Energy: 0.47918228671965235
Energy: 0.5501160040849552
Energy: 0.5180278687712534
Energy: 0.5815397187101025
Energy: 0.5419057990846396
Energy: 0.5132311815194804
Energy: 0.5317221320442329
Energy: 0.6176889741201577
Energy: 0.5489711304252372
Energy: 0.5392825277940598
Energy: 0.6190136212335726
Energy: 0.531974885252697
Energy: 0.5273941890810575
Energy: 0.6273922180863187
Energy: 0.4910238397161807
Energy: 0.528058678048421
Energy: 0.5642373719885879
Energy: 0.5969325863222064
Energy: 0.5423242275214059
Energy: 0.4313665297166327
Energy: 0.4892446679858369
Energy: 0.5196250532855119
Energy: 0.5348552349032252
Energy: 0.48651280127096647
Energy: 0.5359528140185774
Energy: 0.5222313248760978
Energy: 0.48808262574040223
Energy: 0.5306567072435429
Energy: 0.5171325848200653
Energy: 0.4900995041527893
Energy: 0.4882507799818306
Energy: 0.8749275407736963
Energy: 0.6414489967371697
Energy: 0.5815651465849212
Energy: 0.6207334439232418
Energy: 0.7741880456849662
Energy: 0.6477573606449107
Energy: 0.5082666233049972
Energy: 0.5066787190872284
Energy: 0.5067304391053767
Energy: 0.4716673023956607
Energy: 0.48325680072987454
Energy: 0.5776491971010397
Energy: 0.47060896723926404
Energy: 0.47154413578250626
Energy: 0.47481389957460124
Energy: 0.47185480442347083
Energy: 0.4704131880884688
Energy: 0.5173296699064988
Energy: 0.4573787805125281
Energy: 0.4966991650898679
Energy: 0.4478881869457901
Energy: 0.45816425030887203
Energy: 0.477054601143928
Energy: 0.48381645969237597
Energy: 0.49953049875323663
Energy: 0.6014710768897336
Energy: 0.5754024851150958
Energy: 0.49946066882958035
Energy: 0.6050377912903289
Energy: 0.49934712819557403
Energy: 0.5620341733473402
Energy: 0.639714478773252
Energy: 0.6108586963282774
Energy: 0.6133408402971086
Energy: 0.6353994582077037
Energy: 0.5460669625186677
Energy: 0.47196862444466015
Energy: 0.4811937948818107
Energy: 0.4875118441173294
Energy: 0.448379473809073
Energy: 0.4698833530527451
Energy: 0.44755015836143436
Energy: 0.4678905203047056
Energy: 0.46328585440051284
Energy: 0.46142365507884114
Energy: 0.45148810539041473
Energy: 0.446783469466236
Energy: 0.4627530262809687
Energy: 0.47046453052011455
Energy: 0.44791757430586154
Energy: 0.4482319998323008
Energy: 0.4472538863690212
Energy: 0.4542493198333944
Energy: 0.45613403909085876
Energy: 0.8251111165679192
Energy: 0.5428076047017864
Energy: 0.6049674255915647
Energy: 0.679211164912695
Energy: 0.6126589967483895
Energy: 0.6480558406316883
Energy: 0.696286805895557
Energy: 0.49950325707045934
Energy: 0.46850283510585233
Energy: 0.5808906722002933
Energy: 0.4991977601391606
Energy: 0.5796350966195398
Energy: 0.4716958969017099
Energy: 0.47283470390082527
Energy: 0.47937064973423554
Energy: 0.4727075420921438
Energy: 0.4604986617903213
Energy: 0.4876212260799804
Energy: 0.6350135161143495
Energy: 0.4769216420420496
Energy: 0.503937280480857
Energy: 0.5296438322106496
Energy: 0.4770661210568061
Energy: 0.5283214935005326
Energy: 0.6169576684628584
Energy: 0.5285169373916737
Energy: 0.5633901670095905
Energy: 0.5441989897344277
Energy: 0.4997610065166806
Energy: 0.5867696040822064
Energy: 0.6067682525118313
Energy: 0.5818603190452566
Energy: 0.5789493908404653
Energy: 0.6071604491686866
Energy: 0.5846824539025298
Energy: 0.7003878020431857
Energy: 0.51737577314165
Energy: 0.5971898200186658
Energy: 0.587440151334397
Energy: 0.5214954364329665
Energy: 0.5243425859357952
Energy: 0.5301235404404022
Energy: 0.5118365033756913
Energy: 0.5483463936340414
Energy: 0.5450500507693822
Energy: 0.5082200415721341
Energy: 0.5552391132124082
Energy: 0.5197512140429614
Energy: 0.6249882483085956
Energy: 0.5181651264090242
Energy: 0.5821786981537213
Energy: 0.6222848455564057
Energy: 0.5270721135172265
Energy: 0.5269376434084423
Energy: 0.42899290912315446
Energy: 0.4817408575519978
Energy: 0.5273635000677835
Energy: 0.47691532445066115
Energy: 0.49214627765183333
Energy: 0.5549044447041018
Energy: 0.6257261993835541
Energy: 0.4979010697311986
Energy: 0.5001062937789053
Energy: 0.5652277330669311
Energy: 0.5242130898601085
Energy: 0.5422424440354484
Energy: 0.5474909394095181
Energy: 0.4835610332625802
Energy: 0.48619008502211525
Energy: 0.5239660372547323
Energy: 0.4813867494415774
Energy: 0.49709546413808575
Energy: 0.6711291040853883
Energy: 0.5359931096877337
Energy: 0.5419447722144888
Energy: 0.5995534228184419
Energy: 0.5312886991973823
Energy: 0.5260939409001794
Energy: 0.5788973817795757
Energy: 0.5512283809902004
Energy: 0.5564353704688315
Energy: 0.5617789707404647
Energy: 0.5060789864475697
Energy: 0.5868042247176591
Energy: 0.4742160048116651
Energy: 0.4674659196713592
Energy: 0.506495386002542
Energy: 0.47568882056493894
Energy: 0.46704968754143816
Energy: 0.5157753474632611
Energy: 0.45756997910960945
Energy: 0.5038417348918001
Energy: 0.4537468639941079
Energy: 0.45978886452194645
Energy: 0.508909842180839
Energy: 0.482061308566449
Energy: 0.4638784707817867
Energy: 0.539930863833918
Energy: 0.4951798941861097
Energy: 0.46383860306677904
Energy: 0.48467794848867984
Energy: 0.4637641350917046
Energy: 0.7858348050512397
Energy: 0.6451892861927541
Energy: 0.6473147013650257
Energy: 0.7869059332447464
Energy: 0.6452702166762835
Energy: 0.7140050020948991
Energy: 0.50837938476816
Energy: 0.5372841491874736
Energy: 0.5428774563298858
Energy: 0.49348126136484766
Energy: 0.49852577723206726
Energy: 0.512270000268866
Energy: 0.46728946782815706
Energy: 0.46207617494471015
Energy: 0.46266152286376666
Energy: 0.45075366515528836
Energy: 0.44976356421014074
Energy: 0.452311201364939
Energy: 0.47053578745155017
Energy: 0.46448204744534427
Energy: 0.45019568575532043
Energy: 0.4480024833428593
Energy: 0.4479249584139988
Energy: 0.449504853857663
Energy: 0.6886453049948043
Energy: 0.5173600685029358
Energy: 0.4829622722130574
Energy: 0.5778051350818166
Energy: 0.4992421238470855
Energy: 0.5718325989199541

minimum gb energy = 0.4272567412259209 eV
minimum distance =  2.56134819453756 Angstroms
sigma value = 57


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

Energy: 0.24921281386047675
Energy: 0.25591935565943313
Energy: 0.2555829820052002
Energy: 0.250652117182338
Energy: 0.2745879131204325
Energy: 0.25002818125563625
Energy: 0.24974043950701377
Energy: 0.2579943018778608
Energy: 0.2568681396425038
Energy: 0.26932464227112346
Energy: 0.2705150631713227
Energy: 0.2569982397256872
Energy: 0.2913071493139276
Energy: 0.27001269539218775
Energy: 0.2701527157240235
Energy: 0.2705702073336539
Energy: 0.2701002966851183
Energy: 0.26984471680510413
Energy: 0.29148727582194317
Energy: 0.26995445268448437
Energy: 0.27000406277352706
Energy: 0.2942304418956182
Energy: 0.26996171561305365
Energy: 0.26995293495919653
Energy: 0.2907506850261974
Energy: 0.2500911450357956
Energy: 0.2672390718710814
Energy: 0.2911324161281264
Energy: 0.24991248135616514
Energy: 0.27574206556889774
Energy: 0.2698836507099594
Energy: 0.24967915616818517
Energy: 0.2498100303607135
Energy: 0.2699211375437724
Energy: 0.2539945722586765
Energy: 0.26487534568024523
Energy: 0.2681831116210332
Energy: 0.2581062688532423
Energy: 0.27635936168935965
Energy: 0.26879273523263647
Energy: 0.270760181128528
Energy: 0.25729954123195803
Energy: 0.2699553097963614
Energy: 0.29407641412953345
Energy: 0.29413649762009697
Energy: 0.2700920824461541
Energy: 0.29373876262541915
Energy: 0.2701059622064966
Energy: 0.29031661203736053
Energy: 0.27730944927371826
Energy: 0.2774345749290771
Energy: 0.2707514157541513
Energy: 0.26996350392579077
Energy: 0.2701069853823337
Energy: 0.2535525445931669
Energy: 0.271274456312601
Energy: 0.26602198289840046
Energy: 0.25436948230966516
Energy: 0.2700228225710201
Energy: 0.2657553465537602
Energy: 0.24967612595996774
Energy: 0.25841340793530965
Energy: 0.25704392025526385
Energy: 0.24975348986347023
Energy: 0.2699064902226299
Energy: 0.26839502718284963
Energy: 0.29168543164388916
Energy: 0.2768339997255227
Energy: 0.27859258836865686
Energy: 0.29216943639440346
Energy: 0.2708006962576686
Energy: 0.2782939425781207
Energy: 0.7557665254821895
Energy: 0.6573552713169571
Energy: 0.651898081203586
Energy: 0.29381027843522745
Energy: 0.5725784363953023
Energy: 0.9129557641388335
Energy: 0.2907138332382077
Energy: 0.27155953691315077
Energy: 0.27800550938250296
Energy: 0.29135064544808553
Energy: 0.2703437773835671
Energy: 0.277773284015767
Energy: 0.4058459336565009
Energy: 0.24955974100672085
Energy: 0.24956908907167635
Energy: 0.2767335264213504
Energy: 0.2522339852927023
Energy: 0.25027012175211516
Energy: 0.27049865522628214
Energy: 0.27773729470425734
Energy: 0.25692215725928297
Energy: 0.2707034166692833
Energy: 0.24994844140612826
Energy: 0.2570609933352617
Energy: 0.26996105555920274
Energy: 0.2776174728752486
Energy: 0.27000288990072246
Energy: 0.270136000445606
Energy: 0.27042850370071186
Energy: 0.26981213339956495
Energy: 0.29349860714753306
Energy: 0.2954250047906594
Energy: 0.27014508392160624
Energy: 0.29314670541438886
Energy: 0.29390058379375716
Energy: 0.2699165209329635
Energy: 0.24972797786906123
Energy: 0.25848594278007136
Energy: 0.2760465491965951
Energy: 0.24980312956016829
Energy: 0.29114856567127917
Energy: 0.27629479575077265

minimum gb energy = 0.24921281386047675 eV
minimum distance =  2.70962459854242 Angstroms
sigma value = 11


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

Energy: 0.7812026206136077
Energy: 0.7740858866680739
Energy: 0.6464973337691258
Energy: 0.6157654754298276
Energy: 0.9957542034014557
Energy: 0.7989284445227792
Energy: 0.4436515575832911
Energy: 0.46098490769824413
Energy: 0.46423902409672246
Energy: 0.4418803367134415
Energy: 0.44076004637712063
Energy: 0.45758542667870916
Energy: 0.4260515729502421
Energy: 0.44187493935877087
Energy: 0.4451093408870927
Energy: 0.4325998223589031
Energy: 0.43209931067890556
Energy: 0.43483748294059027
Energy: 0.42190307319655823
Energy: 0.42669246124028093
Energy: 0.4484549377691823
Energy: 0.42901214447292213
Energy: 0.4371332177738514
Energy: 0.46284378901903167
Energy: 0.569839131278465
Energy: 0.5734301928122859
Energy: 0.5193120665320158
Energy: 0.4669263238264929
Energy: 0.4591313751422115
Energy: 0.4598881391290356
Energy: 0.5791036401184982
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Energy: 0.6512471456368418
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Energy: 0.45542432220657875
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Energy: 0.5318945802551003
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Energy: 0.48025987123023023
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Energy: 0.5096827369590395
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Energy: 0.44403467797357293
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Energy: 0.45576518479360956
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Energy: 0.4846217823275635
Energy: 0.581615923465566
Energy: 0.5513126351783666
Energy: 0.5454436260304952
Energy: 0.579036501265459
Energy: 0.6367339897470468
Energy: 0.5944923726160106
Energy: 0.6102708195132337
Energy: 0.42779308513051206
Energy: 0.49344231494593194
Energy: 0.6343525766881043
Energy: 0.4553510902761675
Energy: 0.4227294241687037
Energy: 0.593337904831942
Energy: 0.5874596872068523
Energy: 0.5811767868608712
Energy: 0.5562939735820807
Energy: 0.5818534973365111
Energy: 0.605780202972149
Energy: 0.6469960156611732
Energy: 0.45512297165380505
Energy: 0.4480563073017064
Energy: 0.4436397990974074
Energy: 0.4556037528258709
Energy: 0.4803856993309493
Energy: 0.6292321266162957
Energy: 0.4582889685339091
Energy: 0.45692726666483
Energy: 0.44111560425960367
Energy: 0.45842460195919177
Energy: 0.4604689531812489
Energy: 0.5184073945017968
Energy: 0.5383863976352783
Energy: 0.560524000814491
Energy: 0.5003327403027319
Energy: 0.5133942154966483
Energy: 0.5423753820515289
Energy: 0.6135651482579919
Energy: 0.5038940322199755
Energy: 0.4875634231858266
Energy: 0.6244048995947424
Energy: 0.4707289690787695
Energy: 0.5217137193225112
Energy: 0.6915176246075663
Energy: 0.5975901824107155
Energy: 0.5961243266176837
Energy: 0.6962176331102705
Energy: 0.7226581078705235
Energy: 0.6140059423604121
Energy: 0.4288916769785043
Energy: 0.45494105181780164
Energy: 0.43199238716846056
Energy: 0.429205376192631
Energy: 0.4511091102786089
Energy: 0.4565684082065824
Energy: 0.43248010016503424
Energy: 0.4952892976652575
Energy: 0.47249705406007525
Energy: 0.43263682618828947
Energy: 0.49295285943876693
Energy: 0.4645818811422462
Energy: 0.469539054266975
Energy: 0.45230512350358876
Energy: 0.46163995346149583
Energy: 0.46556090236813197
Energy: 0.4418020550659051
Energy: 0.46934411804757636
Energy: 0.6644856062417328
Energy: 0.4711885372445152
Energy: 0.46884933730437856
Energy: 0.4655989350524817
Energy: 0.5687256330813687
Energy: 0.45139863850797735

minimum gb energy = 0.42178253875739147 eV
minimum distance =  2.56003554032351 Angstroms
sigma value = 41


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

Energy: 0.736435279647835
Energy: 0.724118927773922
Energy: 0.7763730184343784
Energy: 0.6940584197725657
Energy: 1.0757363014602503
Energy: 0.565682436500655
Energy: 0.6562620487045341
Energy: 0.4923001622998938
Energy: 0.4949608744598019
Energy: 0.46009545470028196
Energy: 0.4767335957403375
Energy: 0.4987366891598336
Energy: 0.46785367442323594
Energy: 0.4866013090331075
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Energy: 0.4680532998461184
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Energy: 0.46083754641547486
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Energy: 0.4461637218407598
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Energy: 0.46942226263781817
Energy: 0.47392048550177546
Energy: 0.610424785103108
Energy: 0.5910075742367003
Energy: 0.4680763071691778
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Energy: 0.5870887344814214
Energy: 0.4620316181118726
Energy: 0.6539996933407017
Energy: 0.6834723401801721
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Energy: 0.4598993744679789
Energy: 0.527652254297823
Energy: 0.48859281985671427
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Energy: 0.5085597178058106
Energy: 0.5154982148362481
Energy: 0.5052113495837
Energy: 0.4847025537442193
Energy: 0.5204720747272724
Energy: 0.5990756574003696
Energy: 0.4576399571095993
Energy: 0.4842443717480922
Energy: 0.4601814394599272
Energy: 0.45345818757430756
Energy: 0.48297057218988193
Energy: 0.5965209027012832
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Energy: 0.5943084520678236
Energy: 0.5954493353511146
Energy: 0.5918108283904544
Energy: 0.5883566548335013
Energy: 0.4824799920142904
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Energy: 0.649505013818184
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Energy: 0.6196612299411746
Energy: 0.46055326912571976
Energy: 0.45887660481813697
Energy: 0.6124784297739435
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Energy: 0.4366750591579202
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Energy: 0.4447433531168893
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Energy: 0.5500401900409204
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Energy: 0.4827944210666044
Energy: 0.4597166879543728
Energy: 0.49127328748145915
Energy: 0.49083793088434596
Energy: 0.5612694328206905
Energy: 0.47926368491133997
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Energy: 0.7353077880170319
Energy: 0.6400383650658784
Energy: 0.6849129237420613
Energy: 0.6537676740188113
Energy: 0.5748263141423341
Energy: 0.5466601165984707
Energy: 0.6904155720800838
Energy: 0.4892028275359101
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Energy: 0.47329566198870654
Energy: 0.4886309663696064
Energy: 0.4698412890740912
Energy: 0.46596307825529565
Energy: 0.4841076659446689
Energy: 0.5021334015238
Energy: 0.4769326113472601
Energy: 0.4685992790782449
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Energy: 0.46813005289115056
Energy: 0.47804364120752063
Energy: 0.467240511420303
Energy: 0.46871905842387074
Energy: 0.4761811401935049
Energy: 0.4920163958476346
Energy: 0.5990997375344921
Energy: 0.4457038849808224
Energy: 0.4562408772091001
Energy: 0.46010906649591404
Energy: 0.4686957140953254
Energy: 0.4990832641203219
Energy: 0.7103216672215245
Energy: 0.6859064287043186
Energy: 0.6447865841190794
Energy: 0.7131538546531361
Energy: 0.7038398672321003
Energy: 0.6594835534026244
Energy: 0.5996259400780243
Energy: 0.49029543824117566
Energy: 0.487737153775867
Energy: 0.4696761431809463
Energy: 0.45173425383964355
Energy: 0.42948588116739894
Energy: 0.49929079677026406
Energy: 0.5422359280100462
Energy: 0.5054681763806473
Energy: 0.4997609527263007
Energy: 0.4759152727322612
Energy: 0.5214495773027816
Energy: 0.5988698606251782
Energy: 0.476183772441316
Energy: 0.49098083980282675
Energy: 0.4726041628273457
Energy: 0.45107068927110355
Energy: 0.4766383362952312
Energy: 0.5929157242646146
Energy: 0.47174521644062484
Energy: 0.4978884151297914
Energy: 0.5845971660083827
Energy: 0.48356186159929826
Energy: 0.47049753846166875
Energy: 0.5962995139382947
Energy: 0.49154539439330985
Energy: 0.4710084438986294
Energy: 0.5621697744833978
Energy: 0.6605366103019169
Energy: 0.5460552898854183
Energy: 0.6822614191832733
Energy: 0.4567097247143318
Energy: 0.4582636166140613
Energy: 0.6550335332589512
Energy: 0.423270077838405
Energy: 0.43714016744255385
Energy: 0.5852859222798694
Energy: 0.5697178394666885
Energy: 0.568579900649318
Energy: 0.5854119203964386
Energy: 0.5629423392695351
Energy: 0.533019913879665
Energy: 0.4495004709031108
Energy: 0.4599284132213697
Energy: 0.4423376613406131
Energy: 0.4499297095638239
Energy: 0.4458890990163566
Energy: 0.45092540825141586
Energy: 0.48584856613401756
Energy: 0.5462521659265069
Energy: 0.5145215893666237
Energy: 0.4859669998126008
Energy: 0.5464668556655519
Energy: 0.4953349552104875
Energy: 0.4593618856046019
Energy: 0.48501651317519767
Energy: 0.4858786237914162
Energy: 0.4599981511170613
Energy: 0.47565365184374525
Energy: 0.48850216944101005
Energy: 0.6900935229398326
Energy: 0.4986544865424562
Energy: 0.47066534443368946
Energy: 0.617531046458283
Energy: 0.6220343860614369
Energy: 0.4854622529753878

minimum gb energy = 0.423270077838405 eV
minimum distance =  2.58559717454501 Angstroms
sigma value = 33


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

Energy: 0.5609301834514901
Energy: 0.6217880204182631
Energy: 0.6226486207310479
Energy: 0.6185387651916359
Energy: 0.984154787811794
Energy: 0.6245621180393578
Energy: 0.6120330817948472
Energy: 0.5183977374468165
Energy: 0.467011781643717
Energy: 0.44671199290577424
Energy: 0.5045047140952607
Energy: 0.47757203017547734
Energy: 0.5004507324993775
Energy: 0.5197759086153431
Energy: 0.5389795575052961
Energy: 0.5342949036298192
Energy: 0.5081907546795127
Energy: 0.48495391018278106
Energy: 0.49888002274674664
Energy: 0.47196800012346185
Energy: 0.47568363249509155
Energy: 0.49597068867912614
Energy: 0.5061518848710145
Energy: 0.5681981681737696
Energy: 0.5033715508401758
Energy: 0.6193254222055392
Energy: 0.46642507498778324
Energy: 0.49789401439915026
Energy: 0.6888059371483701
Energy: 0.46563647997124985
Energy: 0.7607630680823965
Energy: 0.6032333887945621
Energy: 0.6028282960737044
Energy: 0.7915792091108727
Energy: 0.6890017488914224
Energy: 0.6012598622085288
Energy: 0.6121535907018502
Energy: 0.48605731058412677
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Energy: 0.494742831293739
Energy: 0.45004456797681763
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Energy: 0.5616424347345167
Energy: 0.5237942132607432
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Energy: 0.5556683213626746
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Energy: 0.5355344777870673
Energy: 0.44134858812481376
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Energy: 0.47061772007921354
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Energy: 0.4727907362898374
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Energy: 0.610064586363625
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Energy: 0.549960115042248
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Energy: 0.5002588993560351
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Energy: 0.7295671140515149
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Energy: 0.6418364757918745
Energy: 0.6636007458842638
Energy: 0.5700398584907211
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Energy: 0.5053391354892737
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Energy: 0.5770171488758308
Energy: 0.5271841839836436
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Energy: 0.5391354526625176
Energy: 0.4473559679612587
Energy: 0.5829187181402737
Energy: 0.4914131100056454
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Energy: 0.5201272150092592
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Energy: 0.5317377557547853
Energy: 0.5530446258258781
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Energy: 0.5615730413172193
Energy: 0.6860171284470898
Energy: 0.6123603426362347
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Energy: 0.47508276665835447
Energy: 0.8019062119435835
Energy: 0.6507970059751069
Energy: 0.6075839008016714
Energy: 0.7543424969750314
Energy: 0.5817848167960568
Energy: 0.610358333063365

minimum gb energy = 0.4349737372406889 eV
minimum distance =  2.65442971731134 Angstroms
sigma value = 67


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

Energy: 0.622260344234329
Energy: 0.3443484229988141
Energy: 0.34492119638928137
Energy: 0.6238879668416092
Energy: 0.8381086374941239
Energy: 0.6490970967842412
Energy: 0.6389043373959531
Energy: 0.32938642632460485
Energy: 0.32817700264070865
Energy: 0.4810604804416476
Energy: 0.3296249993551112
Energy: 0.3278706423586512
Energy: 0.47951578169969694
Energy: 0.31218671796210673
Energy: 0.32866297069763245
Energy: 0.4796607666586447
Energy: 0.31190069305592927
Energy: 0.3285497026998822
Energy: 0.4737744015586131
Energy: 0.32855802352829844
Energy: 0.32865664102362574
Energy: 0.47392932827904344
Energy: 0.32855912839237045
Energy: 0.3284151986800279
Energy: 0.4820196408435771
Energy: 0.32966392221258
Energy: 0.32894675248100325
Energy: 0.48134998910210913
Energy: 0.32879076927438056
Energy: 0.328223675501303
Energy: 0.5529629690191091
Energy: 0.32554390642027026
Energy: 0.5529430266327188
Energy: 0.5518785233172645
Energy: 0.6330849835652532
Energy: 0.5526167930772699
Energy: 0.6399659818787158
Energy: 0.3299810094968555
Energy: 0.3291539047459155
Energy: 0.6399325327818632
Energy: 0.5885129408198821
Energy: 0.3290153875713211

minimum gb energy = 0.31190069305592927 eV
minimum distance =  2.7381892274297 Angstroms
sigma value = 3


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

Energy: 0.7508575927381048
Energy: 0.7799256950258543
Energy: 0.6095688153713175
Energy: 0.7336276411185735
Energy: 0.8783124117839587
Energy: 0.6343526090794313
Energy: 0.6424330298937453
Energy: 0.513962258976346
Energy: 0.4861407547812434
Energy: 0.6247869904669456
Energy: 0.5206056156073462
Energy: 0.5092018973137455
Energy: 0.6086145417566223
Energy: 0.6102521021625641
Energy: 0.5511387399327046
Energy: 0.6024575046070264
Energy: 0.6150026172350687
Energy: 0.5437779522182381
Energy: 0.45448658437217987
Energy: 0.4847470119374046
Energy: 0.5014310205275349
Energy: 0.4552288727945688
Energy: 0.5113140456057772
Energy: 0.46597059643413635
Energy: 0.46209015274603693
Energy: 0.551890520541868
Energy: 0.5464216664842182
Energy: 0.4600851349557965
Energy: 0.6064580238874141
Energy: 0.5462570067328291
Energy: 0.6012024310997077
Energy: 0.6034583104502502
Energy: 0.5997557877223663
Energy: 0.5662783947840354
Energy: 0.6057749281560965
Energy: 0.6021585283542635
Energy: 0.5715051696429744
Energy: 0.5377752953089309
Energy: 0.5293958528285062
Energy: 0.5410191147205524
Energy: 0.5345557146414689
Energy: 0.5263917849789058
Energy: 0.7102274546210405
Energy: 0.7733328563950346
Energy: 0.56640025081202
Energy: 0.7112418475167916
Energy: 0.7738927971398577
Energy: 0.7133926487590008
Energy: 0.6013947074153733
Energy: 0.5248965652830291
Energy: 0.5226572043535261
Energy: 0.6149398343894885
Energy: 0.6056745915641812
Energy: 0.5331899172534821
Energy: 0.7140716950559282
Energy: 0.4797278094827117
Energy: 0.4703589252824694
Energy: 0.7047728495151845
Energy: 0.7379355710111025
Energy: 0.6153823845912634
Energy: 0.5616210272029042
Energy: 0.5247004627252881
Energy: 0.5226046192811404
Energy: 0.5855585301586815
Energy: 0.5184346249965858
Energy: 0.5324273326204643
Energy: 0.5943890766195942
Energy: 0.6232519969324449
Energy: 0.5354491724696796
Energy: 0.5958792708655246
Energy: 0.5887264422812754
Energy: 0.5400119131852632
Energy: 0.60994849508422
Energy: 0.5424093951851324
Energy: 0.5314387504762377
Energy: 0.605032882389055
Energy: 0.5279246592408867
Energy: 0.5317330707049797
Energy: 0.6424199677334137
Energy: 0.4516711734191279
Energy: 0.44800348217301983
Energy: 0.69750139980913
Energy: 0.4488115015173845
Energy: 0.4472272902501103
Energy: 0.6413083457932827
Energy: 0.6159402598335211
Energy: 0.6399380659080539
Energy: 0.6401427026617401
Energy: 0.5941351359054946
Energy: 0.6792104952340315
Energy: 0.5583237596642654
Energy: 0.46752165819503116
Energy: 0.46958548118368987
Energy: 0.5590547816955603
Energy: 0.6159244440162747
Energy: 0.4865820940760658
Energy: 0.7850705460363906
Energy: 0.5735851843217645
Energy: 0.5495639663803716
Energy: 0.7844798688571709
Energy: 0.7909800017452244
Energy: 0.6958391508308941
Energy: 0.5832418061455695
Energy: 0.5238014880878216
Energy: 0.4786710489542436
Energy: 0.574464794998086
Energy: 0.5389591997056563
Energy: 0.4980594207656698
Energy: 0.7688788923541587
Energy: 0.5989637875581182
Energy: 0.4811655916672255
Energy: 0.45977936064308533
Energy: 0.6066128858411023
Energy: 0.4645168150320615
Energy: 0.675033995285629
Energy: 0.5050095714614949
Energy: 0.497810582114143
Energy: 0.6760490128602935
Energy: 0.49967929214817214
Energy: 0.4656152005836965
Energy: 0.5461956216369844
Energy: 0.5075466903041781
Energy: 0.48771437106588617
Energy: 0.5656804006010957
Energy: 0.4992569471073441
Energy: 0.5509531551611471
Energy: 0.5842970760624986
Energy: 0.60782358185834
Energy: 0.634423090038192
Energy: 0.580513759266077
Energy: 0.6148042240671243
Energy: 0.5896519342089435
Energy: 0.49884180970937086
Energy: 0.5103773828707024
Energy: 0.5104662754570569
Energy: 0.49947850088855184
Energy: 0.5695067184729341
Energy: 0.503037467821954
Energy: 0.5144207748919154
Energy: 0.700096166700105
Energy: 0.6362795438633704
Energy: 0.552649825340618
Energy: 0.7014294346467146
Energy: 0.6081908510624314
Energy: 0.6229417820831549
Energy: 0.5057510002947203
Energy: 0.5015090779075866
Energy: 0.6241905878764091
Energy: 0.5389846928981764
Energy: 0.4956742847687398
Energy: 0.8023408316931043
Energy: 0.6372873570492105
Energy: 0.6226868409489856
Energy: 0.5790535551683345
Energy: 0.6342761699614978
Energy: 0.6012944727704976
Energy: 0.690654754178063
Energy: 0.6140164115676529
Energy: 0.6230360552523931
Energy: 0.5790054791383333
Energy: 0.61140940935964
Energy: 0.5178764348333038
Energy: 0.6139944184736753
Energy: 0.5094030216849991
Energy: 0.5020863717892751
Energy: 0.6330580755603104
Energy: 0.5130927963589204
Energy: 0.4959217478440466
Energy: 0.49874745588300445
Energy: 0.6146798395813674
Energy: 0.5343905403638356
Energy: 0.4997682265123784
Energy: 0.6167009066576397
Energy: 0.5086746052555094
Energy: 0.4545141571227071
Energy: 0.48533146180784625
Energy: 0.48048499112336335
Energy: 0.45504800302133314
Energy: 0.5528999279758103
Energy: 0.4741165111404733
Energy: 0.5357253122628136
Energy: 0.6096962439507418
Energy: 0.6413854934284402
Energy: 0.5356184475126774
Energy: 0.641509070764819
Energy: 0.644363846351846
Energy: 0.5807627598186921
Energy: 0.5327352421328799
Energy: 0.5219356541668604
Energy: 0.5840823547166168
Energy: 0.5346232911447532
Energy: 0.5359849218528111
Energy: 0.7177399425591955
Energy: 0.6148470027844753
Energy: 0.5645676717677468
Energy: 0.7211963963742319
Energy: 0.6123892605778329
Energy: 0.5448736500947942
Energy: 0.7278171040107048
Energy: 0.6018775847602632
Energy: 0.5318139070208346
Energy: 0.5386301039514744
Energy: 0.6063817978131053
Energy: 0.5140300717749818
Energy: 0.5929325020696703
Energy: 0.5249454269925485
Energy: 0.5229634995051461
Energy: 0.6120163155919309
Energy: 0.5158190930024561
Energy: 0.5378558133872969
Energy: 0.6616876063063614
Energy: 0.4776559904485127
Energy: 0.4702248122118784
Energy: 0.6609501174583648
Energy: 0.740489302956499
Energy: 0.6177938581702854
Energy: 0.5572547023778391
Energy: 0.5217386491646331
Energy: 0.4998418213344975
Energy: 0.5583140475603801
Energy: 0.6098930438163759
Energy: 0.5146460479181955
Energy: 0.6115640882102299
Energy: 0.5620873685818583
Energy: 0.6195221248040382
Energy: 0.6109065216112676
Energy: 0.5595285938819786
Energy: 0.6871245579065992
Energy: 0.5496466069253219
Energy: 0.45233704930801294
Energy: 0.4483353586912659
Energy: 0.5602395818963406
Energy: 0.4505622705236791
Energy: 0.4469681033350499
Energy: 0.6412513761442076
Energy: 0.4825026784772749
Energy: 0.485130879807993
Energy: 0.6385878096073747
Energy: 0.4773896070373955
Energy: 0.4826504533145267
Energy: 0.6877117715488871
Energy: 0.5802995530571101
Energy: 0.47208214232729256
Energy: 0.5666837873342274
Energy: 0.59943827560473
Energy: 0.4746512824044361
Energy: 0.5862748353749075
Energy: 0.5258092554773466
Energy: 0.5898935706463793
Energy: 0.5834875682803413
Energy: 0.5073560871435618
Energy: 0.6255238583580937
Energy: 0.7332924807581793
Energy: 0.5526267943098897
Energy: 0.5450574407800242
Energy: 0.7060360002284455
Energy: 0.7833457177690151
Energy: 0.5674782513089247
Energy: 0.543570308628649
Energy: 0.5130590712315529
Energy: 0.47928787908768056
Energy: 0.55653244803995
Energy: 0.622656660931215
Energy: 0.5015095340299761
Energy: 0.6721695432950315
Energy: 0.5090222883395381
Energy: 0.5176067832901101
Energy: 0.6727713167341964
Energy: 0.5297161841080734
Energy: 0.47808773803473165
Energy: 0.5441942680191834
Energy: 0.4925180463740457
Energy: 0.4923462344219562
Energy: 0.5460291513706851
Energy: 0.49038667521212315
Energy: 0.49355988058825634
Energy: 0.5924150653737066
Energy: 0.5902313844790202
Energy: 0.5925064573800118
Energy: 0.5824214919867513
Energy: 0.5818147990331635
Energy: 0.5917807501310464
Energy: 0.5065896602920773
Energy: 0.5935844098822974
Energy: 0.5668411388017566
Energy: 0.5051302389716256
Energy: 0.6332396054453191
Energy: 0.556114365076571
Energy: 0.5005624097940052
Energy: 0.4587110698451405
Energy: 0.5003745048186844
Energy: 0.5005925519052884
Energy: 0.6056420151982526
Energy: 0.5088782301393368
Energy: 0.632916172029805
Energy: 0.5403224146259025
Energy: 0.48444829728030203
Energy: 0.6276380296327358
Energy: 0.6697317886687937
Energy: 0.5069738873837842
Energy: 0.5763109089078977
Energy: 0.5151032758102704
Energy: 0.5026730398521803
Energy: 0.5694135948562967
Energy: 0.5507706370509716
Energy: 0.5109698455832588

minimum gb energy = 0.4469681033350499 eV
minimum distance =  2.58613991296027 Angstroms
sigma value = 81


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

Energy: 0.8282771860625084
Energy: 0.651210530684453
Energy: 0.5923522443774024
Energy: 0.7993485805907197
Energy: 0.8684004575899713
Energy: 0.5833793155244078
Energy: 0.6013905348853238
Energy: 0.5718930305484498
Energy: 0.4818578025101102
Energy: 0.6544180287986575
Energy: 0.5571003359769313
Energy: 0.47346161196417746
Energy: 0.5676307059960124
Energy: 0.5465203659703789
Energy: 0.49215972894648236
Energy: 0.5678664700570859
Energy: 0.6007204672582197
Energy: 0.5144426593954905
Energy: 0.4646440617365137
Energy: 0.559480337977115
Energy: 0.540799269067211
Energy: 0.46010761241652687
Energy: 0.6212894568599185
Energy: 0.46055035804003175
Energy: 0.46622670782075276
Energy: 0.5257443829059563
Energy: 0.5210003526020132
Energy: 0.4632333972363111
Energy: 0.5527765981584577
Energy: 0.5147600068740863
Energy: 0.5959383579233997
Energy: 0.5398990529036785
Energy: 0.5350518260382895
Energy: 0.5926075539488173
Energy: 0.6610807346987438
Energy: 0.5055785703441262
Energy: 0.6209234039693888
Energy: 0.4798483214341444
Energy: 0.5703326770902137
Energy: 0.6208553913338063
Energy: 0.48022679074754276
Energy: 0.4824820022158105
Energy: 0.7162167625537699
Energy: 0.7684943492125867
Energy: 0.8207387554979136
Energy: 0.7155305635221728
Energy: 0.7525732199927251
Energy: 0.5072103718837843
Energy: 0.6029914002356216
Energy: 0.5185148251140038
Energy: 0.5247377661876541
Energy: 0.6111696774008999
Energy: 0.5383095916111343
Energy: 0.5164231307061427
Energy: 0.5993852192824267
Energy: 0.47624024064251813
Energy: 0.4759606790856985
Energy: 0.6132135298047324
Energy: 0.7441092012659095
Energy: 0.4763297398729852
Energy: 0.525697004838966
Energy: 0.4721836881244793
Energy: 0.476067249990946
Energy: 0.5263669063978632
Energy: 0.47344162463253864
Energy: 0.5175964837726436
Energy: 0.610787280954402
Energy: 0.5890850593284672
Energy: 0.5066702948585918
Energy: 0.5385075214071792
Energy: 0.5492778682523082
Energy: 0.5062408292114665
Energy: 0.6016912979868972
Energy: 0.5689092525735524
Energy: 0.4951486126192829
Energy: 0.593739466290873
Energy: 0.5671202622256776
Energy: 0.48344355287176843
Energy: 0.6701640466981549
Energy: 0.48443204983039917
Energy: 0.48933307778994006
Energy: 0.6628890707654893
Energy: 0.4780217403551833
Energy: 0.4886617308924233
Energy: 0.6820150994987665
Energy: 0.6206677142719068
Energy: 0.6249528826799832
Energy: 0.6702923447513984
Energy: 0.6136892746298401
Energy: 0.7021223450016388
Energy: 0.47099059958716055
Energy: 0.4726764816011581
Energy: 0.4720226958219554
Energy: 0.471104667273056
Energy: 0.5380154627126849
Energy: 0.4707353448384248
Energy: 0.7896139225357491
Energy: 0.4932102611397783
Energy: 0.6391023949783942
Energy: 0.7907995426965964
Energy: 0.7162369891853108
Energy: 0.583655856242789
Energy: 0.4276909868105316
Energy: 0.4288042529230519
Energy: 0.42929659244887747
Energy: 0.4299889066610193
Energy: 0.4283358283414229
Energy: 0.42979416651333124
Energy: 0.7262922170461957
Energy: 0.5375635628160326
Energy: 0.42784388624537983
Energy: 0.42882086493253146
Energy: 0.5394564579980616
Energy: 0.4277079838525664
Energy: 0.7426945427783238
Energy: 0.4666369287268264
Energy: 0.4280551904936053
Energy: 0.42781690953758156
Energy: 0.4689994054668636
Energy: 0.42785094082891306
Energy: 0.4275305387718155
Energy: 0.42880624990726
Energy: 0.42926488687071535
Energy: 0.42935172975161684
Energy: 0.46748883625299986
Energy: 0.4298285627085736
Energy: 0.6252269179403362
Energy: 0.5813288136755151
Energy: 0.6302330275004262
Energy: 0.6263392228756349
Energy: 0.5957169286632776
Energy: 0.5078435458388909
Energy: 0.46772076094317394
Energy: 0.4693562734261142
Energy: 0.46961005643750786
Energy: 0.4689503202984138
Energy: 0.4741113419620707
Energy: 0.47108261407772556
Energy: 0.593782520994711
Energy: 0.6679363420953746
Energy: 0.5426255234598195
Energy: 0.5312213528666939
Energy: 0.671365637110582
Energy: 0.5224568394783021
Energy: 0.6183028867014343
Energy: 0.49713100634134694
Energy: 0.4935649315409958
Energy: 0.6105599825570096
Energy: 0.479484747526612
Energy: 0.49181601857243995
Energy: 0.7244343414182505
Energy: 0.47919669355707534
Energy: 0.47327366151647016
Energy: 0.7115520510084273
Energy: 0.47889927294452456
Energy: 0.5062272147227876
Energy: 0.7097454876213197
Energy: 0.5168643210405388
Energy: 0.5851286726810022
Energy: 0.7310251158450007
Energy: 0.4976109984848034
Energy: 0.5057642701526971
Energy: 0.5983499258219312
Energy: 0.46867962960241033
Energy: 0.5191514765535088
Energy: 0.5981415166847482
Energy: 0.5818812931884991
Energy: 0.5196267719357411
Energy: 0.6318879686895664
Energy: 0.7398281534796408
Energy: 0.7369546947059035
Energy: 0.5233637959514839
Energy: 0.47698750982571486
Energy: 0.4767260325829314
Energy: 0.5267798690501471
Energy: 0.48981641870594395
Energy: 0.5187933111871752
Energy: 0.5560787681487288
Energy: 0.5179578011999534
Energy: 0.5128485837103215
Energy: 0.5938095947853225
Energy: 0.6031715642571213
Energy: 0.6362569785612817
Energy: 0.5943683773443905
Energy: 0.5932028871844304
Energy: 0.5869488475119443
Energy: 0.5410722569634859
Energy: 0.4762909961461478
Energy: 0.47629906520521176
Energy: 0.5374971191020107
Energy: 0.48032225577763593
Energy: 0.4714839028936295
Energy: 0.6680123375197438
Energy: 0.5230520612522317
Energy: 0.5010179849996581
Energy: 0.6675041470031782
Energy: 0.5216454410533682
Energy: 0.504086613364595
Energy: 0.6070695275691025
Energy: 0.6139779350470178
Energy: 0.5175341461221513
Energy: 0.5053705294137174
Energy: 0.5929328960630118
Energy: 0.5196432417463875
Energy: 0.4651399939328937
Energy: 0.47716223576172023
Energy: 0.4777638058749597
Energy: 0.4643504150935173
Energy: 0.7087539721896706
Energy: 0.5401136932461064
Energy: 0.7256709575570582
Energy: 0.6713934705731416
Energy: 0.499566797730167
Energy: 0.725878235150183
Energy: 0.551048904176525
Energy: 0.7028735428361405
Energy: 0.5478069662053516
Energy: 0.6048067945302368
Energy: 0.48259758411875886
Energy: 0.5455280566624674
Energy: 0.6317477190380795
Energy: 0.47331312366325073
Energy: 0.8287435525743182
Energy: 0.6585297129444465
Energy: 0.576717398472538
Energy: 0.790067089191209
Energy: 0.6706961700576196
Energy: 0.7683675486074824

minimum gb energy = 0.4275305387718155 eV
minimum distance =  2.53987318235614 Angstroms
sigma value = 43


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

Energy: 0.7431922134059109
Energy: 0.7678051448402944
Energy: 0.6249939527873586
Energy: 0.7402939667340916
Energy: 0.915387950736749
Energy: 0.48620430338839765
Energy: 0.5786992812151933
Energy: 0.4913653892228827
Energy: 0.5368534517795679
Energy: 0.6021685066347525
Energy: 0.49152680025337947
Energy: 0.5097955163369532
Energy: 0.592762884020193
Energy: 0.4444062731239164
Energy: 0.47982571670869084
Energy: 0.593632258619524
Energy: 0.6779264740057782
Energy: 0.4935091390916631
Energy: 0.459878683232753
Energy: 0.4445341896972703
Energy: 0.4587045955998409
Energy: 0.4607215790933946
Energy: 0.5596800272136234
Energy: 0.4587859949636003
Energy: 0.4589804065287751
Energy: 0.5935770354599961
Energy: 0.5377519518954993
Energy: 0.4580859005078965
Energy: 0.5945917739735569
Energy: 0.5086505637163655
Energy: 0.5615355751256903
Energy: 0.4834656969322519
Energy: 0.5370798603342574
Energy: 0.5717845071698682
Energy: 0.5381496089615916
Energy: 0.63295340866901
Energy: 0.4805602897883056
Energy: 0.4581863875830932
Energy: 0.45829306331375824
Energy: 0.4809753539421156
Energy: 0.4591623600082349
Energy: 0.4584084154290076
Energy: 0.6489449037375518
Energy: 0.4613441452343477
Energy: 0.6617977013787563
Energy: 0.6476072173138429
Energy: 0.4614757055931948
Energy: 0.6968387964761765
Energy: 0.6694241862022867
Energy: 0.48181068536028193
Energy: 0.4589371648964455
Energy: 0.6618490330743271
Energy: 0.591590773982713
Energy: 0.4584247390380122
Energy: 0.6940444939442031
Energy: 0.6686324970332004
Energy: 0.5305405018450841
Energy: 0.7471086733330117
Energy: 0.7681067196842047
Energy: 0.567983009391425
Energy: 0.5685978769102551
Energy: 0.560440939493284
Energy: 0.5574131429497879
Energy: 0.5688998595208272
Energy: 0.6994274240010626
Energy: 0.5790367482847176
Energy: 0.6410446421509628
Energy: 0.5939674227375739
Energy: 0.4934594178349514
Energy: 0.7193533755327538
Energy: 0.6053190799933512
Energy: 0.4583736497916058
Energy: 0.6774982802046379
Energy: 0.5047758424884257
Energy: 0.510979076175537
Energy: 0.6756485250883969
Energy: 0.5034473918903997
Energy: 0.4724323499561261
Energy: 0.5533440451229327
Energy: 0.5057244781811623
Energy: 0.5411545293710752
Energy: 0.5123288862545886
Energy: 0.5030123369574768
Energy: 0.5362283147863072
Energy: 0.5505933427505361
Energy: 0.6142783881356215
Energy: 0.6427912683878713
Energy: 0.5479622865037154
Energy: 0.5702147263297126
Energy: 0.6381183816852393
Energy: 0.4441402504581486
Energy: 0.44458478653078837
Energy: 0.4435745784688653
Energy: 0.4442413006576394
Energy: 0.5352717017353441
Energy: 0.4436924922636397
Energy: 0.47843871902704443
Energy: 0.6678903980061153
Energy: 0.592683734358321
Energy: 0.44440060060678227
Energy: 0.606602051905395
Energy: 0.47281543456216674
Energy: 0.5745150821635553
Energy: 0.559933433564227
Energy: 0.5407585388605245
Energy: 0.5797234807719084
Energy: 0.5406064869963647
Energy: 0.5520179504111602
Energy: 0.6990097974134281
Energy: 0.5350998004663325
Energy: 0.5455824520747603
Energy: 0.5297976383592705
Energy: 0.5350427452788376
Energy: 0.4927808655171734
Energy: 0.7539154426919458
Energy: 0.6296317053961171
Energy: 0.5804975415928719
Energy: 0.5291504613648192
Energy: 0.6227332206852035
Energy: 0.49323545275274594
Energy: 0.5931467520167308
Energy: 0.5512185290663129
Energy: 0.551820691569585
Energy: 0.5940196748693031
Energy: 0.5869209642708357
Energy: 0.5454348845645595
Energy: 0.6933142577349634
Energy: 0.47271529007915697
Energy: 0.6689384024310027
Energy: 0.6939700557122601
Energy: 0.67724648603193
Energy: 0.5728058396026958
Energy: 0.5342833128265523
Energy: 0.5041407879814448
Energy: 0.5458367933500342
Energy: 0.534959668990592
Energy: 0.5803090763712274
Energy: 0.5476420331995612
Energy: 0.6210869113113059
Energy: 0.5731707654055667
Energy: 0.5669531259676173
Energy: 0.6182780364724833
Energy: 0.5659280967081808
Energy: 0.5380562002453411
Energy: 0.5878457502477591
Energy: 0.4441123267017715
Energy: 0.4440479984839716
Energy: 0.6154594219443065
Energy: 0.4442542020611271
Energy: 0.4715940256159019
Energy: 0.5960615752904165
Energy: 0.44380234092356224
Energy: 0.5250166532670812
Energy: 0.6120650347917523
Energy: 0.4441013960927269
Energy: 0.5250514679292273
Energy: 0.5660953514470143
Energy: 0.615966916708558
Energy: 0.5500376343337531
Energy: 0.6007686463037254
Energy: 0.5508834465738592
Energy: 0.5625173261261303
Energy: 0.5025169133171488
Energy: 0.5501337121201455
Energy: 0.5281242259700685
Energy: 0.5030396220408981
Energy: 0.5204942517952833
Energy: 0.49294431060799954
Energy: 0.6657584698340434
Energy: 0.6989439344349817
Energy: 0.49352322943450866
Energy: 0.6683069440453053
Energy: 0.6480076830388729
Energy: 0.64859421540368
Energy: 0.6055397637616051
Energy: 0.4928621300214336
Energy: 0.5094580166794531
Energy: 0.5868823692359765
Energy: 0.5109270253890796
Energy: 0.5133373672488536
Energy: 0.7527649144312225
Energy: 0.7473573648234146
Energy: 0.6637312773975629
Energy: 0.744980613960051
Energy: 0.7622646569347091
Energy: 0.6046798281517684

minimum gb energy = 0.4435745784688653 eV
minimum distance =  2.60762267465772 Angstroms
sigma value = 57


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

Energy: 0.586992232587905
Energy: 0.5218585378623438
Energy: 0.5236822468366086
Energy: 0.5880314892629622
Energy: 0.8748921018779288
Energy: 0.5259457202572257
Energy: 0.4344305641613344
Energy: 0.47399468886277524
Energy: 0.5598318160678852
Energy: 0.6846233914968453
Energy: 0.4717036279367108
Energy: 0.5605678588279014
Energy: 0.5957313874833038
Energy: 0.6217618412255906
Energy: 0.6229582445477875
Energy: 0.5762692126074125
Energy: 0.6058123315484837
Energy: 0.6159504666033326
Energy: 0.47661068511404286
Energy: 0.612347390021784
Energy: 0.5257271773591272
Energy: 0.4749113682485061
Energy: 0.623875615239525
Energy: 0.46773046532343787
Energy: 0.4760943042624829
Energy: 0.627391917139462
Energy: 0.526438255152895
Energy: 0.467588757191698
Energy: 0.6120995199130076
Energy: 0.5281188428340903
Energy: 0.43330725883687504
Energy: 0.6049307283362902
Energy: 0.6068084914532035
Energy: 0.6099798438920465
Energy: 0.5151336762071945
Energy: 0.5268274706197662
Energy: 0.6646453545897605
Energy: 0.4697839791843519
Energy: 0.46873067483018854
Energy: 0.4708147599570639
Energy: 0.4675672682073252
Energy: 0.4676233892395263
Energy: 0.556974521470199
Energy: 0.6195902547496029
Energy: 0.6171494183740776
Energy: 0.5551887165419823
Energy: 0.5899606191983016
Energy: 0.6168265018396232
Energy: 0.4700691533939011
Energy: 0.5597771505715693
Energy: 0.5607374368162996
Energy: 0.4706660057306407
Energy: 0.5305315871616173
Energy: 0.5622273745373786
Energy: 0.6952545189421843
Energy: 0.6667878831897003
Energy: 0.6619491461164135
Energy: 0.6930054460764006
Energy: 0.6788284381169495
Energy: 0.6556643615947245
Energy: 0.5303253707504483
Energy: 0.6037220372762241
Energy: 0.5178702498321316
Energy: 0.5302319278246174
Energy: 0.6856812138995441
Energy: 0.5603101662211714
Energy: 0.7565123784470419
Energy: 0.5323363706489197
Energy: 0.47402380237895875
Energy: 0.7126417738259282
Energy: 0.5311922715136123
Energy: 0.5011366502006563
Energy: 0.7276523345469006
Energy: 0.5659785351010719
Energy: 0.5727624076865566
Energy: 0.7358144965044697
Energy: 0.5290639105296101
Energy: 0.5014206974225728
Energy: 0.5298831653550528
Energy: 0.4736891129856323
Energy: 0.514901660872986
Energy: 0.6086460212528596
Energy: 0.470358175152083
Energy: 0.5607454091652468
Energy: 0.5795399720875569
Energy: 0.6202160788105109
Energy: 0.6198891898147141
Energy: 0.5426483738134522
Energy: 0.5839439185801703
Energy: 0.6199875641986217
Energy: 0.4698777781368135
Energy: 0.4479581005004317
Energy: 0.5263646688141883
Energy: 0.4668177765456219
Energy: 0.5256416234244543
Energy: 0.4693271950982203
Energy: 0.5158754435686056
Energy: 0.6330095508455541
Energy: 0.6217349381263162
Energy: 0.5427281254362677
Energy: 0.5156842059953656
Energy: 0.617726018526266
Energy: 0.46754999903701955
Energy: 0.4678870061025018
Energy: 0.5334136833939578
Energy: 0.5919154435336852
Energy: 0.4669045529218517
Energy: 0.5274321320982637
Energy: 0.6843774566312831
Energy: 0.4695066714435842
Energy: 0.4693210110509814
Energy: 0.6649462301280534
Energy: 0.46968249988043353
Energy: 0.4706747160783708
Energy: 0.5091064471272047
Energy: 0.6136417901847873
Energy: 0.5627793037586655
Energy: 0.6691047076870333
Energy: 0.5945439035215919
Energy: 0.5652645169970898
Energy: 0.4710728666708005
Energy: 0.4723237579172332
Energy: 0.5632567870298131
Energy: 0.47107860265088003
Energy: 0.5262608476841437
Energy: 0.5169502210212721
Energy: 0.755835750856023
Energy: 0.6717264625582668
Energy: 0.665997559850895
Energy: 0.7088858157011532
Energy: 0.6628477911673737
Energy: 0.6081878207725643
Energy: 0.5303225041143336
Energy: 0.47191471230567905
Energy: 0.564732919976633
Energy: 0.5303745363615746
Energy: 0.5304849910061735
Energy: 0.5148138439337571
Energy: 0.7268849015824521
Energy: 0.623840802660775
Energy: 0.5747614180198418
Energy: 0.7351401762385491
Energy: 0.5950654845075001
Energy: 0.5032259596892436

minimum gb energy = 0.43330725883687504 eV
minimum distance =  2.62706748516917 Angstroms
sigma value = 17


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

Energy: 0.5945735341932843
Energy: 0.5813310909234208
Energy: 0.583197924056159
Energy: 0.5957589245881548
Energy: 0.8189928018876879
Energy: 0.5776311676902708
Energy: 0.6694179352963624
Energy: 0.5568537662265026
Energy: 0.5584144290479389
Energy: 0.6354584842590543
Energy: 0.5635559272492355
Energy: 0.5821242651248789
Energy: 0.5728513860332146
Energy: 0.6037587712631778
Energy: 0.590274622120872
Energy: 0.5709237832519569
Energy: 0.6113557103891173
Energy: 0.4506863656700355
Energy: 0.4954264628632146
Energy: 0.589467479452775
Energy: 0.4509710666588456
Energy: 0.4890939229039139
Energy: 0.6328632176300166
Energy: 0.4849859532490103
Energy: 0.49471821136481925
Energy: 0.5839742168724035
Energy: 0.5741790031805931
Energy: 0.4946965730296189
Energy: 0.5629092714713553
Energy: 0.574581441958564
Energy: 0.5577987027807223
Energy: 0.44483792768760444
Energy: 0.4448851631338347
Energy: 0.5591330112317837
Energy: 0.44461129464382776
Energy: 0.5688355836232436
Energy: 0.4968982880531851
Energy: 0.44534778784520407
Energy: 0.4443756722281299
Energy: 0.49697732128613054
Energy: 0.4463201877584299
Energy: 0.5044193071314792
Energy: 0.5466799146873318
Energy: 0.5758833578992444
Energy: 0.5830180960899215
Energy: 0.5467816611036816
Energy: 0.5524439359094675
Energy: 0.5770858087532968
Energy: 0.44560599983349414
Energy: 0.5531973332862302
Energy: 0.4460954175417943
Energy: 0.44633064052865573
Energy: 0.5017157183004448
Energy: 0.44468237671408245
Energy: 0.44499924727689083
Energy: 0.588852881699552
Energy: 0.5772725913125264
Energy: 0.4449697254827425
Energy: 0.5894396768372047
Energy: 0.5015139746899703
Energy: 0.5563021675522835
Energy: 0.5920289921370984
Energy: 0.5784257167504321
Energy: 0.5618087588457709
Energy: 0.4950272118426001
Energy: 0.5094608812306838
Energy: 0.6196809224665483
Energy: 0.4884707569381296
Energy: 0.4868596575869124
Energy: 0.6610326315183116
Energy: 0.4880424320574016
Energy: 0.4857881541506304
Energy: 0.575161235732564
Energy: 0.5903318869684356
Energy: 0.6265231676249385
Energy: 0.584029398536834
Energy: 0.5763323085129843
Energy: 0.490284265380273
Energy: 0.5988564763701522
Energy: 0.4856746472405517
Energy: 0.5561470298898986
Energy: 0.5851357111672648
Energy: 0.5252843229441362
Energy: 0.5642326915559285
Energy: 0.6519175079609859
Energy: 0.6498990884248409
Energy: 0.6442879331643694
Energy: 0.6531166483883081
Energy: 0.6560659314636912
Energy: 0.5845136481977707
Energy: 0.6727652157385283
Energy: 0.4857067598554871
Energy: 0.5351987418304823
Energy: 0.6574320194328208
Energy: 0.6108278134766765
Energy: 0.5621111147694849
Energy: 0.6185226997656608
Energy: 0.6144971798950131
Energy: 0.6050125303604476
Energy: 0.60528346021255
Energy: 0.5813556677507191
Energy: 0.5189531864237311

minimum gb energy = 0.4443756722281299 eV
minimum distance =  2.58073252670489 Angstroms
sigma value = 17


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

Energy: 0.6052292865150646
Energy: 0.5455955328166782
Energy: 0.5114256851142798
Energy: 0.576755850304607
Energy: 0.7484505555152349
Energy: 0.575498082385235
Energy: 0.6322232275096149
Energy: 0.4949799482622673
Energy: 0.5349734845412818
Energy: 0.6062445450943347
Energy: 0.5210200537720454
Energy: 0.5526242770131394
Energy: 0.5504466275061827
Energy: 0.5293124426032666
Energy: 0.4446220982791628
Energy: 0.5457539365243634
Energy: 0.5496323974129442
Energy: 0.5458483307404342
Energy: 0.481639058104197
Energy: 0.5618899752616013
Energy: 0.5254672129365655
Energy: 0.47779381511541774
Energy: 0.6306340678470254
Energy: 0.46049122693961086
Energy: 0.4834118385561847
Energy: 0.49967075050717924
Energy: 0.4979395904605602
Energy: 0.4817716323800811
Energy: 0.5120658175282301
Energy: 0.5469976573108951
Energy: 0.5488756972983231
Energy: 0.4341714985334579
Energy: 0.5366756452779324
Energy: 0.5445880466740859
Energy: 0.43393146589290676
Energy: 0.5490980694215808
Energy: 0.4804202024333294
Energy: 0.4372745323826616
Energy: 0.43409731967884596
Energy: 0.6274010834319104
Energy: 0.43604115333212856
Energy: 0.4811696324685896
Energy: 0.5075238887749574
Energy: 0.5193282816187542
Energy: 0.5366899269892337
Energy: 0.509194520095606
Energy: 0.524460414918501
Energy: 0.557926399409998
Energy: 0.4201330042482645
Energy: 0.5220945125999211
Energy: 0.41974615302237234
Energy: 0.4207492611655789
Energy: 0.5768956267363488
Energy: 0.4187622882148435
Energy: 0.4184999381151359
Energy: 0.5249312898065555
Energy: 0.5174173856706655
Energy: 0.41854959296777894
Energy: 0.5225206184378778
Energy: 0.5156042209193904
Energy: 0.5152971995048714
Energy: 0.418669580016996
Energy: 0.5096344745646418
Energy: 0.5126702873611956
Energy: 0.4187986455444324
Energy: 0.5090672132956962
Energy: 0.5800478951514175
Energy: 0.42303551366361813
Energy: 0.4188921065522585
Energy: 0.5833015450453797
Energy: 0.4207840803626577
Energy: 0.4198984313112069
Energy: 0.5433624265786796
Energy: 0.5154195662622058
Energy: 0.5496696349498751
Energy: 0.5367093728132558
Energy: 0.519160285850311
Energy: 0.5270516522718927
Energy: 0.43436073919219925
Energy: 0.5394962448332559
Energy: 0.5229426623748392
Energy: 0.4353490206888896
Energy: 0.5970531687878069
Energy: 0.4342007217886943
Energy: 0.47819205841873774
Energy: 0.5351674314691205
Energy: 0.5370797358612848
Energy: 0.43360257729465096
Energy: 0.5364480119645327
Energy: 0.5592735672370948
Energy: 0.5160802089670803
Energy: 0.48393811096582595
Energy: 0.5504254815669706
Energy: 0.5378066565341098
Energy: 0.4815138906002597
Energy: 0.4901661176476819
Energy: 0.6044703980354644
Energy: 0.4766757969329742
Energy: 0.5054275874264381
Energy: 0.5908531924643352
Energy: 0.5258854292221041
Energy: 0.44921580563047303
Energy: 0.5429566329352309
Energy: 0.5582460279666555
Energy: 0.5364199768812132
Energy: 0.5411611191983386
Energy: 0.5460556577689369
Energy: 0.5424192982249658
Energy: 0.616641609415646
Energy: 0.5253094388660667
Energy: 0.5586221967390795
Energy: 0.6096168729055076
Energy: 0.6456823533607464
Energy: 0.5845441876498536
Energy: 0.6465198751334743
Energy: 0.566790238768751
Energy: 0.5644553619698458
Energy: 0.6406449053639516
Energy: 0.5335481327140471
Energy: 0.5353203397223535
Energy: 0.5839627694873419
Energy: 0.4757467071252836
Energy: 0.5741631174577332
Energy: 0.605310840663363
Energy: 0.5235420796551947
Energy: 0.475293745624751
Energy: 0.5987826318762727
Energy: 0.5751169227528827
Energy: 0.557103809801231
Energy: 0.5763791946202174
Energy: 0.5521619320907636
Energy: 0.4458107686191003
Energy: 0.5933972735980936
Energy: 0.5046536070562028
Energy: 0.5487817919872888
Energy: 0.5974516780750393
Energy: 0.5189221416183374
Energy: 0.5343433937854926
Energy: 0.546301830513569
Energy: 0.6266541119889111
Energy: 0.5558992948017467
Energy: 0.5437132407420516
Energy: 0.6055896418455621
Energy: 0.4753855032337373
Energy: 0.48792604113866517
Energy: 0.5462604246471062
Energy: 0.5504248496915763
Energy: 0.4882836638746083
Energy: 0.5452356854721704
Energy: 0.5083768495795911
Energy: 0.47920859358980855
Energy: 0.4897609915533062
Energy: 0.4912590374706177
Energy: 0.480094981880287
Energy: 0.47597816999554193
Energy: 0.5040592442304218
Energy: 0.5495492196860756
Energy: 0.5237750271567558
Energy: 0.559612573712716
Energy: 0.5460876019675686
Energy: 0.5250710306528124
Energy: 0.5469184462269019
Energy: 0.5745971008183444
Energy: 0.43675626354800745
Energy: 0.43413830446169643
Energy: 0.5779041933626015
Energy: 0.435882441805103
Energy: 0.43418949963401776
Energy: 0.5030301109722106
Energy: 0.5305521315517537
Energy: 0.5202552411615543
Energy: 0.5032398159938442
Energy: 0.4351367743623294
Energy: 0.5273001923119498
Energy: 0.4247162552334162
Energy: 0.5194348599606451
Energy: 0.5366074909646449
Energy: 0.42537590810233744
Energy: 0.5231290333675419
Energy: 0.41970238791457865
Energy: 0.42069828092144657
Energy: 0.519332765623387
Energy: 0.5113223322362644
Energy: 0.421333228876796
Energy: 0.5320598960702819
Energy: 0.4673155902510693
Energy: 0.5127156817641907
Energy: 0.5312920858024475
Energy: 0.5307325940217725
Energy: 0.5158140376402213
Energy: 0.5247066012998617
Energy: 0.5471988231521732
Energy: 0.5776774347045038
Energy: 0.4211343187012888
Energy: 0.4186730427385391
Energy: 0.5624798268995456
Energy: 0.4202570016948999
Energy: 0.4188268365064
Energy: 0.5376108326027157
Energy: 0.4671783423197197
Energy: 0.519212622441707
Energy: 0.5350952624902758
Energy: 0.4923838384945687
Energy: 0.5342679525798103
Energy: 0.4375573766113884
Energy: 0.5460521571148267
Energy: 0.5265709344864306
Energy: 0.4380210338526955
Energy: 0.5011495191686284
Energy: 0.523726596153062
Energy: 0.43819565131807353
Energy: 0.5345524570512761
Energy: 0.5404775526401335
Energy: 0.4387428092296711
Energy: 0.5361760347416856
Energy: 0.434099363728554
Energy: 0.5172994551091183
Energy: 0.5568004432112791
Energy: 0.5519259455493446
Energy: 0.5192010564686236
Energy: 0.5478870165763766
Energy: 0.5428131014451115
Energy: 0.5855072756392912
Energy: 0.4913612986261894
Energy: 0.476261185202082
Energy: 0.5872143706904126
Energy: 0.477459806232822
Energy: 0.4761755112221748
Energy: 0.5702079688112037
Energy: 0.5626724815514791
Energy: 0.5613419151546624
Energy: 0.5596368785042071
Energy: 0.5559923030106242
Energy: 0.565676947982116
Energy: 0.6043062765448495
Energy: 0.4793679021974
Energy: 0.47560183554402996
Energy: 0.5915317853673118
Energy: 0.5411410846789986
Energy: 0.5959538560644293
Energy: 0.5925015569947093
Energy: 0.5650353693944457
Energy: 0.5907376596063496
Energy: 0.5854532785114218
Energy: 0.5668874971988107
Energy: 0.5657053243138337
Energy: 0.6008276836377
Energy: 0.5725278845824644
Energy: 0.6128055409378884
Energy: 0.6023554813323907
Energy: 0.6211315387129893
Energy: 0.49113752782320064
Energy: 0.603278731732872
Energy: 0.5284136079720076
Energy: 0.5343695170420109
Energy: 0.5999160643575792
Energy: 0.550554154533764
Energy: 0.537293382927366

minimum gb energy = 0.4184999381151359 eV
minimum distance =  2.57788215125188 Angstroms
sigma value = 57


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

Energy: 0.5391579818501098
Energy: 0.5766017999498694
Energy: 0.554395187783242
Energy: 0.5398927568217535
Energy: 0.7033672565776047
Energy: 0.5415578633379671
Energy: 0.5779220000217768
Energy: 0.47769181884930945
Energy: 0.46512844410854154
Energy: 0.5260149179388294
Energy: 0.481800942725338
Energy: 0.5297129085413417
Energy: 0.5196888962279345
Energy: 0.5154273765543745
Energy: 0.5098151060240581
Energy: 0.5235721679545194
Energy: 0.5198925110039666
Energy: 0.516720202403365
Energy: 0.5640649277573023
Energy: 0.5184145243987953
Energy: 0.4976243298320705
Energy: 0.46285577083869767
Energy: 0.5205528918113745
Energy: 0.48067767211641
Energy: 0.4910585784411968
Energy: 0.44461834165473196
Energy: 0.4266789743399879
Energy: 0.5122337606071556
Energy: 0.47196796596942286
Energy: 0.5210135718228944
Energy: 0.5116411083206012
Energy: 0.4637165230786937
Energy: 0.5086209102537618
Energy: 0.5042274108530614
Energy: 0.4524601505842598
Energy: 0.5024093142553762
Energy: 0.5416039903649661
Energy: 0.42477735414053064
Energy: 0.42722081363415443
Energy: 0.5614913406582649
Energy: 0.42434366838380955
Energy: 0.47406799189523907
Energy: 0.4893185609208949
Energy: 0.4974860676721797
Energy: 0.49230125447798695
Energy: 0.49038208646364073
Energy: 0.49871704610574175
Energy: 0.5069897242284682
Energy: 0.40269173410614006
Energy: 0.5136830007247715
Energy: 0.4013470936925778
Energy: 0.4034814984911366
Energy: 0.5282105299307963
Energy: 0.40857862321048266
Energy: 0.41370324576219364
Energy: 0.4863348797444155
Energy: 0.48331245488850705
Energy: 0.41394609036927754
Energy: 0.5118309553358865
Energy: 0.48817579939643224
Energy: 0.4839243222761239
Energy: 0.40073972439297867
Energy: 0.47094485713621603
Energy: 0.4883548747959241
Energy: 0.3991062460660887
Energy: 0.4882727890625172
Energy: 0.5303225891199252
Energy: 0.396801300414851
Energy: 0.3983994579616088
Energy: 0.5305470064800385
Energy: 0.3956440234648557
Energy: 0.4784477983309999
Energy: 0.499763160067847
Energy: 0.49458538532652524
Energy: 0.5184203903129027
Energy: 0.4926720731606747
Energy: 0.48538442004078636
Energy: 0.5112536555088322
Energy: 0.3915311366349642
Energy: 0.48282029608159927
Energy: 0.3915954075858831
Energy: 0.39236058883719055
Energy: 0.5381241888562042
Energy: 0.39813629825394226
Energy: 0.42588831282212236
Energy: 0.4904879279032228
Energy: 0.4891594448210977
Energy: 0.3914595568092045
Energy: 0.49527886644702446
Energy: 0.49341112836426093
Energy: 0.5061973439238535
Energy: 0.4122117841141625
Energy: 0.4810035866351855
Energy: 0.4771442555290748
Energy: 0.4114464927985845
Energy: 0.47640891981457734
Energy: 0.5412253379449079
Energy: 0.40632450442400747
Energy: 0.4335950631125635
Energy: 0.5139234802445758
Energy: 0.405946792874472
Energy: 0.48663850861212726
Energy: 0.5247372927845532
Energy: 0.4725184464156563
Energy: 0.5174947616804851
Energy: 0.5188187179898285
Energy: 0.4784460265191977
Energy: 0.5042405963804089
Energy: 0.4208091452787324
Energy: 0.5084158313931163
Energy: 0.4208204628139252
Energy: 0.4216032595240528
Energy: 0.5503187381150387
Energy: 0.4274219502860325
Energy: 0.5057754647518293
Energy: 0.5147562440105444
Energy: 0.519476199471942
Energy: 0.5147431914061965
Energy: 0.5098749996534657
Energy: 0.5478306983246942
Energy: 0.49590830732715546
Energy: 0.4704618299054331
Energy: 0.4895120870333989
Energy: 0.4753450886226391
Energy: 0.4685589427274566
Energy: 0.5192368886355215
Energy: 0.552109076150342
Energy: 0.4872114670043166
Energy: 0.4692766603655086
Energy: 0.5254636180587803
Energy: 0.4812153912818944
Energy: 0.5174126578784276
Energy: 0.518582521665757
Energy: 0.577796419619162
Energy: 0.4792242374734461
Energy: 0.5151343397191095
Energy: 0.5507988213794046
Energy: 0.5255571819265372
Energy: 0.5652754802570426
Energy: 0.5746856040819459
Energy: 0.5353636982371173
Energy: 0.4903321245984563
Energy: 0.5781321409985811
Energy: 0.4915485845350665
Energy: 0.5924788028178297
Energy: 0.5337051026457208
Energy: 0.5453126882709944
Energy: 0.5927482919672974
Energy: 0.5345751262498988
Energy: 0.518923280212874
Energy: 0.56308912230074
Energy: 0.46403818507315386
Energy: 0.5383893991229447
Energy: 0.5268057854840967
Energy: 0.499933543537538
Energy: 0.4670054481072302
Energy: 0.5405192723469083
Energy: 0.529713975020228
Energy: 0.5063801605915227
Energy: 0.5368321319998328
Energy: 0.523755760454862
Energy: 0.5390447094480818

minimum gb energy = 0.3914595568092045 eV
minimum distance =  2.58898437379464 Angstroms
sigma value = 43


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

Energy: 0.48748242549138304
Energy: 0.460584911876818
Energy: 0.4743102593239552
Energy: 0.48826383168946624
Energy: 0.5933399197268097
Energy: 0.4567251358694461
Energy: 0.5355587368588709
Energy: 0.4714672208508873
Energy: 0.47449403981341
Energy: 0.5053864420505186
Energy: 0.45225542172335587
Energy: 0.41143344559640593
Energy: 0.49930928046965517
Energy: 0.4354627755262385
Energy: 0.44945200693525483
Energy: 0.4979804090654558
Energy: 0.4399173710718525
Energy: 0.43554123191002003
Energy: 0.4255111797972758
Energy: 0.4519881077634349
Energy: 0.4154260625147641
Energy: 0.46977907312912004
Energy: 0.5090035512683775
Energy: 0.4225547915021236
Energy: 0.46884689291582365
Energy: 0.39404682133028696
Energy: 0.4553598548429647
Energy: 0.4502763301072282
Energy: 0.43145505869417544
Energy: 0.45892308755004335
Energy: 0.45357600303085394
Energy: 0.4120091468023161
Energy: 0.46481829059882845
Energy: 0.44542096202759734
Energy: 0.4104146173107531
Energy: 0.451551294618032
Energy: 0.46992291150955623
Energy: 0.45126026090025434
Energy: 0.3788041123469366
Energy: 0.43329333629684214
Energy: 0.38120402607799303
Energy: 0.385609347445001
Energy: 0.42633502496927633
Energy: 0.4293885313948618
Energy: 0.43665305490327644
Energy: 0.4319376699818663
Energy: 0.4314575810693258
Energy: 0.44941609293176293
Energy: 0.36150195609296376
Energy: 0.43408958703009604
Energy: 0.36047151027964613
Energy: 0.36202649813810434
Energy: 0.46245306674339937
Energy: 0.36026285903362276
Energy: 0.3663645825942222
Energy: 0.3879491720513775
Energy: 0.3940804494357606
Energy: 0.3663841478090016
Energy: 0.41041946010029196
Energy: 0.4257073657350261
Energy: 0.4376149573547397
Energy: 0.34726497349976204
Energy: 0.424799820974307
Energy: 0.42517340617091753
Energy: 0.37323775247427754
Energy: 0.426590798265122
Energy: 0.4648143797348465
Energy: 0.34832260667519466
Energy: 0.3477605006000248
Energy: 0.46368769276435706
Energy: 0.3500472347455436
Energy: 0.41847346869109386
Energy: 0.42989953528784697
Energy: 0.41809653602642405
Energy: 0.43437536535906024
Energy: 0.4193926803591545
Energy: 0.4217645972728395
Energy: 0.4404006103362745
Energy: 0.33961155929293957
Energy: 0.47299341924995403
Energy: 0.33929888228718913
Energy: 0.3406452125820094
Energy: 0.45114318663260744
Energy: 0.33951350465407526
Energy: 0.34226317432328923
Energy: 0.4267313021057078
Energy: 0.4141279282738765
Energy: 0.34228672368385293
Energy: 0.43066810662833455
Energy: 0.41574880423478094
Energy: 0.4443314678917881
Energy: 0.3357343868128699
Energy: 0.40234462888113054
Energy: 0.4188699903804997
Energy: 0.33581180077904343
Energy: 0.41285569191613297
Energy: 0.4553832570825465
Energy: 0.33600318303930715
Energy: 0.33554148807526324
Energy: 0.4539506598940882
Energy: 0.3358426474623207
Energy: 0.4035755938146365
Energy: 0.4509092255160172
Energy: 0.4260549948620772
Energy: 0.43666222141959643
Energy: 0.4519313640673329
Energy: 0.4197588646097799
Energy: 0.43445723659915053
Energy: 0.335709004400785
Energy: 0.47680967600122454
Energy: 0.3356759587409234
Energy: 0.3364800610044856
Energy: 0.44871238485224896
Energy: 0.3357188423301935
Energy: 0.4419180067105248
Energy: 0.417045876783131
Energy: 0.43941252968945316
Energy: 0.4419714401552726
Energy: 0.4197859475288732
Energy: 0.4385107019097094
Energy: 0.4598495823545929
Energy: 0.33957114486398704
Energy: 0.3397992853509235
Energy: 0.4643146988291735
Energy: 0.33959610926726314
Energy: 0.4063900411747615
Energy: 0.4689303379083812
Energy: 0.3396375243402096
Energy: 0.37989701731792
Energy: 0.4256759417115585
Energy: 0.33983048427688056
Energy: 0.4205191699836542
Energy: 0.35323710463549335
Energy: 0.40045476818462106
Energy: 0.4287033277612351
Energy: 0.3533032941163256
Energy: 0.4167770232374565
Energy: 0.41671322729028903
Energy: 0.361751124924328
Energy: 0.48703685520273676
Energy: 0.3474739706063915
Energy: 0.3485009304100727
Energy: 0.45515057461081726
Energy: 0.34781933448416563
Energy: 0.42357010711488463
Energy: 0.4257745127942306
Energy: 0.42878956936145096
Energy: 0.4355617367536484
Energy: 0.4252296303489306
Energy: 0.45060188428327813
Energy: 0.44071357766308483
Energy: 0.407073133340105
Energy: 0.3603177998316003
Energy: 0.5066000687187168
Energy: 0.39466776380754875
Energy: 0.42862452449049326
Energy: 0.4457259061254807
Energy: 0.3895242404595668
Energy: 0.41045184898335146
Energy: 0.4315804789742149
Energy: 0.38997120752221315
Energy: 0.4336237141471657
Energy: 0.4320962854530707
Energy: 0.4471523931549513
Energy: 0.4337950783687678
Energy: 0.4516677608793161
Energy: 0.4184791782385838
Energy: 0.4435879553007713
Energy: 0.3914862656863531
Energy: 0.44255152830682665
Energy: 0.4096253473179378
Energy: 0.40221250248497525
Energy: 0.4799269679429197
Energy: 0.3788086397027022
Energy: 0.45636620553393403
Energy: 0.4285628106315115
Energy: 0.4415403088755678
Energy: 0.4427275224373829
Energy: 0.43706059881573156
Energy: 0.4342999679049354
Energy: 0.4927286762987247
Energy: 0.4509042412792187
Energy: 0.45188684623718606
Energy: 0.48638714254275806
Energy: 0.43603400083026606
Energy: 0.470689023134285
Energy: 0.46687235257692145
Energy: 0.4329983265132406
Energy: 0.4764553811878733
Energy: 0.46295267008100527
Energy: 0.45891497393609915
Energy: 0.46033330184305155
Energy: 0.49985645273691354
Energy: 0.4399300518517754
Energy: 0.4231279247151442
Energy: 0.506706569086406
Energy: 0.47930334954292064
Energy: 0.4721546517277332
Energy: 0.5006428624097664
Energy: 0.46513130137403635
Energy: 0.44066113090082304
Energy: 0.5115313502694268
Energy: 0.5148358996541188
Energy: 0.46709556460315327
Energy: 0.5858624268008643
Energy: 0.44865458945720427
Energy: 0.5009464983831234
Energy: 0.5464321482110679
Energy: 0.4491040452365607
Energy: 0.4277390900832392
Energy: 0.5158221914609249
Energy: 0.44513717792442936
Energy: 0.4095738691444347
Energy: 0.518465490282797
Energy: 0.4602350784586791
Energy: 0.46368342513739574

minimum gb energy = 0.33554148807526324 eV
minimum distance =  2.5581647940778 Angstroms
sigma value = 81


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

Energy: 0.14978966368754262
Energy: 0.16698444991619016
Energy: 0.08803740976631469
Energy: 0.08899878247469864
Energy: 0.22739920303591465
Energy: 0.15004006761268118
Energy: 0.16825945710976697
Energy: 0.37242742395155737
Energy: 0.327380304003339
Energy: 0.4135726920302531
Energy: 0.3526368951637016
Energy: 0.3491996742432172
Energy: 0.306787992799996
Energy: 0.0879903566519129
Energy: 0.0879966621168465
Energy: 0.3080061420958148
Energy: 0.08794024479642974
Energy: 0.08839792192590099
Energy: 0.23320774401343447
Energy: 0.08789540842513142
Energy: 0.08826748558843976
Energy: 0.22734977051687918
Energy: 0.0879841936624914
Energy: 0.10649485799197776
Energy: 0.10619283922042029
Energy: 0.3101875213744855
Energy: 0.15028437832948086
Energy: 0.10683384607850699
Energy: 0.21230160993593253
Energy: 0.2395082713563452
Energy: 0.08811623546388608
Energy: 0.1319888535091879
Energy: 0.08812478742386796
Energy: 0.08942662560848977
Energy: 0.2807255028560239
Energy: 0.08793915896576868
Energy: 0.3882701235243803
Energy: 0.22537428766998205
Energy: 0.21956081275742598
Energy: 0.15013221093601276
Energy: 0.13546944110205839
Energy: 0.21972060002436505
Energy: 0.3121222920605366
Energy: 0.08792177504192439
Energy: 0.08796815977682569
Energy: 0.2432463738526624
Energy: 0.08780274976441566
Energy: 0.0881041594570724
Energy: 0.22454487939949877
Energy: 0.0880011678606411
Energy: 0.10766292192025521
Energy: 0.22478168262591658
Energy: 0.08794203974369359
Energy: 0.10740006923489596
Energy: 0.15032265790866764
Energy: 0.45497678771091254
Energy: 0.37638829594773515
Energy: 0.08825983138144312
Energy: 0.43995555569915
Energy: 0.36527378328711724

minimum gb energy = 0.08780274976441566 eV
minimum distance =  2.6484164057773 Angstroms
sigma value = 3


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

Energy: 0.4994969180544177
Energy: 0.5161503351587567
Energy: 0.49959766887604296
Energy: 0.514282278929481
Energy: 0.7037813075516529
Energy: 0.4491467594190925
Energy: 0.5118244123492574
Energy: 0.48244547186375797
Energy: 0.5373776904414397
Energy: 0.5043953386820119
Energy: 0.4773854161952995
Energy: 0.5022464129830722
Energy: 0.5181413428291314
Energy: 0.4693621640196289
Energy: 0.4569516871057029
Energy: 0.515317890699438
Energy: 0.4710572182188013
Energy: 0.48856238948625613
Energy: 0.4469397416209385
Energy: 0.4574577908607612
Energy: 0.5069161292475654
Energy: 0.45719259553172564
Energy: 0.4894693043099253
Energy: 0.50407179660701
Energy: 0.4314410491467112
Energy: 0.505139541481523
Energy: 0.5006518681270279
Energy: 0.4358126588510361
Energy: 0.47925725605972436
Energy: 0.5223867390717947
Energy: 0.4845322333778838
Energy: 0.49016517398976145
Energy: 0.4701949014290738
Energy: 0.43762453933832407
Energy: 0.5048650405674031
Energy: 0.45378143646426244
Energy: 0.47716390268685177
Energy: 0.40005405685303236
Energy: 0.4026837164271997
Energy: 0.45072231172029187
Energy: 0.5079701586148889
Energy: 0.5876162725212914
Energy: 0.46701115755717737
Energy: 0.44102899747867813
Energy: 0.4385545032693706
Energy: 0.4646676859598371
Energy: 0.4241189606501411
Energy: 0.4428044998918282
Energy: 0.4448527787090354
Energy: 0.45594471492565875
Energy: 0.47712118252215147
Energy: 0.4589666172412458
Energy: 0.4496637402241228
Energy: 0.4668057658574201
Energy: 0.43151074019852353
Energy: 0.4165173372124329
Energy: 0.41684755904581633
Energy: 0.43316570428362833
Energy: 0.40179226659212725
Energy: 0.40014115265383654
Energy: 0.46173859121538524
Energy: 0.440493224417721
Energy: 0.44152129912444577
Energy: 0.43816156627897707
Energy: 0.4586387647181429
Energy: 0.4235012518332589
Energy: 0.4098420170929393
Energy: 0.4424645765252178
Energy: 0.4484447793958039
Energy: 0.37680092244995683
Energy: 0.4384780952369336
Energy: 0.3914270132324801
Energy: 0.39085734292472263
Energy: 0.4171953486229217
Energy: 0.42803436622942487
Energy: 0.3893968423061252
Energy: 0.4181714167069904
Energy: 0.41111915738864585
Energy: 0.41330509423701683
Energy: 0.43060433654564567
Energy: 0.43366553807409547
Energy: 0.42191343786726265
Energy: 0.43946082005654624
Energy: 0.4174675099606919
Energy: 0.4005292189082559
Energy: 0.3664064993766887
Energy: 0.3657468446837248
Energy: 0.3988446708733543
Energy: 0.3669253857949227
Energy: 0.3653224764316822
Energy: 0.4292886994963421
Energy: 0.42148467222699293
Energy: 0.41143758462997265
Energy: 0.42040341638316125
Energy: 0.41856571835588513
Energy: 0.41393721509670917
Energy: 0.36225904466949455
Energy: 0.43926549960149397
Energy: 0.4246127662946688
Energy: 0.35996903501409044
Energy: 0.4305512838963336
Energy: 0.4144822289614248
Energy: 0.37417338331701494
Energy: 0.4193675935257891
Energy: 0.43233832496884306
Energy: 0.37494356391208766
Energy: 0.41639287987352935
Energy: 0.4378990954821779
Energy: 0.42405507946518084
Energy: 0.41571160388150474
Energy: 0.4147861180446715
Energy: 0.42557764794208747
Energy: 0.413265394221139
Energy: 0.41041522146407206
Energy: 0.3963388874251562
Energy: 0.3597787724083311
Energy: 0.3595509547785652
Energy: 0.395558372115271
Energy: 0.3615763764530367
Energy: 0.4144897487745663
Energy: 0.4274035798378214
Energy: 0.41203174328974784
Energy: 0.4108133636447395
Energy: 0.41787445080782454
Energy: 0.42910381260334635
Energy: 0.41077492252741565
Energy: 0.37098996024206504
Energy: 0.41314435568896357
Energy: 0.4217574975120249
Energy: 0.36608738713163175
Energy: 0.41620846307237847
Energy: 0.41540381841666807
Energy: 0.381954545139628
Energy: 0.4314610115886127
Energy: 0.41663786064276653
Energy: 0.3832034762884119
Energy: 0.4299838558864527
Energy: 0.41760991119401825
Energy: 0.44643111125159496
Energy: 0.4016829266885286
Energy: 0.43358369493457455
Energy: 0.46149064548853336
Energy: 0.38696342697733654
Energy: 0.4194194892796176
Energy: 0.40992133751539983
Energy: 0.3880122602021067
Energy: 0.3784449836144238
Energy: 0.40760376613495036
Energy: 0.37843098658002033
Energy: 0.38783040249865086
Energy: 0.43578878672776716
Energy: 0.42841531208424316
Energy: 0.43230950613116564
Energy: 0.4339473090387365
Energy: 0.4217575725379918
Energy: 0.43238169768166457
Energy: 0.46353783892266814
Energy: 0.42735581378750737
Energy: 0.42512510365093215
Energy: 0.4085659748165232
Energy: 0.4389972540554408
Energy: 0.4413918155500959
Energy: 0.4320162823422158
Energy: 0.43687523670524686
Energy: 0.44769196158306307
Energy: 0.43332306219362027
Energy: 0.4726868554555005
Energy: 0.4553564566339419
Energy: 0.4695681442441187
Energy: 0.4721088221404578
Energy: 0.44866906958531844
Energy: 0.4285661370830549
Energy: 0.4396086317099725
Energy: 0.45230175443438425
Energy: 0.46837038539509157
Energy: 0.48106088416139636
Energy: 0.5152185624403932
Energy: 0.4454993902106916
Energy: 0.418934670490997
Energy: 0.4695148523197644
Energy: 0.5377560810936964
Energy: 0.44512350743039264
Energy: 0.4411848437124588
Energy: 0.5193549874563125
Energy: 0.4350239872457022
Energy: 0.461139535315936
Energy: 0.5010426744844713
Energy: 0.47371817945848554
Energy: 0.47736239427064564
Energy: 0.48900383249275914
Energy: 0.47297030231701315
Energy: 0.48524201925421206
Energy: 0.4120842339327048
Energy: 0.4419237260229733
Energy: 0.5203984800562166
Energy: 0.4365189914641035
Energy: 0.43628393901530454
Energy: 0.5236872465561907

minimum gb energy = 0.3595509547785652 eV
minimum distance =  2.57674479419943 Angstroms
sigma value = 67


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

Energy: 0.5290719189917396
Energy: 0.7970908375679403
Energy: 0.5740970524972865
Energy: 0.5301021999351014
Energy: 0.8246382885974707
Energy: 0.5706133458464938
Energy: 0.5485617334408692
Energy: 0.5591180288222719
Energy: 0.5847022361407959
Energy: 0.5553022408751127
Energy: 0.5473413269330493
Energy: 0.5886867548125586
Energy: 0.5546130544977135
Energy: 0.6012391326194645
Energy: 0.5641244550009021
Energy: 0.5310892184525364
Energy: 0.5584392028971069
Energy: 0.5664905086195434
Energy: 0.6055030375277807
Energy: 0.5692750087078353
Energy: 0.5603869036602815
Energy: 0.5126471759787881
Energy: 0.5337347355332497
Energy: 0.5569995894376847
Energy: 0.514652597130981
Energy: 0.5664434900944402
Energy: 0.5424388904248206
Energy: 0.5017400075116865
Energy: 0.56044651894733
Energy: 0.5736323766080743
Energy: 0.5140423193464453
Energy: 0.582116281071659
Energy: 0.5460341811080691
Energy: 0.5596009871465069
Energy: 0.5653816193103555
Energy: 0.5384017769529746
Energy: 0.4832056585204399
Energy: 0.5840986799617547
Energy: 0.5345633279261751
Energy: 0.5042351725442742
Energy: 0.5583913346878198
Energy: 0.48361379083365263
Energy: 0.4849979250094361
Energy: 0.5244371185381685
Energy: 0.5214840630104669
Energy: 0.5238495378731642
Energy: 0.527154334907643
Energy: 0.519969229036201
Energy: 0.5234604198070427
Energy: 0.5396157630460694
Energy: 0.5244462981246903
Energy: 0.4977481595638734
Energy: 0.4971760858841773
Energy: 0.5214130179769967
Energy: 0.47690058880942016
Energy: 0.45004749605462324
Energy: 0.45155487215036116
Energy: 0.48792885191797336
Energy: 0.4485487039664731
Energy: 0.4458348151734508
Energy: 0.5298346737508388
Energy: 0.5130263474126091
Energy: 0.509197623504099
Energy: 0.530637813906087
Energy: 0.49015075770670613
Energy: 0.5134469186785399
Energy: 0.4310685437840621
Energy: 0.5014740598104421
Energy: 0.5170715503084049
Energy: 0.43131934055656695
Energy: 0.5052708431473927
Energy: 0.4294083774074212
Energy: 0.4442282551726053
Energy: 0.5002870140573038
Energy: 0.5124416601046464
Energy: 0.4410397784459663
Energy: 0.5125531927492352
Energy: 0.42843131605039997
Energy: 0.4759370830901663
Energy: 0.48407960803349187
Energy: 0.49951656113364123
Energy: 0.4989888981943417
Energy: 0.4815384749013781
Energy: 0.4970330130085911
Energy: 0.46156429480048355
Energy: 0.4312962140792337
Energy: 0.4333755951563674
Energy: 0.46221706337388063
Energy: 0.42969223568442455
Energy: 0.4277790813984956
Energy: 0.4903872750051784
Energy: 0.5115238361178847
Energy: 0.5096148751351263
Energy: 0.48979629005580066
Energy: 0.4909129443532605
Energy: 0.4920260921657842
Energy: 0.4544957426029754
Energy: 0.4879839056867641
Energy: 0.49953280403836103
Energy: 0.46532799841005723
Energy: 0.5075011863063355
Energy: 0.5036817932344175
Energy: 0.44702224153410175
Energy: 0.5175891423665603
Energy: 0.5211008970407653
Energy: 0.4503298583147547
Energy: 0.4888371089054712
Energy: 0.5171151162003912
Energy: 0.49715834804802783
Energy: 0.5212811888782318
Energy: 0.5099475045743747
Energy: 0.5339708797516636
Energy: 0.5120341786719131
Energy: 0.5303077637521212
Energy: 0.49519811489934096
Energy: 0.4861769100536661
Energy: 0.4863238524841682
Energy: 0.48956665239756425
Energy: 0.4870287537688814
Energy: 0.4951297258854018
Energy: 0.4958184904301298
Energy: 0.539230061871353
Energy: 0.5353323937800077
Energy: 0.5953004954722538
Energy: 0.49319522267240407
Energy: 0.5294783421981397
Energy: 0.5279601970907367
Energy: 0.5031550248029548
Energy: 0.5375404210923477
Energy: 0.5357208016788819
Energy: 0.5229207209504665
Energy: 0.5405990244498834
Energy: 0.5984845560898366
Energy: 0.49145364520328855
Energy: 0.5340737148510742
Energy: 0.5978770045986692
Energy: 0.5568126909378067
Energy: 0.537737838805554

minimum gb energy = 0.4277790813984956 eV
minimum distance =  2.56730985379747 Angstroms
sigma value = 33


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

Energy: 0.5854821056101456
Energy: 0.6639750689354373
Energy: 0.6995469751370214
Energy: 0.5863840383534786
Energy: 0.8728067396043602
Energy: 0.6138994642110299
Energy: 0.5258745943585693
Energy: 0.5789788996238515
Energy: 0.564846804302429
Energy: 0.5507748950129792
Energy: 0.5526485907873459
Energy: 0.6091061879093239
Energy: 0.5511053692119023
Energy: 0.6056495396257402
Energy: 0.6019244313725582
Energy: 0.551765602768267
Energy: 0.5852938329336218
Energy: 0.6387283199253837
Energy: 0.5548204582573555
Energy: 0.6941104775399981
Energy: 0.5887942094892329
Energy: 0.5582209793890704
Energy: 0.5584744722478215
Energy: 0.5829331785796907
Energy: 0.5204961107211412
Energy: 0.5670128120475286
Energy: 0.5690662917949247
Energy: 0.5383876208502896
Energy: 0.554348913549784
Energy: 0.5785193874430588
Energy: 0.5611929525493822
Energy: 0.6069755113250551
Energy: 0.624367308000114
Energy: 0.5617596081651105
Energy: 0.6133276065390897
Energy: 0.5769144466754071
Energy: 0.505329132543204
Energy: 0.643192014350639
Energy: 0.5763827631517563
Energy: 0.5044702239341626
Energy: 0.5942136460940282
Energy: 0.5161167740567588
Energy: 0.5074731750882011
Energy: 0.5712348257006811
Energy: 0.5640496088463702
Energy: 0.5099904085749883
Energy: 0.581017898940886
Energy: 0.5317633929064666
Energy: 0.5270664968629937
Energy: 0.5690356986077316
Energy: 0.557617696926358
Energy: 0.5289098480087426
Energy: 0.5311955157690731
Energy: 0.550753491685974
Energy: 0.5178031458134086
Energy: 0.47211920693218346
Energy: 0.46968520589924473
Energy: 0.5115929143926673
Energy: 0.4696363557780146
Energy: 0.46911767347957
Energy: 0.5222036360704044
Energy: 0.5291204432446293
Energy: 0.5438377372539629
Energy: 0.5563144444238727
Energy: 0.518179809263196
Energy: 0.5388901627113323
Energy: 0.4727209821244343
Energy: 0.5534229071574583
Energy: 0.5557462466212937
Energy: 0.473359064727716
Energy: 0.5184261266879817
Energy: 0.5303488369534518
Energy: 0.4799123164854453
Energy: 0.5355307676083021
Energy: 0.5608258841161328
Energy: 0.48454709946707164
Energy: 0.5232935049633675
Energy: 0.47015743390597675
Energy: 0.5363390464993492
Energy: 0.544370938679016
Energy: 0.5574463218419031
Energy: 0.552063819118287
Energy: 0.5309442057767679
Energy: 0.5447862996272799
Energy: 0.5286044977197027
Energy: 0.5052919851260121
Energy: 0.5038513709862473
Energy: 0.5391587577118312
Energy: 0.5047550604159132
Energy: 0.534849538365415
Energy: 0.5661806235414283
Energy: 0.5664261830830398
Energy: 0.564696632145198
Energy: 0.5682707661552427
Energy: 0.5233894469927618
Energy: 0.5855018637097928
Energy: 0.5630115007681907
Energy: 0.5999196658723825
Energy: 0.5758703000562682
Energy: 0.5621673328704527
Energy: 0.6006234526192133
Energy: 0.570793830312948
Energy: 0.5544310012520234
Energy: 0.5604585055518648
Energy: 0.5357414179971451
Energy: 0.5543227785311677
Energy: 0.5453260803658673
Energy: 0.5245293856416742
Energy: 0.5857798774488144
Energy: 0.5995504390925774
Energy: 0.6686423622260086
Energy: 0.5866747803152722
Energy: 0.5969720594798087
Energy: 0.6015733283664292
Energy: 0.5258864166770624
Energy: 0.5568425052674817
Energy: 0.5694041017183842
Energy: 0.525918301264172
Energy: 0.5523176777274339
Energy: 0.5964615230694517
Energy: 0.5531153958329449
Energy: 0.5980192501040232
Energy: 0.6144425449741981
Energy: 0.5492393034291972
Energy: 0.5504506471752735
Energy: 0.6204714299317566
Energy: 0.5561685028912837
Energy: 0.6121465079796442
Energy: 0.6159576108209378
Energy: 0.5560390164382204
Energy: 0.5866844360329099
Energy: 0.6510108522906303
Energy: 0.5168667689187789
Energy: 0.5539296875695573
Energy: 0.5649755970749212
Energy: 0.5155369978468414
Energy: 0.5518494890379423
Energy: 0.5802681967057313
Energy: 0.5609974633532062
Energy: 0.6066097071647035
Energy: 0.620685385845145
Energy: 0.5619231955985681
Energy: 0.648392235648119
Energy: 0.5755210611607522
Energy: 0.5030662708015498
Energy: 0.5599174998775867
Energy: 0.5883119720652047
Energy: 0.5040268799945117
Energy: 0.6003458994755527
Energy: 0.5683350112459518
Energy: 0.5048732876192376
Energy: 0.5776906739128548
Energy: 0.5643502979981474
Energy: 0.5063072783467586
Energy: 0.5738968709149349
Energy: 0.5294373341005653
Energy: 0.5437490754310796
Energy: 0.5500705840488603
Energy: 0.5487939111774517
Energy: 0.5373420572413063
Energy: 0.5491755888053369
Energy: 0.5403381263596583
Energy: 0.5205384993349442
Energy: 0.4725463246982189
Energy: 0.46958585092307104
Energy: 0.5153188401463286
Energy: 0.4702007295957471
Energy: 0.46873592391670005
Energy: 0.5275959064668841
Energy: 0.5147152088122996
Energy: 0.5444978762041053
Energy: 0.5277222958925643
Energy: 0.5128268729535901
Energy: 0.5459553458973967
Energy: 0.4790168102400534
Energy: 0.5538601996751368
Energy: 0.52507683094957
Energy: 0.489010072641209
Energy: 0.5185315387251134
Energy: 0.4994649553028857
Energy: 0.47258165811983993
Energy: 0.5421211966273596
Energy: 0.5476077799727365
Energy: 0.4729878897753015
Energy: 0.5235250017315112
Energy: 0.5182056884175955
Energy: 0.5602183349361914
Energy: 0.5652175732283636
Energy: 0.5615278289319853
Energy: 0.5362040829843924
Energy: 0.5299402317724217
Energy: 0.5431708548635972
Energy: 0.543783965259554
Energy: 0.5017084545993271
Energy: 0.5081677472513825
Energy: 0.5204434274086029
Energy: 0.5022967825537471
Energy: 0.5678187162872772
Energy: 0.5578836403544883
Energy: 0.5087892797791164
Energy: 0.5899503232239532
Energy: 0.5586525536750634
Energy: 0.5202442391065868
Energy: 0.5849862662324281
Energy: 0.5634034857148479
Energy: 0.5988755985475633
Energy: 0.5968265358805253
Energy: 0.5646839287167161
Energy: 0.5370233263408524
Energy: 0.5730693806293818
Energy: 0.5871697674431685
Energy: 0.5362895758682513
Energy: 0.5763635464059842
Energy: 0.5535507618912973
Energy: 0.5555357529959544
Energy: 0.5567059598340195
Energy: 0.5868742648832214
Energy: 0.5999372874435088
Energy: 0.6672202997767196
Energy: 0.587739678654559
Energy: 0.6233233267588875
Energy: 0.599539553888047

minimum gb energy = 0.46873592391670005 eV
minimum distance =  2.5807468216793 Angstroms
sigma value = 41


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

Energy: 0.5837580073407005
Energy: 0.7126791136290435
Energy: 0.7119486440626455
Energy: 0.5845186813277389
Energy: 1.0079013099419822
Energy: 0.715883522169963
Energy: 0.5450861921156214
Energy: 0.5773249516782328
Energy: 0.5911067183727448
Energy: 0.5832514891714234
Energy: 0.5764183982587571
Energy: 0.6216484612381341
Energy: 0.5757153811461116
Energy: 0.684362901737351
Energy: 0.6607829023888814
Energy: 0.5757598338416559
Energy: 0.6210975073068964
Energy: 0.686622989493751
Energy: 0.5857986598761763
Energy: 0.6197730675154361
Energy: 0.649537058305693
Energy: 0.5839888250617461
Energy: 0.6033926302209467
Energy: 0.5830145778129874
Energy: 0.5449718483497273
Energy: 0.5826298505698541
Energy: 0.5905208520282224
Energy: 0.5503956428379805
Energy: 0.5812936079207179
Energy: 0.5919328131590921
Energy: 0.5749239889469332
Energy: 0.6446376548792003
Energy: 0.66629104072071
Energy: 0.57440458966782
Energy: 0.6486712698713779
Energy: 0.6881197598925494
Energy: 0.5195951170772641
Energy: 0.5918290357760024
Energy: 0.6100340265094152
Energy: 0.5184792860432333
Energy: 0.5695246095839235
Energy: 0.5199338335874785
Energy: 0.528447997464525
Energy: 0.6168878915926008
Energy: 0.5712147240624659
Energy: 0.5268674295161019
Energy: 0.5772729357759108
Energy: 0.5663809828886996
Energy: 0.5733424257151077
Energy: 0.5809869744741679
Energy: 0.6057057801491782
Energy: 0.5713093243965532
Energy: 0.5603807602717403
Energy: 0.6126824291557117
Energy: 0.5691431533250952
Energy: 0.526665930039825
Energy: 0.5248762988200291
Energy: 0.57012365286663
Energy: 0.5244074924272716
Energy: 0.5239235729377204
Energy: 0.599199714402744
Energy: 0.5398024567636851
Energy: 0.5784617280892814
Energy: 0.5999050575594612
Energy: 0.5338617443445492
Energy: 0.6175606676798397
Energy: 0.5850120281157122
Energy: 0.6104890525869836
Energy: 0.5991608774210211
Energy: 0.5847405332733836
Energy: 0.5873193892831683
Energy: 0.590693273072539
Energy: 0.5778925412090393
Energy: 0.5649354651141354
Energy: 0.5906559740788123
Energy: 0.577754460931814
Energy: 0.5659845465458381
Energy: 0.59143546076347
Energy: 0.5821231106397691
Energy: 0.6430125869772231
Energy: 0.709777258737342
Energy: 0.5841308283010834
Energy: 0.6323013085006249
Energy: 0.7130723274826191

minimum gb energy = 0.5184792860432333 eV
minimum distance =  2.57856895017278 Angstroms
sigma value = 11


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

Energy: 0.7175948785592487
Energy: 0.6431366156099826
Energy: 0.7634317865644564
Energy: 0.7174576017935506
Energy: 0.8978140151907567
Energy: 0.7345669986198775
Energy: 0.5897505362000832
Energy: 0.5279421928479657
Energy: 0.5346077442312958
Energy: 0.6154967929139601
Energy: 0.5269383885777411
Energy: 0.5462987637236248
Energy: 0.5838166277488265
Energy: 0.6829074532168855
Energy: 0.70537578077051
Energy: 0.583596935041187
Energy: 0.6203972095230387
Energy: 0.60010579606416
Energy: 0.6810589529156499
Energy: 0.5164689762287853
Energy: 0.6009232032934205
Energy: 0.6888355200412327
Energy: 0.5948160370848712
Energy: 0.614644246139992
Energy: 0.5783491561735451
Energy: 0.540321778302771
Energy: 0.5452219838011015
Energy: 0.5816293552031387
Energy: 0.5299186785544528
Energy: 0.588782094756199
Energy: 0.6068535526513816
Energy: 0.570197783506295
Energy: 0.5837305381765558
Energy: 0.6080500422905548
Energy: 0.5644644827989357
Energy: 0.6308980027680307
Energy: 0.5453283418385974
Energy: 0.6312778432467182
Energy: 0.6306033307937798
Energy: 0.5469535145629603
Energy: 0.5761887018940672
Energy: 0.5658370813186213
Energy: 0.5306264609506276
Energy: 0.5652367213881941
Energy: 0.5714237320756073
Energy: 0.5269314752964523
Energy: 0.5593372715643405
Energy: 0.5536762111696066
Energy: 0.598290642067886
Energy: 0.5838225071076631
Energy: 0.614164622421411
Energy: 0.5970759081542921
Energy: 0.6721354800651502
Energy: 0.6792706992755935
Energy: 0.6061798410529642
Energy: 0.596204212584212
Energy: 0.6040244437627936
Energy: 0.5900669851182916
Energy: 0.5960796721653743
Energy: 0.6585315078091246
Energy: 0.5280256878942575
Energy: 0.5737700629472958
Energy: 0.5370400616888301
Energy: 0.5267334955127304
Energy: 0.582872270760348
Energy: 0.5380552404329483
Energy: 0.6421447037716274
Energy: 0.7891342456720993
Energy: 0.6986749956247632
Energy: 0.6137621450947978
Energy: 0.6952522402859553
Energy: 0.7559300594293624
Energy: 0.5327203509320743
Energy: 0.6145355697389706
Energy: 0.590919044167627
Energy: 0.531945192516667
Energy: 0.5959301224145652
Energy: 0.5361270056016607
Energy: 0.6378835737746918
Energy: 0.6651280168679006
Energy: 0.6901330207826921
Energy: 0.6401370348177429
Energy: 0.584888425737337
Energy: 0.6929228899642652
Energy: 0.5896775295223872
Energy: 0.6170417356475653
Energy: 0.6152750953189429
Energy: 0.5373915238667404
Energy: 0.5546212098243588
Energy: 0.6116710567714612
Energy: 0.52123650678322
Energy: 0.5843736315657212
Energy: 0.5968336918298917
Energy: 0.5190942953826191
Energy: 0.5583574315153863
Energy: 0.5235589448174691
Energy: 0.53383197516353
Energy: 0.6309001332470419
Energy: 0.6162072164117873
Energy: 0.5336317359401934
Energy: 0.6037630650262206
Energy: 0.6099656419532888
Energy: 0.6271505557174378
Energy: 0.6161705733175036
Energy: 0.6204396199230593
Energy: 0.6285123004204548
Energy: 0.5800775746069811
Energy: 0.6254513008306134
Energy: 0.5538880502265062
Energy: 0.5573856798820379
Energy: 0.5796304983950775
Energy: 0.5528910222555198
Energy: 0.5581907108611073
Energy: 0.5527547862988188
Energy: 0.6069344084984523
Energy: 0.7310103111328181
Energy: 0.7322934792143769
Energy: 0.6072344579658824
Energy: 0.7597671943255573
Energy: 0.6451289185582533
Energy: 0.5537505351824651
Energy: 0.5130038846788325
Energy: 0.5931375525413478
Energy: 0.5542996184906275
Energy: 0.5214872463309898
Energy: 0.5626067286662216
Energy: 0.5501125160654184
Energy: 0.5577810674716854
Energy: 0.5641017944633112
Energy: 0.5490167640799919
Energy: 0.5577511216520059
Energy: 0.5695192130506952
Energy: 0.6927407717555293
Energy: 0.6006557972523663
Energy: 0.6891841969226671
Energy: 0.694745450050109
Energy: 0.6103889945253725
Energy: 0.6875198364760069
Energy: 0.563348848689841
Energy: 0.5551769303089766
Energy: 0.5555140966846319
Energy: 0.5595079932363703
Energy: 0.5535327679524111
Energy: 0.5657293328002141
Energy: 0.5883630904745707
Energy: 0.6786883579292587
Energy: 0.6268365383997025
Energy: 0.5906645093156048
Energy: 0.5922868623559471
Energy: 0.6208483882224479
Energy: 0.5618799153916495
Energy: 0.5398431621240704
Energy: 0.5659732043187148
Energy: 0.5646120043926169
Energy: 0.5364447461454049
Energy: 0.6160117309349719
Energy: 0.5581048829289136
Energy: 0.5171705307278007
Energy: 0.5162855915048942
Energy: 0.5589076506959766
Energy: 0.5211243552761418
Energy: 0.5784999371392213
Energy: 0.5865617891651139
Energy: 0.5527184298489469
Energy: 0.5215789335173242
Energy: 0.5897133312527398
Energy: 0.5510970711104686
Energy: 0.630794624180041
Energy: 0.5835799834547741
Energy: 0.7008435902008282
Energy: 0.6805070244855481
Energy: 0.5819583252593805
Energy: 0.6147272203198595
Energy: 0.6686672049553344
Energy: 0.608613139422309
Energy: 0.5271109327554717
Energy: 0.5497179140186073
Energy: 0.5958105651025634
Energy: 0.5290413949922969
Energy: 0.5884027980737082
Energy: 0.718702244643572
Energy: 0.55941619525492
Energy: 0.6482006603089907
Energy: 0.7189468542741949
Energy: 0.5538096698563751
Energy: 0.6838593517369962

minimum gb energy = 0.5130038846788325 eV
minimum distance =  2.57799225008551 Angstroms
sigma value = 57


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

Energy: 0.6706663317801688
Energy: 0.6794236220433123
Energy: 0.7074522440613659
Energy: 0.6721081463126176
Energy: 1.0178025772681776
Energy: 0.7062180284042794
Energy: 0.47577002260535006
Energy: 0.5062775439956541
Energy: 0.4822063482358855
Energy: 0.5289820352161392
Energy: 0.50576273297117
Energy: 0.47768487846771135
Energy: 0.5058170660452818
Energy: 0.6028529989389941
Energy: 0.6213476609683012
Energy: 0.5049261035482608
Energy: 0.5838844696696253
Energy: 0.5360510272179351
Energy: 0.5208406538865915
Energy: 0.5353645029474988
Energy: 0.5358399463658442
Energy: 0.4831646309925225
Energy: 0.6074309047461864
Energy: 0.5365662290336579
Energy: 0.5128684032405366
Energy: 0.5060254558192968
Energy: 0.536115876114502
Energy: 0.5139677760544267
Energy: 0.515088757128684
Energy: 0.5370942410726527
Energy: 0.6179896940249779
Energy: 0.5947974444021741
Energy: 0.613511772706148
Energy: 0.6131111333823446
Energy: 0.5895788043243048
Energy: 0.6414743940895901
Energy: 0.4952895159684654
Energy: 0.5165200508552257
Energy: 0.48988817092898806
Energy: 0.4938639680382324
Energy: 0.4868592905410633
Energy: 0.5371563961260064
Energy: 0.5050442123341145
Energy: 0.4933045487877043
Energy: 0.5359439846430054
Energy: 0.5058520540699291
Energy: 0.4879526935359548
Energy: 0.5355131492976418
Energy: 0.494775862026553
Energy: 0.5839050747484499
Energy: 0.5730027144323593
Energy: 0.5662962293250723
Energy: 0.5754626235261557
Energy: 0.5992850849849191
Energy: 0.49853561971460514
Energy: 0.5070213247844455
Energy: 0.5398905349246709
Energy: 0.5631484399063353
Energy: 0.505885748887008
Energy: 0.5995692353819081
Energy: 0.5063980234229672
Energy: 0.4790772574801886
Energy: 0.5361849056695078
Energy: 0.5046588808513078
Energy: 0.5045580482516663
Energy: 0.5375260975460884
Energy: 0.5007916047376205
Energy: 0.5796866985371277
Energy: 0.5849638035386432
Energy: 0.5946316393647406
Energy: 0.5742363616878551
Energy: 0.5357140102829285
Energy: 0.5093875935785306
Energy: 0.5349838438891139
Energy: 0.4770220330522774
Energy: 0.509660222230463
Energy: 0.5041192529658877
Energy: 0.47732171034514054
Energy: 0.6271165154411124
Energy: 0.5837347154472938
Energy: 0.5951143426010227
Energy: 0.629221512646863
Energy: 0.5802724857316803
Energy: 0.671469352894525
Energy: 0.5805071056046119
Energy: 0.5435404646825214
Energy: 0.6028517819919469
Energy: 0.47167532448104793
Energy: 0.4700792145063187
Energy: 0.5365661435069528
Energy: 0.5055333242644441
Energy: 0.4769269189059707
Energy: 0.5269415131932323
Energy: 0.5060379529465846
Energy: 0.4677246074689262
Energy: 0.5371404471423357
Energy: 0.4812002536943875
Energy: 0.47544163157398495
Energy: 0.47744982913214795
Energy: 0.4779331396339908
Energy: 0.47234578038938824
Energy: 0.47753900949726735

minimum gb energy = 0.4677246074689262 eV
minimum distance =  2.57511868505085 Angstroms
sigma value = 9


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

Energy: 0.845558129874131
Energy: 0.9176967858255455
Energy: 0.5575117506138939
Energy: 0.8480155877536576
Energy: 1.0132227786890864
Energy: 0.5359731784676
Energy: 0.5319253514102292
Energy: 0.5634152990860337
Energy: 0.581338000267791
Energy: 0.5471755076220055
Energy: 0.5523738206281832
Energy: 0.546849480351796
Energy: 0.5884719727593122
Energy: 0.6160171434537602
Energy: 0.6071316852388926
Energy: 0.5900212892329285
Energy: 0.6024193120341909
Energy: 0.5827660069994178
Energy: 0.5667542799944993
Energy: 0.5680139133523058
Energy: 0.5888761572805462
Energy: 0.5630913949175153
Energy: 0.5506165816448678
Energy: 0.6010092542948554
Energy: 0.5707091124542667
Energy: 0.5598947116976946
Energy: 0.5749620682634626
Energy: 0.568127850569903
Energy: 0.5482117071804637
Energy: 0.585405789555125
Energy: 0.5474789236978942
Energy: 0.5726581015826031
Energy: 0.5290847448013866
Energy: 0.5379316722644963
Energy: 0.5366328918350044
Energy: 0.5282788315578791
Energy: 0.572320827278046
Energy: 0.6659907534914586
Energy: 0.537230545117416
Energy: 0.5594475060288923
Energy: 0.6360406261999789
Energy: 0.5323081479250206
Energy: 0.5324303852731657
Energy: 0.5501374350395771
Energy: 0.5328064943568523
Energy: 0.5333462606338333
Energy: 0.5321412077550325
Energy: 0.5647793519943295
Energy: 0.6442885880192292
Energy: 0.6022585407773926
Energy: 0.5696834742818403
Energy: 0.6165861113978779
Energy: 0.5993723425705986
Energy: 0.6053075932438075
Energy: 0.7431329162492486
Energy: 0.5609847081709466
Energy: 0.5885540964194055
Energy: 0.6454319760889572
Energy: 0.580540832375896
Energy: 0.5707460181839261
Energy: 0.5301737141613398
Energy: 0.5749355979073851
Energy: 0.5351333147182731
Energy: 0.5306631749542449
Energy: 0.5859407472233401
Energy: 0.5294110063602931
Energy: 0.5466307786002041
Energy: 0.5669906970470264
Energy: 0.5630175345330716
Energy: 0.5458604979989716
Energy: 0.5659339171584407
Energy: 0.562671451810562
Energy: 0.6403715523567902
Energy: 0.6058855744185203
Energy: 0.6067893178523259
Energy: 0.6395330760455749
Energy: 0.5902957910751846
Energy: 0.6598751695155249
Energy: 0.629436606068
Energy: 0.6165654484295713
Energy: 0.6013280584473227
Energy: 0.624865493028152
Energy: 0.6055481884687409
Energy: 0.6026112751694505
Energy: 0.648275389064668
Energy: 0.5594942347614456
Energy: 0.5320869839016401
Energy: 0.6600430585743203
Energy: 0.7083784948317549
Energy: 0.672762435978505
Energy: 0.6608354510954475
Energy: 0.7024628736389827
Energy: 0.6248335685378285
Energy: 0.6057638421012368
Energy: 0.7365643217082323
Energy: 0.6257185194525835
Energy: 0.5583132796119635
Energy: 0.5910264067712325
Energy: 0.5467721783975756
Energy: 0.5577354637777439
Energy: 0.5484100202209294
Energy: 0.5461122116987912
Energy: 0.5994553007857578
Energy: 0.5493880311479185
Energy: 0.6054033054009592
Energy: 0.602205648501192
Energy: 0.54643619739235
Energy: 0.6390708705695357
Energy: 0.5547104258058525
Energy: 0.604197630326502
Energy: 0.612562653662455
Energy: 0.5638199621812712
Energy: 0.5617009203329412
Energy: 0.6094896325232417
Energy: 0.5709164979467298
Energy: 0.6012088257963097
Energy: 0.6008933337610474
Energy: 0.5718104633002422
Energy: 0.6081953013643556
Energy: 0.5984835534936629
Energy: 0.5818210429718246
Energy: 0.5644077947530146
Energy: 0.5654658095801195
Energy: 0.6003097264920312
Energy: 0.5614195737752142
Energy: 0.5483710808309618

minimum gb energy = 0.5282788315578791 eV
minimum distance =  2.57102402897946 Angstroms
sigma value = 27


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

Energy: 0.7501331379803664
Energy: 0.7859481355598326
Energy: 0.7582578227035454
Energy: 0.7121728300093685
Energy: 0.8063496520100012
Energy: 0.7889448633448315
Energy: 0.6228760962552211
Energy: 0.6721239976193272
Energy: 0.6628463400133211
Energy: 0.6097233867103807
Energy: 0.6773947187424636
Energy: 0.7156703983078433
Energy: 0.6530331164341558
Energy: 0.6610535888567449
Energy: 0.6835242852253369
Energy: 0.6093228284804056
Energy: 0.5592791470598231
Energy: 0.6848688012211381
Energy: 0.6020728770923821
Energy: 0.6412200493529637
Energy: 0.6717636861235531
Energy: 0.6261412559236648
Energy: 0.6731271600976905
Energy: 0.6280491523692625
Energy: 0.5679490366728339
Energy: 0.6259097323663193
Energy: 0.642794523373964
Energy: 0.5716027491719324
Energy: 0.6722109237400823
Energy: 0.647179272445665
Energy: 0.6307216751638384
Energy: 0.6533677812829899
Energy: 0.6775554947201821
Energy: 0.6481082907584169
Energy: 0.6102429745567984
Energy: 0.6739283106124498
Energy: 0.6684315887079103
Energy: 0.6590129359189393
Energy: 0.6959467150765145
Energy: 0.6443251428350465
Energy: 0.6859003378703576
Energy: 0.6764118638988628
Energy: 0.6548784384779697
Energy: 0.6488101400983963
Energy: 0.6501595970114977
Energy: 0.6447994988899218
Energy: 0.6010465928473996
Energy: 0.6490486349908496
Energy: 0.7659555962805608
Energy: 0.6008713832838245
Energy: 0.624133440673899
Energy: 0.6327170971711522
Energy: 0.5977962267047378
Energy: 0.6264730248821804
Energy: 0.6366121701556473
Energy: 0.601346297249139
Energy: 0.6039382644540696
Energy: 0.635604421488512
Energy: 0.6266210035258373
Energy: 0.6284429006685256
Energy: 0.7036664037963385
Energy: 0.6613432312842868
Energy: 0.6369434796442448
Energy: 0.6383294533812431
Energy: 0.5681137248735884
Energy: 0.6372009090597991
Energy: 0.6012886677131373
Energy: 0.5974514720203062
Energy: 0.6216223060443946
Energy: 0.6022072561857851
Energy: 0.6022726322559232
Energy: 0.6243667346534677
Energy: 0.6336991209118635
Energy: 0.6039630718367116
Energy: 0.6055355254327588
Energy: 0.6344815098049233
Energy: 0.602690103487135
Energy: 0.6047851101939047
Energy: 0.6150313089107151
Energy: 0.6075233628733601
Energy: 0.6063656056680197
Energy: 0.60883604338036
Energy: 0.6287046610896534
Energy: 0.6068264729886694
Energy: 0.5944387410830687
Energy: 0.6261781317349759
Energy: 0.6325996590311586
Energy: 0.5940578111215103
Energy: 0.626654752004024
Energy: 0.6176954514059715
Energy: 0.6214594483490223
Energy: 0.6321769071835254
Energy: 0.6429757928880853
Energy: 0.6255377027484693
Energy: 0.6050971983202997
Energy: 0.6449905052008076
Energy: 0.5690222446924381
Energy: 0.6054755702778383
Energy: 0.6126783146633644
Energy: 0.5710282238434576
Energy: 0.6224800608457822
Energy: 0.6320718876723029
Energy: 0.6068876343841596
Energy: 0.6084806884776799
Energy: 0.6498607204727912
Energy: 0.5936247379663027
Energy: 0.6037720108293159
Energy: 0.648652938368987
Energy: 0.6602553694316396
Energy: 0.6196150220693875
Energy: 0.6026732837907381
Energy: 0.6417879237539232
Energy: 0.5954266559630811
Energy: 0.6462894783706666
Energy: 0.703632018494071
Energy: 0.640883144978198
Energy: 0.6225917230445678
Energy: 0.6913170920977695
Energy: 0.6627324861099309
Energy: 0.6274060956662961
Energy: 0.6633969437495092
Energy: 0.6268305022963355
Energy: 0.6296521436000015
Energy: 0.6945219609232998
Energy: 0.6219948865092563
Energy: 0.6448262976898835
Energy: 0.5541637784389386
Energy: 0.6498527227527511
Energy: 0.6760773519154054
Energy: 0.5597544225391462
Energy: 0.8448394290586093
Energy: 0.6051599508101698
Energy: 0.6758049771453011
Energy: 0.6734916121029875
Energy: 0.6271177366719595
Energy: 0.6763362620894137
Energy: 0.6463139668287217
Energy: 0.6715501518780018
Energy: 0.6452944471105264
Energy: 0.6492929964228425
Energy: 0.6275963977410252
Energy: 0.6017021494670752
Energy: 0.5981057835187398
Energy: 0.6921677348748274
Energy: 0.6090408099096284
Energy: 0.65725377526986
Energy: 0.674836975335741
Energy: 0.7954021487574809
Energy: 0.6491364514342841
Energy: 0.6732500412136108

minimum gb energy = 0.5541637784389386 eV
minimum distance =  2.53178675516511 Angstroms
sigma value = 19


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

Energy: 0.840108136962413
Energy: 0.7189791681562848
Energy: 0.6481895673711979
Energy: 0.8414232501186876
Energy: 0.7527909483306995
Energy: 0.8113083069751627
Energy: 0.6015057075803477
Energy: 0.5689560418864944
Energy: 0.6025959430667371
Energy: 0.6253079912969296
Energy: 0.6259700382204468
Energy: 0.6021310656246953
Energy: 0.6082602424862614
Energy: 0.5932743597474011
Energy: 0.589972098415998
Energy: 0.5652422748371868
Energy: 0.5795448743329343
Energy: 0.6003979730570895
Energy: 0.5692015183484164
Energy: 0.5993087446794104
Energy: 0.5995861840355068
Energy: 0.5747719597542834
Energy: 0.5671989603835128
Energy: 0.6016988850277771
Energy: 0.5499695888366644
Energy: 0.5670848817585175
Energy: 0.5799472542502854
Energy: 0.5522359427935176
Energy: 0.566179739691619
Energy: 0.6107378831943489
Energy: 0.6672551785660619
Energy: 0.5988919900254926
Energy: 0.603469867625737
Energy: 0.5927623751786077
Energy: 0.6287503937652957
Energy: 0.6085687464131064
Energy: 0.7558109535662989
Energy: 0.6743086415331542
Energy: 0.7039224033828133
Energy: 0.8009372719950065
Energy: 0.6075505360503467
Energy: 0.7014707554665649
Energy: 0.5685525461584722
Energy: 0.6352973589034093
Energy: 0.5996065584544414
Energy: 0.574163605242409
Energy: 0.6487967659100717
Energy: 0.6514927737333746
Energy: 0.5494467126679701
Energy: 0.5820939539597297
Energy: 0.588539921547319
Energy: 0.5510620599431906
Energy: 0.574399277491288
Energy: 0.5928451321466224
Energy: 0.5588022643284846
Energy: 0.5730075375635776
Energy: 0.5936485088265787
Energy: 0.5582619569844613
Energy: 0.5692640779568936
Energy: 0.6005001970209475
Energy: 0.6426001480782492
Energy: 0.6286097642266467
Energy: 0.6426450525397625
Energy: 0.6170204531604125
Energy: 0.6152432191345575
Energy: 0.6263518866063755
Energy: 0.5969363453702081
Energy: 0.6061330915113385
Energy: 0.5998103609662617
Energy: 0.5949711539754616
Energy: 0.5772406819637468
Energy: 0.5969264147994017
Energy: 0.7088024260489477
Energy: 0.6637579559689866
Energy: 0.6957803911448084
Energy: 0.6325329794996333
Energy: 0.6374054967106748
Energy: 0.5951086848741045
Energy: 0.6207709066080442
Energy: 0.6030344016341243
Energy: 0.6195042941116415
Energy: 0.6114729868428915
Energy: 0.6089936918520199
Energy: 0.6006863064658938
Energy: 0.5741649518500969
Energy: 0.5605376617900273
Energy: 0.5727095403477215
Energy: 0.5740254976579877
Energy: 0.543842706009652
Energy: 0.5811235596047664
Energy: 0.5740727866118228
Energy: 0.5907160429640669
Energy: 0.5953335196301719
Energy: 0.5745978179575519
Energy: 0.5381621037117675
Energy: 0.5876626518958367
Energy: 0.695662055072104
Energy: 0.6262811228398195
Energy: 0.6481218613708448
Energy: 0.7050109158237106
Energy: 0.6534739854492735
Energy: 0.6596868502723956
Energy: 0.5731884742102648
Energy: 0.5777943820192969
Energy: 0.5841411598957378
Energy: 0.5918511178637127
Energy: 0.5824779018846141
Energy: 0.5965840353306567
Energy: 0.5868593158966248
Energy: 0.6443846637878335
Energy: 0.6069005482257488
Energy: 0.5774468003570725
Energy: 0.6501051004459467
Energy: 0.6511920582813661
Energy: 0.5627261850789734
Energy: 0.6508181441414902
Energy: 0.6505473087367265
Energy: 0.587112829835471
Energy: 0.611523316990864
Energy: 0.5717440412412634
Energy: 0.5442251431037568
Energy: 0.5749430520710976
Energy: 0.5920850174811554
Energy: 0.5495487952886696
Energy: 0.5729626438473142
Energy: 0.5803844219974921
Energy: 0.5518939725744465
Energy: 0.5866147910977553
Energy: 0.5885007525272452
Energy: 0.5515234275938175
Energy: 0.5891541016711771
Energy: 0.5803639451186454
Energy: 0.635898370159344
Energy: 0.6842814516313447
Energy: 0.5959526011043259
Energy: 0.7032110743804596
Energy: 0.679987526653463
Energy: 0.5671570429678802
Energy: 0.7887515698482122
Energy: 0.676956024449757
Energy: 0.5888820148904033
Energy: 0.6347935996719786
Energy: 0.6428130690206572
Energy: 0.6553116186964043
Energy: 0.5867051092051226
Energy: 0.5803827343456971
Energy: 0.5882796694454335
Energy: 0.5990097572054689
Energy: 0.5946492788141091
Energy: 0.5933884120570556
Energy: 0.6011633530249754
Energy: 0.6028363459740004
Energy: 0.5815870710617767
Energy: 0.5915790833412476
Energy: 0.6023236681534309
Energy: 0.593738249650563
Energy: 0.5668601676714351
Energy: 0.5569847607411388
Energy: 0.5965541732776775
Energy: 0.5675990460603426
Energy: 0.5498899671610064
Energy: 0.5638062727669364
Energy: 0.5644985737928471
Energy: 0.5812038862461529
Energy: 0.5953517020213849
Energy: 0.5646543084084685
Energy: 0.562402356075596
Energy: 0.5958038833834464
Energy: 0.7312535275056092
Energy: 0.5796942564361082
Energy: 0.6190516322710209
Energy: 0.6480538154716967
Energy: 0.6064455395222598
Energy: 0.6277081037454127

minimum gb energy = 0.5381621037117675 eV
minimum distance =  2.54070050397921 Angstroms
sigma value = 101


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

Energy: 0.773673207935474
Energy: 0.6710960100296778
Energy: 0.6744539357371491
Energy: 0.771567811093636
Energy: 0.8551069518170885
Energy: 0.7955662114757396
Energy: 0.5830601823223375
Energy: 0.5612791437127767
Energy: 0.5782560305525656
Energy: 0.6231201183202212
Energy: 0.5851003630435857
Energy: 0.5944503980447353
Energy: 0.5525426434170683
Energy: 0.5838192042214055
Energy: 0.5978811353849943
Energy: 0.5531644028995749
Energy: 0.5692007917868521
Energy: 0.5533263973183543
Energy: 0.561491452831303
Energy: 0.5788348537668958
Energy: 0.5748342543348486
Energy: 0.5632358127218255
Energy: 0.5584157693056868
Energy: 0.5691487930102466
Energy: 0.5195169360245505
Energy: 0.5527350438265108
Energy: 0.5513953485763102
Energy: 0.5211277728638807
Energy: 0.5528733077269372
Energy: 0.5322094610630796
Energy: 0.542479337468985
Energy: 0.6039847951688646
Energy: 0.578685944931074
Energy: 0.5431292389744085
Energy: 0.6304584837887027
Energy: 0.6039371730045175
Energy: 0.7197939011425393
Energy: 0.6594678034269499
Energy: 0.7005778581605642
Energy: 0.6446771317752554
Energy: 0.625508892737714
Energy: 0.6755198083220701
Energy: 0.5389565551280211
Energy: 0.578432288717655
Energy: 0.5750976105209261
Energy: 0.5385056228723586
Energy: 0.5992853308131494
Energy: 0.5858472841139075
Energy: 0.5103672407259572
Energy: 0.5527087919033765
Energy: 0.5660534009066672
Energy: 0.5080606675275238
Energy: 0.5531534854595824
Energy: 0.5490489332709987
Energy: 0.5155628446492095
Energy: 0.5545599466972001
Energy: 0.5850449462805167
Energy: 0.5198224270239915
Energy: 0.5634097075112442
Energy: 0.5881524905558728
Energy: 0.597632797323257
Energy: 0.6156327979757676
Energy: 0.6525716095144164
Energy: 0.6293229626016126
Energy: 0.6519283555881853
Energy: 0.5434840781263633
Energy: 0.5836895482722131
Energy: 0.5835345209584099
Energy: 0.5929873231352102
Energy: 0.5843295327890714
Energy: 0.5974402689721577
Energy: 0.5852256834006238
Energy: 0.6540153231427454
Energy: 0.6344106393184662
Energy: 0.5458460392354206
Energy: 0.6022870555861198
Energy: 0.6417149603548461
Energy: 0.5759074219751382
Energy: 0.5704017057019721
Energy: 0.5627247228274923
Energy: 0.5618907640679619
Energy: 0.6263659040889867
Energy: 0.5526348797493772
Energy: 0.6449209356585274
Energy: 0.5509172724612789
Energy: 0.5147179063486628
Energy: 0.5240037916928858
Energy: 0.551538041678942
Energy: 0.5096086861897867
Energy: 0.5824070448334059
Energy: 0.6298524756540916
Energy: 0.53137115364998
Energy: 0.5949680704457893
Energy: 0.6290251366852175
Energy: 0.5052037221414618
Energy: 0.5789096409574392
Energy: 0.7756313445619022
Energy: 0.567265612381377
Energy: 0.6415555254731693
Energy: 0.7909160688438704
Energy: 0.7095716847729118
Energy: 0.6487093154971002
Energy: 0.5901436852318517
Energy: 0.5514633697651612
Energy: 0.5517706239662421
Energy: 0.584860820019993
Energy: 0.5617319740043709
Energy: 0.5870746688003322
Energy: 0.5573957349113872
Energy: 0.575490276113846
Energy: 0.6005966801882222
Energy: 0.5581602043775037
Energy: 0.5709315552510832
Energy: 0.5537581202946168
Energy: 0.5606556860253428
Energy: 0.6012725082348974
Energy: 0.5681405877094172
Energy: 0.5733792796385396
Energy: 0.5804028816403679
Energy: 0.5800613271353541
Energy: 0.5275698107221459
Energy: 0.5549570925561754
Energy: 0.551959574914642
Energy: 0.5297592739400463
Energy: 0.5555850184683544
Energy: 0.5341839819046291
Energy: 0.5383024381235598
Energy: 0.5903396812267308
Energy: 0.5888389638027606
Energy: 0.5384130770937556
Energy: 0.5591621353145814
Energy: 0.5939251815350782
Energy: 0.6801287172604563
Energy: 0.709572063414933
Energy: 0.6472162203855018
Energy: 0.6554140444513297
Energy: 0.6704653703943554
Energy: 0.681548139994797
Energy: 0.5525134437864131
Energy: 0.585600321613935
Energy: 0.6436932433925202
Energy: 0.5511321164469485
Energy: 0.6217177651473106
Energy: 0.5527939708963588
Energy: 0.5169030930249588
Energy: 0.5832505357821829
Energy: 0.5638450179275731
Energy: 0.5197080125013788
Energy: 0.5507254374282259
Energy: 0.5779829726637117
Energy: 0.5223384576452402
Energy: 0.567884843492197
Energy: 0.5688473782122809
Energy: 0.513367090058588
Energy: 0.5749347178659897
Energy: 0.5631229383206122
Energy: 0.605108422920324
Energy: 0.6046341838039873
Energy: 0.5962466015745561
Energy: 0.5879575522840229
Energy: 0.6037979877642613
Energy: 0.5907667414238914
Energy: 0.5809893102213906
Energy: 0.5957856522711378
Energy: 0.5466299526301707
Energy: 0.5778474762218813
Energy: 0.6013106242797637
Energy: 0.5649112497504368
Energy: 0.613814774218426
Energy: 0.6395428889174707
Energy: 0.6201341004874725
Energy: 0.6240985931312101
Energy: 0.6472335745141811
Energy: 0.5628341297635651
Energy: 0.6043765040241202
Energy: 0.6233301415955328
Energy: 0.571180587191992
Energy: 0.6016044126924985
Energy: 0.6956731759125806
Energy: 0.6315280676898148
Energy: 0.5808029794837634
Energy: 0.5237570131611693
Energy: 0.5742357972340871
Energy: 0.5814598728526201
Energy: 0.5169852479499341
Energy: 0.5680028989995886
Energy: 0.5922994596580095
Energy: 0.5303354302005541
Energy: 0.5796847192903839
Energy: 0.5513920196857667
Energy: 0.5314962841105579
Energy: 0.5790863401833195
Energy: 0.6844474287343898
Energy: 0.6298817440428167
Energy: 0.6557354486050047
Energy: 0.7218003410210888
Energy: 0.5563179713520763
Energy: 0.5905737957531955

minimum gb energy = 0.5052037221414618 eV
minimum distance =  2.53666958982271 Angstroms
sigma value = 33


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

Energy: 0.011658602877362463
Energy: 0.012427594774640801
Energy: 0.01220258593102859
Energy: 0.012930875411516921
Energy: 0.8957188412316156
Energy: 0.021440089853518907
Energy: 0.01228673616317237
Energy: 0.061202843463184414
Energy: 0.06019696311407301
Energy: 0.06141753942697897
Energy: 0.060712633023414016
Energy: 0.060017601686518714
Energy: 0.678537518808184
Energy: 0.4855907245272307
Energy: 0.48304883060806025
Energy: 0.6760622291848151
Energy: 0.4864133391544721
Energy: 0.48319944310153423
Energy: 0.012286736163525727
Energy: 0.061202843462850695
Energy: 0.06019696311407301
Energy: 0.06141753942662561
Energy: 0.06071263302376737
Energy: 0.06001760168616536

minimum gb energy = 0.011658602877362463 eV
minimum distance =  2.82716967437605 Angstroms
sigma value = 1