Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.84364253282547
cohesive_energy=4.0219588042344245
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.6098627201765e-19, 5.198230045480319e-19, 5.42730926060964e-19, 5.50669711282434e-19, 5.59858194278424e-19, 5.71711097016756e-19, 5.82444078287922e-19, 5.87856230957574e-19, 5.89315813871148e-19, 5.884954994345399e-19, 5.86975033808874e-19, 5.86265269560012e-19, 5.874669020355119e-19, 5.910830146984499e-19, 5.970110682442499e-19, 6.04674279084672e-19, 6.132154827205259e-19, 6.2167978187794795e-19, 6.29243657767062e-19, 6.35344746389334e-19, 6.39713882070252e-19, 6.4244078670132e-19, 6.43889154378456e-19, 6.443377638359759e-19, 6.4386832608221385e-19, 6.423446561032799e-19, 6.39579299232996e-19, 6.353976182182559e-19, 6.296954715778499e-19, 6.22464848428608e-19, 6.13867568610564e-19, 6.039981605451239e-19, 5.92867839468726e-19, 5.802795376553879e-19, 5.65187033763108e-19, 5.45211095490396e-19, 5.164776597362399e-19, 4.740456137613839e-19, 4.1281362716317194e-19, 3.28890012897618e-19, 2.2230040579086596e-19, 9.555717902269139e-20, -5.48606107777842e-20, -2.4749623553715e-19, -5.29714843086348e-19, -1.015424302743252e-18, -2.00499588332028e-18, -4.44849148960002e-18, -1.1584217716810199e-17, -3.50304705787662e-17, -1.21056461023455e-16, -4.833750883011659e-16]
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: 0.012534897253975752
Energy: 0.19863484583713534
Energy: 0.19918032139585626
Energy: 0.40248769242906585
Energy: 0.19748150913997634
Energy: 0.012707647674575988
Energy: 0.19863484583614988
Energy: 0.38511841487745796
Energy: 0.1993168832891433
Energy: 0.1983153410670847
Energy: 0.1987688537414261
Energy: 0.19825395019218991
Energy: 0.19918032144093512
Energy: 0.19931688769023004
Energy: 0.3850973089967444
Energy: 0.01275335943663845
Energy: 0.19802744735890648
Energy: 0.19901732713856482
Energy: 0.40248769242610943
Energy: 0.19831534107502488
Energy: 0.012753359436159786
Energy: 0.01266601584847984
Energy: 0.19867286304397302
Energy: 0.19914679566983198
Energy: 0.19748150913651305
Energy: 0.19876885373497824
Energy: 0.19802744738861175
Energy: 0.19867286302859943
Energy: 0.38521311436548306
Energy: 0.19939639685416166
Energy: 0.012707647674575988
Energy: 0.19825413084082694
Energy: 0.1990173271370725
Energy: 0.19914679565547208
Energy: 0.1993963965609098
Energy: 0.012925959255274662

minimum gb energy = 0.012534897253975752 eV
minimum distance =  2.45919102291303 Angstroms
sigma value = 1


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

Energy: 0.7927635926036496
Energy: 0.5326333338919141
Energy: 0.534004694544036
Energy: 0.5296129338358285
Energy: 0.537501002055745
Energy: 0.5193452254406433
Energy: 0.7292619824091924
Energy: 0.6363911904741457
Energy: 0.5822510887252801
Energy: 0.5221961994830978
Energy: 0.5474782647629225
Energy: 0.5533530094279884
Energy: 0.5323287460718623
Energy: 0.544747833552472
Energy: 0.5967868837655368
Energy: 0.574961975963178
Energy: 0.6622253069056422
Energy: 0.5181751525971936
Energy: 0.5338583919971022
Energy: 0.5416723259773801
Energy: 0.5900199830910061
Energy: 0.6775911604623936
Energy: 0.5243757040187959
Energy: 0.5223074671134548
Energy: 0.5554351256911969
Energy: 0.5128862390583951
Energy: 0.5643134654850611
Energy: 0.5103903945890637
Energy: 0.5925416579399191
Energy: 0.5384667338090892
Energy: 0.5058382832718188
Energy: 0.5676771327259944
Energy: 0.5579421608977592
Energy: 0.5488354112363903
Energy: 0.5856746039279065
Energy: 0.5868045217487201
Energy: 0.5333509760754636
Energy: 0.5925995473774225
Energy: 0.5709191541077226
Energy: 0.5660593828003415
Energy: 0.58889460762607
Energy: 0.5663928972249864
Energy: 0.5033978244324088
Energy: 0.642033978291845
Energy: 0.5469212303359348
Energy: 0.5483412926170771
Energy: 0.5693670772878542
Energy: 0.525031563313731
Energy: 0.563290674504042
Energy: 0.5655873374770387
Energy: 0.569273618477692
Energy: 0.6365254655574497
Energy: 0.5672060799633846
Energy: 0.622876529138083
Energy: 0.5633250421142506
Energy: 0.5582130275908775
Energy: 0.5712244987639328
Energy: 0.6109301606136205
Energy: 0.5682618142183308
Energy: 0.593579339999595
Energy: 0.517298341029217
Energy: 0.5709025790284442
Energy: 0.5709494082267179
Energy: 0.5809809227326007
Energy: 0.6156821226905803
Energy: 0.5613468950951359
Energy: 0.5329363262677579
Energy: 0.5387877935855171
Energy: 0.532127103878938
Energy: 0.5515731008830758
Energy: 0.56766486554667
Energy: 0.5320708622810048
Energy: 0.5313788186599271
Energy: 0.5686622328191434
Energy: 0.6023074388871715
Energy: 0.551221655494537
Energy: 0.5641770312863078
Energy: 0.5491418097129089
Energy: 0.563334240673129
Energy: 0.5183857193308319
Energy: 0.5208756572659793
Energy: 0.5470818867089752
Energy: 0.6288585257509127
Energy: 0.5784445063360287
Energy: 0.5431248984678985
Energy: 0.5599409030856406
Energy: 0.5335848718763461
Energy: 0.5140660602413444
Energy: 0.5462227329534671
Energy: 0.6343082190506067
Energy: 0.5315873278574681
Energy: 0.5686430536762197
Energy: 0.527038257900969
Energy: 0.5065699358844605
Energy: 0.5671087263217056
Energy: 0.6266568913909988
Energy: 0.5055555634360326
Energy: 0.5876963491970527
Energy: 0.6487027624952272
Energy: 0.5170453404576884
Energy: 0.5888163739090563
Energy: 0.5799027536600742
Energy: 0.5381369245752292
Energy: 0.5645943793164914
Energy: 0.5834119556880392
Energy: 0.6410555133695669
Energy: 0.6044821047202257
Energy: 0.5527281575067936
Energy: 0.5652948552804286
Energy: 0.5788982851198171
Energy: 0.5908203846326869
Energy: 0.5602062483147255
Energy: 0.598414721833092
Energy: 0.5655214409167094
Energy: 0.5316004369747735
Energy: 0.5637837610612535
Energy: 0.5918418826644019
Energy: 0.5205790607062591
Energy: 0.593668763629411
Energy: 0.5593469892754561
Energy: 0.6512710932400786
Energy: 0.5704825501758932
Energy: 0.603831161791437
Energy: 0.6249901005037255
Energy: 0.5606745694435264
Energy: 0.5558086341921966
Energy: 0.5285613633116444
Energy: 0.5733316705927387
Energy: 0.5863263635478856
Energy: 0.5158141218292603
Energy: 0.5939413085103415
Energy: 0.5637548236353396
Energy: 0.49824168107236133
Energy: 0.6027650231944454
Energy: 0.5725761600515924
Energy: 0.5288796259314331
Energy: 0.5288899418629631
Energy: 0.5555302175469146

minimum gb energy = 0.49824168107236133 eV
minimum distance =  2.27520792843127 Angstroms
sigma value = 33


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

Energy: 0.6421799930848681
Energy: 0.5621328025853791
Energy: 0.4914881514250474
Energy: 0.5214682847276932
Energy: 0.4917143579253669
Energy: 0.5829779199202618
Energy: 0.5099384948530828
Energy: 0.6280834228347628
Energy: 0.521390292146382
Energy: 0.514215192626142
Energy: 0.5645747105517246
Energy: 0.6029789170159816
Energy: 0.5583307081008351
Energy: 0.5540759064162165
Energy: 0.6563584626598652
Energy: 0.5613504071716133
Energy: 0.6071119408972471
Energy: 0.5616145347999374
Energy: 0.5210437883895119
Energy: 0.5466961151851186
Energy: 0.6417204587105325
Energy: 0.6267859152296824
Energy: 0.6288652492570402
Energy: 0.5588164757182595
Energy: 0.5248081414717027
Energy: 0.5323136779592361
Energy: 0.5601325979475038
Energy: 0.5980775173066444
Energy: 0.6210777606853758
Energy: 0.5329907628332187
Energy: 0.5756084493554001
Energy: 0.5885682811926655
Energy: 0.5996464861762091
Energy: 0.5852715910892944
Energy: 0.6065159948627101
Energy: 0.6180504649503069
Energy: 0.5405129937412311
Energy: 0.5897784666771022
Energy: 0.6340118337192747
Energy: 0.6297635423254115
Energy: 0.6134107222928634
Energy: 0.6178348176632847
Energy: 0.5504125281922887
Energy: 0.5749179921876677
Energy: 0.5847894857546498
Energy: 0.5521611698051037
Energy: 0.5878792233075816
Energy: 0.573895021498709
Energy: 0.5274915108364377
Energy: 0.6150500025621057
Energy: 0.5698631941872404
Energy: 0.551687008226337
Energy: 0.6144420095240536
Energy: 0.628879984324474
Energy: 0.5587809034707133
Energy: 0.6621946483074386
Energy: 0.5413633300067061
Energy: 0.5413010942053061
Energy: 0.5394841864468773
Energy: 0.6479708430494738
Energy: 0.5519623031190707
Energy: 0.5769370152811433
Energy: 0.5835656675177584
Energy: 0.5622324988001578
Energy: 0.6234274443629924
Energy: 0.5434075340003988
Energy: 0.5297501190767211
Energy: 0.5068056803302488
Energy: 0.6547136054497735
Energy: 0.6391655945163416
Energy: 0.5324343886809937
Energy: 0.4944922571985824
Energy: 0.4886266530283906
Energy: 0.5067362356563209
Energy: 0.6347398708547014
Energy: 0.5586585192977722
Energy: 0.5613604263583785
Energy: 0.4884119550311094
Energy: 0.4986332676780308
Energy: 0.6509899056941413
Energy: 0.5826342045663329
Energy: 0.606512491024364
Energy: 0.6114042008762978
Energy: 0.540848290369878
Energy: 0.5348217520650551
Energy: 0.6457194461800175
Energy: 0.6158099516810052
Energy: 0.5544193172696645
Energy: 0.5996572525254503
Energy: 0.6047638014725946
Energy: 0.5638024449980373
Energy: 0.6075034203401405
Energy: 0.6054234174076757
Energy: 0.631646070312092
Energy: 0.6128048127233681
Energy: 0.6358737655978876
Energy: 0.5696538148646061
Energy: 0.58477418760584
Energy: 0.629933128968313
Energy: 0.5517708300316322
Energy: 0.6269666121732376
Energy: 0.5667803854085387
Energy: 0.5167595301918547
Energy: 0.6130634197280231
Energy: 0.6211094605992317
Energy: 0.6333121453224645
Energy: 0.6172901200269247
Energy: 0.5945771145769776
Energy: 0.5825371608866688
Energy: 0.6209736907374342
Energy: 0.6178810068252053
Energy: 0.6250623207560921
Energy: 0.5995153014422919
Energy: 0.6011317930832548
Energy: 0.4855194319742155
Energy: 0.5242463707620206
Energy: 0.569986275016611
Energy: 0.6474019130617525
Energy: 0.6295348637121346
Energy: 0.4768498587682735
Energy: 0.4994911658101632
Energy: 0.5019021951894458
Energy: 0.6045212509393434
Energy: 0.6614047463717941
Energy: 0.6110264164194917
Energy: 0.4900771578723438
Energy: 0.5234452778347777
Energy: 0.5089403489393098
Energy: 0.6567762130160872
Energy: 0.555549701381506
Energy: 0.64314303801377
Energy: 0.5168517671008028
Energy: 0.50541402378186
Energy: 0.6264360468768231
Energy: 0.5569501817202986
Energy: 0.5855841278294733
Energy: 0.5664762409564135
Energy: 0.5911382754766942
Energy: 0.652534795170525
Energy: 0.6098765715806138
Energy: 0.5328888803420843
Energy: 0.5890692637886754
Energy: 0.5450651741364058
Energy: 0.5931444081991492
Energy: 0.5298095299882312
Energy: 0.626634395725062
Energy: 0.5428664495960159
Energy: 0.5565201691107429
Energy: 0.6177530523443387
Energy: 0.6100546596097479
Energy: 0.5675159434861848
Energy: 0.6064613282136487
Energy: 0.5922638807638814
Energy: 0.5550017778699387
Energy: 0.5935660870086015
Energy: 0.5634654621126794
Energy: 0.5535573325893824
Energy: 0.5900330872050301
Energy: 0.6055658179225818
Energy: 0.5897754560880181
Energy: 0.5973060190584965
Energy: 0.6194452482329952
Energy: 0.5803319483280365
Energy: 0.5900467721212417
Energy: 0.5831385352890676
Energy: 0.5957470377290572
Energy: 0.5956451576281285
Energy: 0.5629157363339644
Energy: 0.5531079017188648
Energy: 0.6145618691200967
Energy: 0.6278808738663704
Energy: 0.5474282388084818
Energy: 0.6196228833512272
Energy: 0.5630489614596829
Energy: 0.560536700459658
Energy: 0.5443905821302603
Energy: 0.6364800179190085
Energy: 0.7699802931673838
Energy: 0.5618872232570883
Energy: 0.5243038277556414
Energy: 0.559055801070917
Energy: 0.5829342955048502
Energy: 0.5826639757334401
Energy: 0.5794581840327706
Energy: 0.6634113242751407
Energy: 0.5602750298046081
Energy: 0.46262476964120053
Energy: 0.5264328470822419
Energy: 0.5027821560633311
Energy: 0.5190414145034657
Energy: 0.5027347079571333
Energy: 0.6758187354593627
Energy: 0.6186760022440512
Energy: 0.6039211929141621
Energy: 0.5013520673262767
Energy: 0.49531440538865107
Energy: 0.49895642592888556
Energy: 0.5735907466956376
Energy: 0.6490667597134213
Energy: 0.6055758876487647
Energy: 0.5306523231541016
Energy: 0.5095017004504017
Energy: 0.6523773432866572
Energy: 0.5888065989818005
Energy: 0.5510998182408693
Energy: 0.5956746976776868
Energy: 0.6263641286209419
Energy: 0.7113608880586719
Energy: 0.612855314836593
Energy: 0.5906311664934716
Energy: 0.6468306160918947
Energy: 0.6149277272396146
Energy: 0.6048066273488985
Energy: 0.5639152596441339
Energy: 0.6120850255031778
Energy: 0.5855771505419757
Energy: 0.5593890082493268
Energy: 0.6114365582227844
Energy: 0.5653620642744696
Energy: 0.5577635266534193
Energy: 0.6325386870429651
Energy: 0.5744478109721662
Energy: 0.6911710107221976
Energy: 0.6095708227130835
Energy: 0.6354561322116041
Energy: 0.5474324566767619
Energy: 0.6104846588839377
Energy: 0.603281188910858
Energy: 0.5863822303066265
Energy: 0.5951829079020272
Energy: 0.6297800952622996
Energy: 0.5249752140466756
Energy: 0.6120385029548323
Energy: 0.6052102125435086
Energy: 0.5640640355437412
Energy: 0.6210344071691607
Energy: 0.524612255113903
Energy: 0.4919397252744991
Energy: 0.5255988555939587
Energy: 0.5800902213147106
Energy: 0.4640840777102761
Energy: 0.6174152146404797
Energy: 0.5006793557138444
Energy: 0.4927425110872761
Energy: 0.5010205129093992
Energy: 0.6503212277984564

minimum gb energy = 0.46262476964120053 eV
minimum distance =  2.26019570876031 Angstroms
sigma value = 51


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

Energy: 0.9832440587681766
Energy: 0.5439182181328422
Energy: 0.5659339140502417
Energy: 0.570680432083872
Energy: 0.5421702503382713
Energy: 0.5874912322509949
Energy: 0.47004321961212364
Energy: 0.6248333031117526
Energy: 0.5399460118993171
Energy: 0.5248862270710312
Energy: 0.5887513721392186
Energy: 0.6071847691757886
Energy: 0.5251309126036321
Energy: 0.511091058101135
Energy: 0.6043009314695461
Energy: 0.59312016632528
Energy: 0.5876141762437648
Energy: 0.5429648757752161
Energy: 0.5292488337904384
Energy: 0.5474680907266297
Energy: 0.5133471454359502
Energy: 0.626656006885315
Energy: 0.5900794484273261
Energy: 0.5515564854565858
Energy: 0.5252588727070765
Energy: 0.5867287010701777
Energy: 0.5944971137473709
Energy: 0.5704856116945418
Energy: 0.6072557328718372
Energy: 0.5099981187053723
Energy: 0.69488470991081
Energy: 0.6198875336770251
Energy: 0.5957167363898579
Energy: 0.5269350030546578
Energy: 0.6266092220043717
Energy: 0.6622129688843553
Energy: 0.694885056496893
Energy: 0.6136360586356197
Energy: 0.6072165313306978
Energy: 0.6661895272089318
Energy: 0.6149725443286208
Energy: 0.6421299750620267
Energy: 0.524782100045528
Energy: 0.6083161957285468
Energy: 0.5555159062358809
Energy: 0.5254403753555945
Energy: 0.5905821411707722
Energy: 0.6008746720503267
Energy: 0.36084312236509464
Energy: 0.5871169809206278
Energy: 0.5019766161449539
Energy: 0.5333191731034012
Energy: 0.5365555260619088
Energy: 0.6163237942715676
Energy: 0.6694358283038878
Energy: 0.648522848365171
Energy: 0.5463223174663722
Energy: 0.565079695274726
Energy: 0.5467054024805469
Energy: 0.6136609804303457
Energy: 0.5283140167910432
Energy: 0.5963785950469241
Energy: 0.5006682822704694
Energy: 0.5231987760233894
Energy: 0.6077596886059964
Energy: 0.4968474005530655
Energy: 0.525124696121025
Energy: 0.5116739719283798
Energy: 0.5132614391023133
Energy: 0.623485753190911
Energy: 0.5981435550286791
Energy: 0.5257753632733768
Energy: 0.48660311759985997
Energy: 0.5205426498982093
Energy: 0.5733273152143755
Energy: 0.6233839652410325
Energy: 0.587071634330286
Energy: 0.5203764475369997
Energy: 0.5248626332546744
Energy: 0.7097790471850778
Energy: 0.5946137893054185
Energy: 0.5250293530546039
Energy: 0.610318862383685
Energy: 0.5272817363807341
Energy: 0.693196013134175
Energy: 0.6503098527204465
Energy: 0.6170662336591237
Energy: 0.6843732723177074
Energy: 0.6219657429466243
Energy: 0.6701440245454809
Energy: 0.5251113356702143
Energy: 0.611076495847965
Energy: 0.5963301409617917
Energy: 0.6834385911349129
Energy: 0.5993268529194395
Energy: 0.6457214607537577
Energy: 0.5242281052796037
Energy: 0.6210831566171592
Energy: 0.635809515587756
Energy: 0.5245518730174266
Energy: 0.578369211281457
Energy: 0.6018788788173269
Energy: 0.6669430517555988
Energy: 0.6116293824933549
Energy: 0.5463341425138499
Energy: 0.518033712388503
Energy: 0.549413856337341
Energy: 0.6254136981623114

minimum gb energy = 0.36084312236509464 eV
minimum distance =  2.26875889273655 Angstroms
sigma value = 19


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

Energy: 0.7683146966798229
Energy: 0.6094453947693159
Energy: 0.5848493351002054
Energy: 0.6171969276531176
Energy: 0.6212725028965833
Energy: 0.62377068985934
Energy: 0.54299834518409
Energy: 0.6761960958061062
Energy: 0.5529871096751653
Energy: 0.4935170943464139
Energy: 0.5726626686569759
Energy: 0.5598342008878383
Energy: 0.5881388081819928
Energy: 0.6437416625844276
Energy: 0.6735660449231767
Energy: 0.5171439652536284
Energy: 0.6881600834679785
Energy: 0.6481557294599676
Energy: 0.5865118973605402
Energy: 0.6273792730477051
Energy: 0.6497223621764681
Energy: 0.6244111230116819
Energy: 0.6360665639368284
Energy: 0.6399848732960632
Energy: 0.5851719376264815
Energy: 0.6380374322024535
Energy: 0.5427977430938979
Energy: 0.5240437652708919
Energy: 0.646253888971917
Energy: 0.6619911254702697
Energy: 0.6559186950536264
Energy: 0.6156462796752065
Energy: 0.6260821114791988
Energy: 0.5599830192093513
Energy: 0.6365179774343608
Energy: 0.6439964915701042
Energy: 0.5845111745043106
Energy: 0.6236522776795337
Energy: 0.5896019220336836
Energy: 0.5430538267771227
Energy: 0.6206084863148882
Energy: 0.6410835913468351
Energy: 0.5430925584229123
Energy: 0.6542553382525632
Energy: 0.6381175979135733
Energy: 0.49261573506820566
Energy: 0.6366777701231545
Energy: 0.6134805625046942
Energy: 0.581742435416072
Energy: 0.6134302686270515
Energy: 0.5568847658108526
Energy: 0.4944433589680742
Energy: 0.5554912082454664
Energy: 0.6420477780538262
Energy: 0.7712733239894461
Energy: 0.6207820747535975
Energy: 0.5850610347221292
Energy: 0.6166957867203072
Energy: 0.634454556211726
Energy: 0.6283400968724264
Energy: 0.5831994395219635
Energy: 0.6342382221550084
Energy: 0.5503937151592868
Energy: 0.579299220854769
Energy: 0.6403612488508801
Energy: 0.5601270108332862
Energy: 0.5909231763334912
Energy: 0.6389066041785612
Energy: 0.6678116017274391
Energy: 0.6174124921382806
Energy: 0.6079021800904982
Energy: 0.6491878149729908
Energy: 0.6385199726209014
Energy: 0.6209769580737211
Energy: 0.6183794007695824
Energy: 0.6241389739224465
Energy: 0.61807264836098
Energy: 0.6564040158035771
Energy: 0.5420071652171765
Energy: 0.6689976774595171
Energy: 0.6103552326575479
Energy: 0.5186486232034382
Energy: 0.6620774866637048
Energy: 0.5864241481785557
Energy: 0.5832420781974781
Energy: 0.5908218517927493
Energy: 0.6578018151868369
Energy: 0.5375740276164075
Energy: 0.6103855733644775
Energy: 0.5511460616978766
Energy: 0.5625313531952776
Energy: 0.5849168520346458
Energy: 0.6449156475172049
Energy: 0.5439010702502679
Energy: 0.6221287377409475
Energy: 0.6083428841280317
Energy: 0.5000762553630308
Energy: 0.5607309840937507
Energy: 0.5602777301840217
Energy: 0.5667003678487108
Energy: 0.624268326921688
Energy: 0.49400251360712183
Energy: 0.688070960941959
Energy: 0.6431397364067667
Energy: 0.6576991231072818
Energy: 0.5751146575920636
Energy: 0.6288348405309725
Energy: 0.6756143917388185
Energy: 0.6924745809206712
Energy: 0.670705515685748
Energy: 0.6170373304348603
Energy: 0.6817002748883924
Energy: 0.6557163808538189
Energy: 0.6521020273820437
Energy: 0.49705547804747574
Energy: 0.6477741896185774
Energy: 0.6089643315052907
Energy: 0.6595633278507839
Energy: 0.6668458471770261
Energy: 0.5452309632228562
Energy: 0.5827855085487679
Energy: 0.636198873903379
Energy: 0.6180262422795986
Energy: 0.6455228963178888
Energy: 0.6140223005306
Energy: 0.6332158079453728
Energy: 0.5044953652587968
Energy: 0.6068615732939651
Energy: 0.6314140102342619
Energy: 0.5743860467766914
Energy: 0.6249661484614948
Energy: 0.6304557134403473
Energy: 0.4939948261422605
Energy: 0.6115250446781373
Energy: 0.6237022356230695
Energy: 0.5851194178206331
Energy: 0.6369380753984412
Energy: 0.5699141671601287
Energy: 0.49999858260463625
Energy: 0.5513386669836411
Energy: 0.6384515069312224
Energy: 0.5455103799801357
Energy: 0.6050118673617498
Energy: 0.550843948159667
Energy: 0.5833112148765569
Energy: 0.5928596755522871
Energy: 0.5921738839298646
Energy: 0.5610129084651763
Energy: 0.6052112125839001
Energy: 0.5919592200976403
Energy: 0.5423874737049993
Energy: 0.6486245987932747
Energy: 0.6553868377414601
Energy: 0.5957535636510337
Energy: 0.661878065954356
Energy: 0.5777210709860895
Energy: 0.7178736972363791
Energy: 0.6074531711978112
Energy: 0.6252425783955486
Energy: 0.6226325134017396
Energy: 0.6184960133278123
Energy: 0.603569296414664
Energy: 0.6229099936809865
Energy: 0.6406043595828431
Energy: 0.6607583558803829
Energy: 0.6390710621227126
Energy: 0.6065507103786504
Energy: 0.6618570122073806
Energy: 0.5722848710816311
Energy: 0.6385015500641967
Energy: 0.6024347746274826
Energy: 0.5791707335708616
Energy: 0.6448933219423021
Energy: 0.5806738515453496
Energy: 0.7424859177882089
Energy: 0.6088445185202542
Energy: 0.592957823913813
Energy: 0.6093372141867726
Energy: 0.6338748650217328
Energy: 0.6545807686571974

minimum gb energy = 0.49261573506820566 eV
minimum distance =  2.25272199865418 Angstroms
sigma value = 27


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

Energy: 1.0399008971397279
Energy: 0.760736688020895
Energy: 0.6747594080754994
Energy: 0.7183392463495806
Energy: 0.6727729787914981
Energy: 0.598828745057734
Energy: 0.7106873816722498
Energy: 0.6634593261817081
Energy: 0.6341324748047727
Energy: 0.5711623980824657
Energy: 0.654280633500049
Energy: 0.6755380040299409
Energy: 0.7189082548464486
Energy: 0.6816818759465023
Energy: 0.7736056891966929
Energy: 0.68023775139595
Energy: 0.773596596100365
Energy: 0.6277971351429121
Energy: 0.6780062687798883
Energy: 0.6524020189190131
Energy: 0.827073834641728
Energy: 0.6678554650335822
Energy: 0.7651295815143252
Energy: 0.6533612856878795
Energy: 0.6860684594605153
Energy: 0.6329400841374184
Energy: 0.6331410840754038
Energy: 0.5843559651808798
Energy: 0.6435478086016148
Energy: 0.5973477352011817
Energy: 0.8044649106500894
Energy: 0.6328561750946295
Energy: 0.6278935909927044
Energy: 0.5858681373396687
Energy: 0.6260462636262847
Energy: 0.6148919613061704
Energy: 0.7926420413000149
Energy: 0.6548334305009855
Energy: 0.6798488240238315
Energy: 0.6593989438003252
Energy: 0.6023280633682327
Energy: 0.6167052084678291
Energy: 0.7017442363761278
Energy: 0.6292911600662503
Energy: 0.612565722731956
Energy: 0.5851879647682308
Energy: 0.628035411307238
Energy: 0.6229063262734506
Energy: 0.6854450175952994
Energy: 0.7611177969990822
Energy: 0.6076027755851374
Energy: 0.5841599015180462
Energy: 0.5760589800839824
Energy: 0.5978175404593974
Energy: 0.6961247141795812
Energy: 0.7613397335746551
Energy: 0.7481895317984969
Energy: 0.6198683504805902
Energy: 0.7145094644373091
Energy: 0.723723228609397
Energy: 0.7190376260718259
Energy: 0.6962474533429006
Energy: 0.6404004873238294
Energy: 0.616805213980412
Energy: 0.6607637131548735
Energy: 0.6530253842041196
Energy: 0.8020660458133714
Energy: 0.674792615939135
Energy: 0.6354201711173808
Energy: 0.578905884611704
Energy: 0.6555628962340763
Energy: 0.6572362097507267

minimum gb energy = 0.5711623980824657 eV
minimum distance =  2.27182468835236 Angstroms
sigma value = 9


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

Energy: 0.69402782070603
Energy: 0.7026449928690398
Energy: 0.6197812883333692
Energy: 0.6046094727694269
Energy: 0.61994758882038
Energy: 0.6365323268948587
Energy: 0.5990825803015389
Energy: 0.6509250109719468
Energy: 0.6133437065556804
Energy: 0.6120373842076914
Energy: 0.6432671594661237
Energy: 0.6455577864337058
Energy: 0.579171424734363
Energy: 0.6568672408501449
Energy: 0.6627035569274238
Energy: 0.6117248321694984
Energy: 0.6571427394658059
Energy: 0.6520175976889659
Energy: 0.6185097384298592
Energy: 0.6521670683321185
Energy: 0.6514503113499693
Energy: 0.6381677563847652
Energy: 0.6421451981157145
Energy: 0.6431413467812522
Energy: 0.597485286677321
Energy: 0.6715417539832015
Energy: 0.6617712660359043
Energy: 0.5878263346410798
Energy: 0.6212499765707776
Energy: 0.6426356856891866
Energy: 0.6708862763379173
Energy: 0.6470188491493505
Energy: 0.6403958382997266
Energy: 0.5779207490362505
Energy: 0.6587884843256188
Energy: 0.6337365312461561
Energy: 0.602214423587704
Energy: 0.6234456581293283
Energy: 0.6294175272292951
Energy: 0.6538829591632642
Energy: 0.6379315658532713
Energy: 0.6246939713261616
Energy: 0.6198321165993511
Energy: 0.6455018560672224
Energy: 0.6349890101412985
Energy: 0.5782720236199613
Energy: 0.6227247979894062
Energy: 0.6119711911024368
Energy: 0.5935792999351677
Energy: 0.6460552246537321
Energy: 0.6413804399696432
Energy: 0.6268053960113834
Energy: 0.6404316417323744
Energy: 0.6261566249482399
Energy: 0.6246870006006098
Energy: 0.6290779771306902
Energy: 0.6441249802994451
Energy: 0.6500767488238834
Energy: 0.6477011980555362
Energy: 0.6150460010594724
Energy: 0.6150966909132913
Energy: 0.6184130249166713
Energy: 0.6469833071780471
Energy: 0.6346863053928096
Energy: 0.6475041270280147
Energy: 0.6452338686285762
Energy: 0.5952699857832496
Energy: 0.6711731440666017
Energy: 0.6132818301480394
Energy: 0.5779850817556316
Energy: 0.6738180952409819
Energy: 0.6470946370589005
Energy: 0.6317866427319465
Energy: 0.6287931799776949
Energy: 0.6433708919898241
Energy: 0.637459680816462
Energy: 0.606214923213086
Energy: 0.6392867102187911
Energy: 0.5946038443021308
Energy: 0.6096755705766546
Energy: 0.6329984188809583
Energy: 0.6376237501653498
Energy: 0.629812969611361
Energy: 0.6615736064373079
Energy: 0.613671220754858
Energy: 0.6272154089530121
Energy: 0.607051586814589
Energy: 0.6139593213429273
Energy: 0.6297884237169797
Energy: 0.6313294881043925
Energy: 0.717365264224355
Energy: 0.659013832518011
Energy: 0.6498929883768595
Energy: 0.6468794190027547
Energy: 0.6099842862176305
Energy: 0.6403654352363577
Energy: 0.6137141189267032
Energy: 0.6192409571535297
Energy: 0.6323798334725077
Energy: 0.5651095735466825
Energy: 0.6666845734315523
Energy: 0.6334364384603426
Energy: 0.5787474702923723
Energy: 0.606886176858506
Energy: 0.6537687328745742
Energy: 0.6421162453552246
Energy: 0.6766317357161915
Energy: 0.6034005166023997
Energy: 0.6126915433586375
Energy: 0.6157639088726047
Energy: 0.6455987143001671
Energy: 0.6338624702358344
Energy: 0.6372653929014344
Energy: 0.6496675932877549
Energy: 0.6870021627274389
Energy: 0.6367866347305934
Energy: 0.6295432418160087
Energy: 0.639485499285967
Energy: 0.6498274270121561
Energy: 0.6410464343231145
Energy: 0.651353404807062
Energy: 0.6463804411353228
Energy: 0.6587327762977486
Energy: 0.6052336121005036
Energy: 0.6641102631272576
Energy: 0.6286507338372427
Energy: 0.611734586447111
Energy: 0.6307286298304494
Energy: 0.6332783685898744
Energy: 0.6479046862421539
Energy: 0.5897576603129175
Energy: 0.6150277207158202
Energy: 0.5986355163281606
Energy: 0.6487412140943171
Energy: 0.6955648686286212
Energy: 0.6041994174313908
Energy: 0.671439045336933
Energy: 0.6570800603187037
Energy: 0.6657073518897823
Energy: 0.642889159257249
Energy: 0.6756932226874443
Energy: 0.6379512356697389
Energy: 0.6212522950647684
Energy: 0.640588965602126
Energy: 0.6818737477436222
Energy: 0.66103528329653
Energy: 0.6519564432599476
Energy: 0.653517150190763
Energy: 0.6188809989193808
Energy: 0.6533070890101768
Energy: 0.6674982139875308
Energy: 0.6268009282062517
Energy: 0.6445879398874723
Energy: 0.6393710781970862
Energy: 0.6335097486905279
Energy: 0.6919291785386672
Energy: 0.6122686398716014
Energy: 0.6318516837312852
Energy: 0.6521412254251452
Energy: 0.6128915639462382
Energy: 0.6427829077953162
Energy: 0.6204273863156514
Energy: 0.7682362039596329
Energy: 0.5842989118419137
Energy: 0.6306803996921593
Energy: 0.6138547246460689
Energy: 0.6283650014695698
Energy: 0.662692592474873
Energy: 0.5864112856621864
Energy: 0.7064067540458129
Energy: 0.6059985356024482
Energy: 0.6078578713793222
Energy: 0.5835742338569975
Energy: 0.6820865671060261
Energy: 0.6340940333620784
Energy: 0.6261873563312902
Energy: 0.6316127281566623
Energy: 0.6069272701929925
Energy: 0.664814991005235
Energy: 0.6143143752321261
Energy: 0.7060197991469295
Energy: 0.6376585332129064
Energy: 0.6387574972286665
Energy: 0.6668852232468647
Energy: 0.6165695944134373
Energy: 0.6418942822674165
Energy: 0.6749830928421062
Energy: 0.6514423706264402
Energy: 0.6668996550726671
Energy: 0.5975033116396367
Energy: 0.6294919710982045
Energy: 0.6558724049873961
Energy: 0.6526544649231797
Energy: 0.6580317311041401
Energy: 0.6566245746961658
Energy: 0.5512552205416166
Energy: 0.6285213335709691
Energy: 0.6341711839287281
Energy: 0.5974161678103738
Energy: 0.6249532708038484
Energy: 0.6673236663327651
Energy: 0.6301828566309319
Energy: 0.6451371779408379
Energy: 0.6557168134935795
Energy: 0.5939289224293072
Energy: 0.6130546019999198
Energy: 0.6677464636957907
Energy: 0.6440047921523695
Energy: 0.6728167158359217
Energy: 0.6060289071840301
Energy: 0.6142437830380557
Energy: 0.6212611783721476
Energy: 0.6504824222168798
Energy: 0.5863392436157833
Energy: 0.5981012962756687
Energy: 0.6015085249709721
Energy: 0.668253705078771
Energy: 0.6171538718266547
Energy: 0.6478160470336858
Energy: 0.5405362944111668
Energy: 0.6514050582127384
Energy: 0.6234917427480088
Energy: 0.6123714593001048
Energy: 0.6329512664425392
Energy: 0.636341288293156
Energy: 0.7339814436138062
Energy: 0.6375166480234468
Energy: 0.6941856796733148
Energy: 0.6454894288996662
Energy: 0.6517906971360907
Energy: 0.6273860666597747
Energy: 0.5729415887630243
Energy: 0.6405310262320875
Energy: 0.6306791317568476
Energy: 0.6631195764399493
Energy: 0.6143690099474433
Energy: 0.6792503050798844
Energy: 0.5516292008932484
Energy: 0.5773776556876687
Energy: 0.6437354715484096
Energy: 0.6098576812376204
Energy: 0.6430970416714867
Energy: 0.6138819650275437
Energy: 0.6546708039553638
Energy: 0.6289997392131448
Energy: 0.6274681544001472
Energy: 0.633046168426911
Energy: 0.6660104990291396
Energy: 0.6405944662226153
Energy: 0.6020875536592301
Energy: 0.6272651030363378
Energy: 0.6487649232289816
Energy: 0.5601388582875221
Energy: 0.6540479818339361
Energy: 0.6447122308309826
Energy: 0.6073761650564011
Energy: 0.6189857769426353
Energy: 0.6269056432809391

minimum gb energy = 0.5405362944111668 eV
minimum distance =  2.27242617534353 Angstroms
sigma value = 57


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

Energy: 1.2884710180425487
Energy: 0.5658239149869582
Energy: 0.5522481838777821
Energy: 0.5862370742797843
Energy: 0.5527681251111186
Energy: 0.5419012774316917
Energy: 0.6852995100705892
Energy: 0.6300747933851063
Energy: 0.6037312520984294
Energy: 0.6014580457472368
Energy: 0.6144233298037497
Energy: 0.6094304614324569
Energy: 0.7134371081476331
Energy: 0.6037726091992084
Energy: 0.5975687462501187
Energy: 0.5936793102859791
Energy: 0.5955278460722808
Energy: 0.6176240260357272
Energy: 0.6562987178307927
Energy: 0.5728317305329897
Energy: 0.612586841502809
Energy: 0.6042675826280963
Energy: 0.5688954434896983
Energy: 0.5242260030107451
Energy: 0.655066903748394
Energy: 0.5798292380751108
Energy: 0.641941860200455
Energy: 0.6186313410605362
Energy: 0.6156815169956121
Energy: 0.5844855146587548
Energy: 0.5794817897466539
Energy: 0.6095560394514019
Energy: 0.6229571666588962
Energy: 0.6314241422141612
Energy: 0.6119327424729827
Energy: 0.6048386632798594
Energy: 0.6069814710449896
Energy: 0.5518827387132907
Energy: 0.5985765899631669
Energy: 0.5584283894055035
Energy: 0.559963429847891
Energy: 0.55968041256923
Energy: 0.6233860333842729
Energy: 0.5715032549371932
Energy: 0.6468057859875321
Energy: 0.6308912904576025
Energy: 0.5963003820371794
Energy: 0.5802269588263342
Energy: 0.6248558129204131
Energy: 0.562063322859873
Energy: 0.6332022636004285
Energy: 0.6371638669009183
Energy: 0.6185730749451201
Energy: 0.5569035474600277
Energy: 0.6062235449215405
Energy: 0.5503536531800988
Energy: 0.5897330098017727
Energy: 0.561153509080445
Energy: 0.5591830705298919
Energy: 0.5417853767939365
Energy: 0.6342118139259673
Energy: 0.5778157413851933
Energy: 0.6586519964685662
Energy: 0.6287458458886175
Energy: 0.6090106263338265
Energy: 0.5885652839899923
Energy: 0.6374689570107311
Energy: 0.6003230012463224
Energy: 0.6324820358290434
Energy: 0.6252396888362857
Energy: 0.6247281194241818
Energy: 0.5755668943973519
Energy: 0.7019675995684123
Energy: 0.6343107388014173
Energy: 0.5890955976329093
Energy: 0.6071728491147401
Energy: 0.6034140704599978
Energy: 0.6335552113570458
Energy: 0.6370183909454828
Energy: 0.6149588628243263
Energy: 0.5902735605251557
Energy: 0.5277094053836777
Energy: 0.5861117707405931
Energy: 0.583835789860847
Energy: 0.7148238928507225
Energy: 0.6306134462864975
Energy: 0.5728942513003275
Energy: 0.6096550649991396
Energy: 0.5862698968336603
Energy: 0.6229396595949599
Energy: 0.6172225677182084
Energy: 0.5970014733415578
Energy: 0.5889730569580243
Energy: 0.544375920969214
Energy: 0.5821418950202033
Energy: 0.5741510858706985
Energy: 0.6799755390708367
Energy: 0.6171309899828438
Energy: 0.5975801939984899
Energy: 0.5617571616842011
Energy: 0.6315637578597673
Energy: 0.6579811292237541
Energy: 0.7093088216807377
Energy: 0.651628728686335
Energy: 0.5753762301693994
Energy: 0.5640096407140295
Energy: 0.5774516545536634
Energy: 0.6166368764062289
Energy: 0.6876203101734457
Energy: 0.619528896078432
Energy: 0.5949782443378723
Energy: 0.5593345813926618
Energy: 0.6009142509076394
Energy: 0.6163269226060378

minimum gb energy = 0.5242260030107451 eV
minimum distance =  2.25090469993891 Angstroms
sigma value = 11


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

Energy: 0.7463383894772202
Energy: 0.6279462987332616
Energy: 0.614292743125411
Energy: 0.6174703125327748
Energy: 0.6094193022657157
Energy: 0.5708116080220073
Energy: 0.7802959482220234
Energy: 0.6067603293915073
Energy: 0.6099254745508941
Energy: 0.6191986937420471
Energy: 0.6002921896724798
Energy: 0.6098384371589047
Energy: 0.6345435850372945
Energy: 0.6020530970938097
Energy: 0.5848118540547649
Energy: 0.6300193946490837
Energy: 0.5848788677049138
Energy: 0.6164700567473445
Energy: 0.5803902189143064
Energy: 0.5985087747443172
Energy: 0.5996077818469021
Energy: 0.6045685424109947
Energy: 0.5993319418373059
Energy: 0.6014718258015345
Energy: 0.6214695662737213
Energy: 0.618679228716313
Energy: 0.6088337784267148
Energy: 0.6393581835324297
Energy: 0.6147930623454599
Energy: 0.5983776420904323
Energy: 0.6529039332779143
Energy: 0.6140765499619483
Energy: 0.6005948052247024
Energy: 0.6159939700070071
Energy: 0.5934827909657198
Energy: 0.6112619772577714
Energy: 0.6027055475560338
Energy: 0.580721899524613
Energy: 0.6152265787095618
Energy: 0.5847326892521811
Energy: 0.6001510342643027
Energy: 0.593372920199461
Energy: 0.6438701907942697
Energy: 0.5849899688998115
Energy: 0.6075267415988134
Energy: 0.6112741423690092
Energy: 0.5969114328977118
Energy: 0.5840051975423088
Energy: 0.6549971520667187
Energy: 0.5956193013083121
Energy: 0.5874074547455193
Energy: 0.6318126335560817
Energy: 0.6031321014531552
Energy: 0.6103943004232357
Energy: 0.6045100525301621
Energy: 0.5700650722469384
Energy: 0.5978159733058154
Energy: 0.5803855551209937
Energy: 0.5947360033100466
Energy: 0.5900572750210128
Energy: 0.6178652854721912
Energy: 0.5811906619712602
Energy: 0.6143707860064143
Energy: 0.6966114420227298
Energy: 0.6097452183586314
Energy: 0.5862641265417392
Energy: 0.6165885337532768
Energy: 0.5919889152065896
Energy: 0.6046841937242979
Energy: 0.6638777307107974
Energy: 0.5772140331242119
Energy: 0.6028309813510095
Energy: 0.615715884158273
Energy: 0.6018974672527484
Energy: 0.6052183354427253
Energy: 0.6594028094912011
Energy: 0.6134692555060144
Energy: 0.5770275083183354
Energy: 0.6029511158682438
Energy: 0.5784504089933062
Energy: 0.5893258382264783
Energy: 0.5925721579444783
Energy: 0.5837189672957136
Energy: 0.6193201021653392
Energy: 0.6386325446020781
Energy: 0.6015030830874765
Energy: 0.6023094924601976
Energy: 0.6822243995422511
Energy: 0.5901026350233433
Energy: 0.6090004002177941
Energy: 0.6657440109306447
Energy: 0.586094961389045
Energy: 0.630112983866329
Energy: 0.6629846940911058
Energy: 0.6021606103249859
Energy: 0.5845114548140592
Energy: 0.6657055237012127
Energy: 0.5970730237014718
Energy: 0.5983469733061532
Energy: 0.6026536422926838
Energy: 0.6104623422772387
Energy: 0.5971255311320102
Energy: 0.6407846455197078
Energy: 0.6335140826173551
Energy: 0.5946734306785212
Energy: 0.6315411654024242
Energy: 0.5974604903014797
Energy: 0.6272372321877789
Energy: 0.6780314772978856
Energy: 0.6026123695691571
Energy: 0.6065217034152698
Energy: 0.5921658877657694
Energy: 0.607337703779373
Energy: 0.5959063129461835
Energy: 0.6738964263582652
Energy: 0.6067299135561408
Energy: 0.6016164284191606
Energy: 0.5781449781438516
Energy: 0.6075815808024538
Energy: 0.6615374326924282
Energy: 0.7831891075297343
Energy: 0.6049696083620477
Energy: 0.5825543353000388
Energy: 0.6084196189000071
Energy: 0.5861566184272684
Energy: 0.5935347370043081
Energy: 0.6872280985101
Energy: 0.5908377553692852
Energy: 0.596393899446811
Energy: 0.6189116130333792
Energy: 0.6116219810685092
Energy: 0.6107728841874566
Energy: 0.6437995125129015
Energy: 0.592937381971233
Energy: 0.5599504949666313
Energy: 0.5681838104009365
Energy: 0.5582930209467664
Energy: 0.5950325439819821
Energy: 0.8137100361337471
Energy: 0.6105735546921711
Energy: 0.5777937477474343
Energy: 0.569513596229159
Energy: 0.6630846404772156
Energy: 0.6058044191803751
Energy: 0.7628912556014694
Energy: 0.5782539241499417
Energy: 0.5973300554689355
Energy: 0.616660729248182
Energy: 0.5955749244615055
Energy: 0.6052380115965534
Energy: 0.7654980246111177
Energy: 0.5922901274961464
Energy: 0.578488758424621
Energy: 0.5769322070704688
Energy: 0.5722271064926828
Energy: 0.5585891201452058

minimum gb energy = 0.5582930209467664 eV
minimum distance =  2.26614727101104 Angstroms
sigma value = 41


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

Energy: 0.8886390999832651
Energy: 0.5492454911583505
Energy: 0.5836273069137315
Energy: 0.5568569431322868
Energy: 0.583126843129274
Energy: 0.6355232940230215
Energy: 0.6059335517623985
Energy: 0.5844493122098723
Energy: 0.5676712587371897
Energy: 0.5826784573349684
Energy: 0.5783311461133163
Energy: 0.5732401217694963
Energy: 0.601518144708624
Energy: 0.6016799033713367
Energy: 0.5442932610961936
Energy: 0.5866892104398587
Energy: 0.565150237277527
Energy: 0.5889151426381204
Energy: 0.6967923797215657
Energy: 0.5507780534306149
Energy: 0.5721923242149765
Energy: 0.5710761248389975
Energy: 0.5662840977851208
Energy: 0.546877650419006
Energy: 0.7404940893040555
Energy: 0.5503368698762843
Energy: 0.5754338984195355
Energy: 0.5672595223438343
Energy: 0.5713270940635489
Energy: 0.5461696009301843
Energy: 0.81288405020245
Energy: 0.5702673806025105
Energy: 0.5624220105427967
Energy: 0.6515482855275955
Energy: 0.546608867447426
Energy: 0.5809453723664072
Energy: 0.7265161489808226
Energy: 0.5713560217340464
Energy: 0.5797970978775405
Energy: 0.5938219787865435
Energy: 0.5886744112746963
Energy: 0.5792911048153825
Energy: 0.6528798381992545
Energy: 0.6055726917295979
Energy: 0.5686803624634689
Energy: 0.5899358244016126
Energy: 0.5707501955444634
Energy: 0.556785231719195
Energy: 0.7098194323986303
Energy: 0.5617242963699954
Energy: 0.5641726289396273
Energy: 0.5966486230522839
Energy: 0.5577791942522544
Energy: 0.5659455862296554
Energy: 0.5975614524619898
Energy: 0.5740423546098666
Energy: 0.584654077361748
Energy: 0.5928641841178016
Energy: 0.5589455456965369
Energy: 0.5867283518089451
Energy: 0.60893979688754
Energy: 0.5573972233440023
Energy: 0.5587842731311182
Energy: 0.5897580802781397
Energy: 0.5510366999587628
Energy: 0.5725571144349094
Energy: 0.5914934756451496
Energy: 0.5636954943997677
Energy: 0.5669587989593161
Energy: 0.5598769509904378
Energy: 0.5637614651113306
Energy: 0.5666113954132349
Energy: 0.5912907415226288
Energy: 0.6119201461323632
Energy: 0.5746921739176563
Energy: 0.5634360265610963
Energy: 0.5692956410067445
Energy: 0.5668707310468736
Energy: 0.586964477049196
Energy: 0.5649970153536241
Energy: 0.5730082625595024
Energy: 0.6325020280761826
Energy: 0.5565753567245332
Energy: 0.5633998928219249
Energy: 0.5937761303399091
Energy: 0.5710002563601648
Energy: 0.5760796432104638
Energy: 0.6501308029188304
Energy: 0.5669033110347437
Energy: 0.5274593043208952
Energy: 0.570228618109785
Energy: 0.5592806596834288
Energy: 0.5870852297466552
Energy: 0.6219271004101723
Energy: 0.5530654251892887
Energy: 0.557549741646948
Energy: 0.58590310187769
Energy: 0.542370651960449
Energy: 0.5471180935920996
Energy: 0.5913761088276006
Energy: 0.5203471168928643
Energy: 0.5620074676528982
Energy: 0.5758478916644156
Energy: 0.569343464410975
Energy: 0.5676842813621858
Energy: 0.5993155306205923
Energy: 0.5759278785368268
Energy: 0.567524353208333
Energy: 0.5912478900484331
Energy: 0.5636463168756901
Energy: 0.574518338413095
Energy: 0.6252218295086668
Energy: 0.5515217031593561
Energy: 0.5655067389869528
Energy: 0.62538096520083
Energy: 0.560768749834158
Energy: 0.5457558880055537
Energy: 0.6213196749706259
Energy: 0.5491154944054314
Energy: 0.5692295960828837
Energy: 0.607388259979381
Energy: 0.5740555936186049
Energy: 0.5652851326260128
Energy: 0.609498078898315
Energy: 0.5673853039390332
Energy: 0.583792323389674
Energy: 0.7084625382540767
Energy: 0.5505780674253541
Energy: 0.5696083437601417
Energy: 0.5898312741378494
Energy: 0.561873727983665
Energy: 0.5571380196768333
Energy: 0.6040722478898984
Energy: 0.5878662562261617
Energy: 0.5684008033126401
Energy: 0.6343557233118841
Energy: 0.565838154264488
Energy: 0.5780474135137106
Energy: 0.6651429784012249
Energy: 0.545961249458287
Energy: 0.605490216048407
Energy: 0.5776588917794548
Energy: 0.5670585670723464
Energy: 0.5649694112863531
Energy: 0.5788016539324612
Energy: 0.5689621140067028
Energy: 0.561531355331429
Energy: 0.6257334785611511
Energy: 0.5659320048376513
Energy: 0.5775141293648887
Energy: 0.6298206203633149
Energy: 0.5506897966245038
Energy: 0.57661923863067
Energy: 0.5995958789063598
Energy: 0.556059692924482
Energy: 0.5543811220760726
Energy: 0.7147958688398507
Energy: 0.5676909552086905
Energy: 0.5754223831996912
Energy: 0.5697140389997252
Energy: 0.5443356782232263
Energy: 0.5503234902223346
Energy: 0.6010312302801789
Energy: 0.5619205574950608
Energy: 0.5699590362224828
Energy: 0.5630454617460366
Energy: 0.5725096312574246
Energy: 0.5648514675894892
Energy: 0.6638831140736915
Energy: 0.5672199980293996
Energy: 0.5309053619463256
Energy: 0.5832600282247482
Energy: 0.5782632054626143
Energy: 0.5768196073778101
Energy: 0.716056031163476
Energy: 0.5537220456907698
Energy: 0.5524733380175813
Energy: 0.5647085547599501
Energy: 0.5519694098884964
Energy: 0.6604849035194345
Energy: 0.6828831989609067
Energy: 0.5670946206578785
Energy: 0.5270510084019119
Energy: 0.5926026644875485
Energy: 0.5525986933752809
Energy: 0.5748021877436614
Energy: 0.6123287198555838
Energy: 0.5425987838882236
Energy: 0.5571398545418661
Energy: 0.5861000335546911
Energy: 0.5578488188988248
Energy: 0.5976614815959491
Energy: 0.803096515738017
Energy: 0.6305834914341772
Energy: 0.5644516150261158
Energy: 0.5675752923000307
Energy: 0.5499469778052847
Energy: 0.5636377353979782

minimum gb energy = 0.5203471168928643 eV
minimum distance =  2.25697897882804 Angstroms
sigma value = 33


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

Energy: 0.6491826928222875
Energy: 0.5324165688414524
Energy: 0.5188416444178967
Energy: 0.5425724949962408
Energy: 0.5313181777891592
Energy: 0.7233631642972919
Energy: 0.7393846522740377
Energy: 0.538589753841136
Energy: 0.5189363867665021
Energy: 0.5462149730306826
Energy: 0.5776923785137074
Energy: 0.5385491259939389
Energy: 0.7181034800725752
Energy: 0.5497013448104311
Energy: 0.5220082088020276
Energy: 0.5352392812834299
Energy: 0.5288825927274973
Energy: 0.5134069910157467
Energy: 0.8270111473063259
Energy: 0.5361289637121321
Energy: 0.5196834911969834
Energy: 0.5521249790994786
Energy: 0.5319814738788333
Energy: 0.5258044329718347
Energy: 0.8269090558283121
Energy: 0.5397389814462288
Energy: 0.544122757724904
Energy: 0.5211707768679316
Energy: 0.5194754261323841
Energy: 0.5124686687248448
Energy: 0.7231035471349764
Energy: 0.5567635029320385
Energy: 0.5283459369113032
Energy: 0.5350496457922765
Energy: 0.5295867157210182
Energy: 0.5404510078029956
Energy: 0.6371841476325986
Energy: 0.539041005230805
Energy: 0.5377696603220992
Energy: 0.5061779437167977
Energy: 0.5182264313715518
Energy: 0.5392696297210264
Energy: 0.5896720499657083
Energy: 0.539307806621089
Energy: 0.5467686304275435
Energy: 0.531923320610317
Energy: 0.543130657878879
Energy: 0.5450166710763465
Energy: 0.6589717952578018
Energy: 0.5146163611599791
Energy: 0.5298885728634565
Energy: 0.5223861025321364
Energy: 0.5150657657340222
Energy: 0.541137853570707
Energy: 0.7144891420392887
Energy: 0.5641774885245042
Energy: 0.5418653398835296
Energy: 0.5476946571393779
Energy: 0.536130101728046
Energy: 0.5608191022233512
Energy: 0.6813005042359124
Energy: 0.5341625192766135
Energy: 0.5517934304909977
Energy: 0.5454063455864882
Energy: 0.5366977788071841
Energy: 0.5427175712674434
Energy: 0.6799703190643908
Energy: 0.5232294437067438
Energy: 0.5371497365202869
Energy: 0.5256581331870295
Energy: 0.540869337737405
Energy: 0.5447614195705724
Energy: 0.5933120365645619
Energy: 0.5251225106314206
Energy: 0.5149205780054366
Energy: 0.5488304986349473
Energy: 0.5252870744952505
Energy: 0.5175664060649001
Energy: 0.6234813103268012
Energy: 0.5202971274226257
Energy: 0.5594718309207363
Energy: 0.5357183534613814
Energy: 0.5274129806110452
Energy: 0.5334348757449108
Energy: 0.5708470248558817
Energy: 0.5128861277237163
Energy: 0.540488959019156
Energy: 0.5699273952016747
Energy: 0.535434176854262
Energy: 0.5343429403153734
Energy: 0.6315737360101645
Energy: 0.5369552094998752
Energy: 0.5328515625985955
Energy: 0.5709755575956372
Energy: 0.5303190027692515
Energy: 0.5414461543596586
Energy: 0.5797152600046966
Energy: 0.5339766581480937
Energy: 0.5449312697130815
Energy: 0.5465031798111933
Energy: 0.5183198494676924
Energy: 0.535948975424897
Energy: 0.5712516307830374
Energy: 0.5200463207315085
Energy: 0.5340125393888321
Energy: 0.5562798877752541
Energy: 0.5372869959787576
Energy: 0.5300471480480198
Energy: 0.5560075060670023
Energy: 0.515400004154359
Energy: 0.5356302619454089
Energy: 0.606257973106702
Energy: 0.5051310630149889
Energy: 0.5142332244729003
Energy: 0.5568550270755422
Energy: 0.5275726883772173
Energy: 0.5791035019094246
Energy: 0.5752208311696748
Energy: 0.5774266996777357
Energy: 0.5393243147317782
Energy: 0.5487199852202446
Energy: 0.48062470240108657
Energy: 0.5611852126313235
Energy: 0.5558388005170845
Energy: 0.49788366788513755
Energy: 0.5130423427597812
Energy: 0.5448350143646737
Energy: 0.5087124878230955
Energy: 0.536328752333588
Energy: 0.5889067445815852
Energy: 0.5513596780460349
Energy: 0.5075835882047102
Energy: 0.5606387800814354
Energy: 0.5350551053951635
Energy: 0.538699681215931
Energy: 0.5728748143724486
Energy: 0.552200726702072
Energy: 0.5019378653352286
Energy: 0.5574980625899353
Energy: 0.5413003807097724
Energy: 0.5182465666837269
Energy: 0.7244209891703595
Energy: 0.49906270207782316
Energy: 0.5217544992870332
Energy: 0.5686583901748673
Energy: 0.5650871208190691
Energy: 0.5394370607835086
Energy: 0.5807705414110597
Energy: 0.5793066870976148
Energy: 0.5444958861561012
Energy: 0.574309173505218
Energy: 0.5321343887033999
Energy: 0.5250212708480365
Energy: 0.5873855659710796
Energy: 0.5393587596110168
Energy: 0.5296683737399035
Energy: 0.5876360254210196
Energy: 0.5300367658921716
Energy: 0.5343668324993229
Energy: 0.5577095933557757
Energy: 0.5346327263769588
Energy: 0.5155768294305985
Energy: 0.5825290935209659
Energy: 0.54027143729822
Energy: 0.521805766142984
Energy: 0.5519270844744701
Energy: 0.5420174574667586
Energy: 0.5494412315774186
Energy: 0.625477885087144
Energy: 0.5299747710699133
Energy: 0.5609617687963353
Energy: 0.5384929365518941
Energy: 0.5348970189936917
Energy: 0.5298493754067769
Energy: 0.6152908454716497
Energy: 0.5397350343334906
Energy: 0.5390776086354617
Energy: 0.5906776525706119
Energy: 0.5415615165630036
Energy: 0.5457813000342169
Energy: 0.6562221132628219
Energy: 0.5460260676084715
Energy: 0.5907127714921796
Energy: 0.599139993839469
Energy: 0.5370374458085216
Energy: 0.5300873009827933
Energy: 0.5634014701631171
Energy: 0.5180726354329057
Energy: 0.5154217629636335
Energy: 0.5641004922843689
Energy: 0.5148768808016458
Energy: 0.5297136438031891
Energy: 0.6388990748974677
Energy: 0.5414227804012008
Energy: 0.5530862280054808
Energy: 0.5414630523068951
Energy: 0.5358685604501333
Energy: 0.5326142621479619
Energy: 0.6879662472668431
Energy: 0.5352828480317577
Energy: 0.5262995795477088
Energy: 0.5433278663431965
Energy: 0.537143669809096
Energy: 0.5499600786230163
Energy: 0.6964827571192777
Energy: 0.5554401836530868
Energy: 0.5254454730682302
Energy: 0.5543350743064847
Energy: 0.5300331486189683
Energy: 0.5639025653827685
Energy: 0.5343644030695308
Energy: 0.5130421446702073
Energy: 0.519752325086752
Energy: 0.5875901569243284
Energy: 0.5162572492821269
Energy: 0.5127924308373861
Energy: 0.628650571654349
Energy: 0.5261191976410965
Energy: 0.5267314929974212
Energy: 0.5289339979687023
Energy: 0.5287204330392994
Energy: 0.590732509378427
Energy: 0.7146748423161883
Energy: 0.5134723322129439
Energy: 0.5699322600159497
Energy: 0.5564501235997533
Energy: 0.5195652006566468
Energy: 0.5149597435338061
Energy: 0.6593140643790995
Energy: 0.5403709275984724
Energy: 0.5386362438281037
Energy: 0.5541874247464136
Energy: 0.5312374928897017
Energy: 0.5540458440767703
Energy: 0.7367757919894462
Energy: 0.5213037115400044
Energy: 0.5408114803273544
Energy: 0.5434076088502184
Energy: 0.5313975737624648
Energy: 0.5293484228594689
Energy: 0.6899469049231053
Energy: 0.5349431957138366
Energy: 0.5184829580263752
Energy: 0.5537562513827577
Energy: 0.5164265406635227
Energy: 0.536635586433295
Energy: 0.7517985997748795
Energy: 0.5422706968082269
Energy: 0.5320765378065678
Energy: 0.528905985060177
Energy: 0.5043418160461847
Energy: 0.5455327816933532
Energy: 0.7306063858589223
Energy: 0.5785224181989512
Energy: 0.5447961504388846
Energy: 0.5363505382990322
Energy: 0.5802584557458069
Energy: 0.5362807940325386
Energy: 0.6992855407483232
Energy: 0.4994140759370253
Energy: 0.5106913963664129
Energy: 0.5356110005849192
Energy: 0.5345865656158504
Energy: 0.5502914744063155
Energy: 0.713856211019167
Energy: 0.5352073673021013
Energy: 0.5056574582744939
Energy: 0.5318606730441301
Energy: 0.5295411301597722
Energy: 0.5394557256687961
Energy: 0.7271362374279204
Energy: 0.5393487093122381
Energy: 0.5227647025609119
Energy: 0.5050471211687227
Energy: 0.5153411856443392
Energy: 0.5380649896487371
Energy: 0.720404768239628
Energy: 0.5065354954794551
Energy: 0.48901968628300313
Energy: 0.5234381566511072
Energy: 0.5098338273926032
Energy: 0.5358155794698356

minimum gb energy = 0.48062470240108657 eV
minimum distance =  2.26453494562406 Angstroms
sigma value = 67


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

Energy: 0.21710197506783135
Energy: 0.30166614962428795
Energy: 0.33905482740469406
Energy: 0.4039612989489873
Energy: 0.3392842173059096
Energy: 0.19173515792150864
Energy: 0.5836411516008472
Energy: 0.31616055390341413
Energy: 0.2991427551416589
Energy: 0.30076177810036303
Energy: 0.31575119073859403
Energy: 0.29742849199251203
Energy: 0.5701952732372478
Energy: 0.2968522835878484
Energy: 0.29850059940275825
Energy: 0.3000607924557719
Energy: 0.2985621289936714
Energy: 0.3289160941431606
Energy: 0.18953091930033564
Energy: 0.3617918807386034
Energy: 0.29750759736130405
Energy: 0.2977932084135134
Energy: 0.29791392465781696
Energy: 0.1759423835953669
Energy: 0.18896264250778905
Energy: 0.36250398073250806
Energy: 0.32772249821654575
Energy: 0.3295384633118691
Energy: 0.32742521945252123
Energy: 0.175870550303449
Energy: 0.570635471662165
Energy: 0.2978778588750676
Energy: 0.2972281096286251
Energy: 0.30192296781510775
Energy: 0.296780728278659
Energy: 0.3279031837832972
Energy: 0.21631852233248153
Energy: 0.33920865465758027
Energy: 0.2838742528078954
Energy: 0.5323550559680905
Energy: 0.3174198204264141
Energy: 0.33881042023451546

minimum gb energy = 0.175870550303449 eV
minimum distance =  2.3415358330771 Angstroms
sigma value = 3


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

Energy: 0.7269825517131451
Energy: 0.49455578494600017
Energy: 0.5167112475550124
Energy: 0.5371110675351273
Energy: 0.5365245493993155
Energy: 0.5593955278041204
Energy: 0.6640054573431946
Energy: 0.52601321093868
Energy: 0.5331082871589177
Energy: 0.5120554140666959
Energy: 0.5405960663998581
Energy: 0.5042017394824496
Energy: 0.949282832439299
Energy: 0.5256102906918378
Energy: 0.5210315296714392
Energy: 0.49889857464407583
Energy: 0.543230653295223
Energy: 0.5184763441078818
Energy: 0.8353068845516328
Energy: 0.5639136296056094
Energy: 0.4918267743589386
Energy: 0.495358639782328
Energy: 0.4944141597296193
Energy: 0.5080177911862278
Energy: 0.6791250489434848
Energy: 0.567630689375707
Energy: 0.5062257277707357
Energy: 0.5060389305787014
Energy: 0.5056604700682
Energy: 0.5080628167769592
Energy: 0.954528785844887
Energy: 0.5317050637423543
Energy: 0.4992098960237981
Energy: 0.4955554788878784
Energy: 0.5369941585167245
Energy: 0.5174536514372838
Energy: 0.9028947412992465
Energy: 0.4987705372177125
Energy: 0.46984521683331915
Energy: 0.5068070867781599
Energy: 0.5172041296167064
Energy: 0.5049454230430487
Energy: 0.673759463784545
Energy: 0.47073788189241744
Energy: 0.5124840605330081
Energy: 0.5214655567646337
Energy: 0.5075490216103755
Energy: 0.47727536622719674
Energy: 0.5575945057448782
Energy: 0.5088788258594528
Energy: 0.4916856722366272
Energy: 0.5185261721669138
Energy: 0.5387122623919177
Energy: 0.5055402817061658
Energy: 0.9007151565322037
Energy: 0.47673444054468705
Energy: 0.5020735671365666
Energy: 0.4934376224229474
Energy: 0.49040374838069134
Energy: 0.5010007640590203
Energy: 0.6649045376746258
Energy: 0.4641054710912366
Energy: 0.4680289938600169
Energy: 0.47326872410024323
Energy: 0.4701737462919442
Energy: 0.47366267680161833
Energy: 0.760625650652985
Energy: 0.4851069092866577
Energy: 0.49611355511299726
Energy: 0.4780349108983518
Energy: 0.4831147354361521
Energy: 0.48643232431219435
Energy: 0.778749772774137
Energy: 0.4755999637557081
Energy: 0.4840273952346854
Energy: 0.5366514418325078
Energy: 0.49522434771077994
Energy: 0.47125243850838355
Energy: 0.7832400281616749
Energy: 0.4772279570199645
Energy: 0.4692832486568727
Energy: 0.47873481036758536
Energy: 0.46639738763071653
Energy: 0.467562661677829
Energy: 0.6339970911178295
Energy: 0.48242065299722037
Energy: 0.47059259554759597
Energy: 0.47458107943391276
Energy: 0.4906425793955269
Energy: 0.4885789132876202
Energy: 0.6835962793209404
Energy: 0.472402307738291
Energy: 0.4968087455406601
Energy: 0.5259569264917991
Energy: 0.4909941208744783
Energy: 0.47117724797994665
Energy: 0.6846540244870924
Energy: 0.47712227172452676
Energy: 0.4795453784295879
Energy: 0.4779376210158303
Energy: 0.47671838106671494
Energy: 0.4710627889613934
Energy: 0.6616311988797611
Energy: 0.4785661118451046
Energy: 0.46986798906391825
Energy: 0.4746492922491216
Energy: 0.4804454602966623
Energy: 0.49600723036370437
Energy: 0.6314940261947162
Energy: 0.49026029313669395
Energy: 0.48130472677434843
Energy: 0.47557315712624015
Energy: 0.5078602882475981
Energy: 0.4788741878591298
Energy: 0.5925611237000903
Energy: 0.46983069754106443
Energy: 0.46832417197098025
Energy: 0.4516133706383628
Energy: 0.47568611275658296
Energy: 0.46676862280269577
Energy: 0.612716122621882
Energy: 0.5069705192045859
Energy: 0.5050352260014948
Energy: 0.49395053369901976
Energy: 0.5187763556165494
Energy: 0.4818923725479019
Energy: 0.5949119208814088
Energy: 0.550915934712244
Energy: 0.5194394324208688
Energy: 0.5040898434188504
Energy: 0.5367760019259994
Energy: 0.526647492533251
Energy: 0.5671406402395557
Energy: 0.4813704569684501
Energy: 0.4600774994844111
Energy: 0.5785995530463507
Energy: 0.5000266452564069
Energy: 0.47802252113132787
Energy: 0.5537827840752368
Energy: 0.5176877593490258
Energy: 0.5270862587207336
Energy: 0.5065990989354233
Energy: 0.5021751127061647
Energy: 0.48393612317090606
Energy: 0.5534035807619854
Energy: 0.5381991146483066
Energy: 0.5285774834344964
Energy: 0.5267176239947459
Energy: 0.5308669613569352
Energy: 0.49451202713781034
Energy: 0.5262702794474834
Energy: 0.5054163413135521
Energy: 0.5305143491326114
Energy: 0.4756994195087584
Energy: 0.5200249192648537
Energy: 0.5049049951249182
Energy: 0.5147675791674675
Energy: 0.49178169975730684
Energy: 0.544794317060231
Energy: 0.48507231240388865
Energy: 0.5114690616213297
Energy: 0.4897290217799113
Energy: 0.5017226794003992
Energy: 0.5277838435587432
Energy: 0.5218291339019929
Energy: 0.5268858640894237
Energy: 0.5247602313786038
Energy: 0.4927634557826213
Energy: 0.5134301628252166
Energy: 0.5167602867789457
Energy: 0.5367335384123841
Energy: 0.5011343486020111
Energy: 0.5267648993907549
Energy: 0.49431320340427715
Energy: 0.5341449458214105
Energy: 0.4898810794505201
Energy: 0.4780907468106122
Energy: 0.4735357817853193
Energy: 0.5120685345095238
Energy: 0.5067785940898285
Energy: 0.5255517515230971
Energy: 0.5573702577051572
Energy: 0.5235826395226892
Energy: 0.5095434854017722
Energy: 0.5461739616708339
Energy: 0.5089099718556593
Energy: 0.546935368902914
Energy: 0.5298505761075593
Energy: 0.5374860213447601
Energy: 0.5066695793501329
Energy: 0.5397150332159042
Energy: 0.5432696839936606
Energy: 0.5351334962778119
Energy: 0.482228610830899
Energy: 0.5146538828812904
Energy: 0.4918495610206766
Energy: 0.498609126308129
Energy: 0.4766837201976944
Energy: 0.6034509012940721
Energy: 0.5095317552791729
Energy: 0.5193272222048148
Energy: 0.4802781818159051
Energy: 0.5309021111604869
Energy: 0.4908770249299339
Energy: 0.5998122698229119
Energy: 0.515099027129483
Energy: 0.5061275444824458
Energy: 0.5050866258685778
Energy: 0.5187911258468759
Energy: 0.512209065978649
Energy: 0.5914908210053881
Energy: 0.47041894724234673
Energy: 0.48472361985248646
Energy: 0.4745602777185158
Energy: 0.47867635726208846
Energy: 0.47656901612624164
Energy: 0.6252729582115539
Energy: 0.4880582676850292
Energy: 0.4801981201757255
Energy: 0.5148886198113949
Energy: 0.4812653530221843
Energy: 0.49775749759250093
Energy: 0.6265165233144189
Energy: 0.5231790841600235
Energy: 0.4693632462244035
Energy: 0.47187070395489017
Energy: 0.494749970330911
Energy: 0.5238113383151874
Energy: 0.5236487018797624
Energy: 0.47639417249808713
Energy: 0.4810389143523236
Energy: 0.4847985768269632
Energy: 0.4583263116628535
Energy: 0.4760581736090217
Energy: 0.6773162595835692
Energy: 0.4616891099819599
Energy: 0.4731495231689305
Energy: 0.562242868496885
Energy: 0.46594963081228963
Energy: 0.4651097937551047
Energy: 0.7072466320342018
Energy: 0.48029608677968816
Energy: 0.4899531363240141
Energy: 0.4705934888438913
Energy: 0.48969064057482586
Energy: 0.47447035482671274
Energy: 0.6286742769642146
Energy: 0.4830169425839563
Energy: 0.4622009634975711
Energy: 0.47285173867619634
Energy: 0.46968563986500594
Energy: 0.4688807859231041
Energy: 0.7776279591477246
Energy: 0.47582912461890836
Energy: 0.4799640843928477
Energy: 0.4691759971099366
Energy: 0.4670441312065217
Energy: 0.48107587085914555
Energy: 0.7652956993798151
Energy: 0.5062564430131299
Energy: 0.4665091128297978
Energy: 0.5365015441101634
Energy: 0.5058662424176691
Energy: 0.48471818212249795
Energy: 0.5711014639879812
Energy: 0.45812066681826125
Energy: 0.4783250293089103
Energy: 0.5197472972730307
Energy: 0.46018378684728445
Energy: 0.4826069171383811
Energy: 0.5677287629291162
Energy: 0.4784510771671318
Energy: 0.48325757383012957
Energy: 0.47844770658012753
Energy: 0.5032651380326587
Energy: 0.4841075285126264
Energy: 0.8898953191580691
Energy: 0.5157363055876705
Energy: 0.5128417885949561
Energy: 0.5210347665035338
Energy: 0.5267125197904623
Energy: 0.5128978713905257
Energy: 0.7833326713542379
Energy: 0.5037558173516329
Energy: 0.5111561138396237
Energy: 0.4898826673994839
Energy: 0.5252556652876528
Energy: 0.4835620281931368
Energy: 0.6575477607050858
Energy: 0.49988292210083807
Energy: 0.4859490570035476
Energy: 0.4934063582485091
Energy: 0.48776634237147565
Energy: 0.4875238879851361
Energy: 0.9432477860975709
Energy: 0.5055869269204535
Energy: 0.5317454614773708
Energy: 0.5002208696117698
Energy: 0.5270970345726752
Energy: 0.5364668174201269
Energy: 0.9721735234825506
Energy: 0.534863245825576
Energy: 0.5062866644291883
Energy: 0.5019174264788643
Energy: 0.5593110593575649
Energy: 0.5053977180984958

minimum gb energy = 0.4516133706383628 eV
minimum distance =  2.30950148524954 Angstroms
sigma value = 81


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

Energy: 0.9177635329525546
Energy: 0.5115335924480879
Energy: 0.5315241460537968
Energy: 0.538226115167838
Energy: 0.5036576544217689
Energy: 0.4905760101746844
Energy: 0.5589362736010363
Energy: 0.4985803692907826
Energy: 0.5296142638097127
Energy: 0.5325698416738767
Energy: 0.5749924556908984
Energy: 0.4917565384641299
Energy: 0.8682285488126141
Energy: 0.49818699447224885
Energy: 0.5302529506809026
Energy: 0.5179021280575068
Energy: 0.5413211045831299
Energy: 0.4933765291179306
Energy: 0.615536660834853
Energy: 0.5192390410144994
Energy: 0.5248351837067714
Energy: 0.5189610611249018
Energy: 0.5401729919764874
Energy: 0.48875419889113697
Energy: 0.8619987123630988
Energy: 0.5428022436488505
Energy: 0.5388313028096867
Energy: 0.5401930953086705
Energy: 0.5532603346120752
Energy: 0.4930532120453176
Energy: 0.8727670748241714
Energy: 0.49777969575304243
Energy: 0.5432753369686789
Energy: 0.5195594808519673
Energy: 0.5354584827729376
Energy: 0.5074238412329458
Energy: 0.5834817966846683
Energy: 0.49981853135215626
Energy: 0.49442710899025444
Energy: 0.5222225986461156
Energy: 0.4920613200352435
Energy: 0.5040580797384966
Energy: 0.4972360359991828
Energy: 0.4861099031280194
Energy: 0.5387428407344915
Energy: 0.5170006668606367
Energy: 0.5235057478050642
Energy: 0.5187966385586099
Energy: 0.7875584680083014
Energy: 0.4875466353524824
Energy: 0.5634734962970576
Energy: 0.5464392035813098
Energy: 0.4995864656678638
Energy: 0.4830402531899641
Energy: 0.788013569044575
Energy: 0.49047148560229786
Energy: 0.46586998558351894
Energy: 0.5121788965404644
Energy: 0.49700805238032714
Energy: 0.49329084410937685
Energy: 0.6751185290392108
Energy: 0.46299137455830347
Energy: 0.4752570370742647
Energy: 0.5022049816353664
Energy: 0.46503888444153313
Energy: 0.471850272988944
Energy: 0.5257525437170911
Energy: 0.5152027878231259
Energy: 0.5012307428625615
Energy: 0.4627529896736707
Energy: 0.5076651691165328
Energy: 0.4987493472100626
Energy: 0.6703771210567773
Energy: 0.4852385415134248
Energy: 0.4674151134869026
Energy: 0.5621494951203316
Energy: 0.49517021262195804
Energy: 0.49940722681612376
Energy: 0.5992231276253244
Energy: 0.4613473978994481
Energy: 0.4817592870925222
Energy: 0.48546120249846125
Energy: 0.4806299249184406
Energy: 0.4623618136773206
Energy: 0.7086504853081838
Energy: 0.5159867108873046
Energy: 0.47595419545898415
Energy: 0.48585594020278217
Energy: 0.5088836973402903
Energy: 0.5023090007389682
Energy: 0.5866037793156018
Energy: 0.5001048961039984
Energy: 0.47870948107126127
Energy: 0.4913435914243726
Energy: 0.5161669963120644
Energy: 0.49447438524967857
Energy: 0.5852731119556276
Energy: 0.4699223071732817
Energy: 0.45703084025864504
Energy: 0.48490604199851584
Energy: 0.5143031209240061
Energy: 0.481036217944419
Energy: 0.6211437532359864
Energy: 0.521474374093179
Energy: 0.4946288125211746
Energy: 0.5252615088648296
Energy: 0.4906601089362147
Energy: 0.5222960680695877
Energy: 0.5897477653300397
Energy: 0.5365914793292939
Energy: 0.5122978915180184
Energy: 0.501847835874341
Energy: 0.5228798164303582
Energy: 0.5327271348578307
Energy: 0.5617770281419767
Energy: 0.5197024550194397
Energy: 0.5025765255295042
Energy: 0.4684492531653268
Energy: 0.5420885711015198
Energy: 0.5137981321257388
Energy: 0.5523134194072422
Energy: 0.5239003846627618
Energy: 0.5117205292547002
Energy: 0.49524188921992196
Energy: 0.4976204949254086
Energy: 0.5334395171954984
Energy: 0.5543888846507306
Energy: 0.48864949888197456
Energy: 0.45395389355100957
Energy: 0.4679303349157046
Energy: 0.5493715198634689
Energy: 0.5078314729377144
Energy: 0.5667794160997146
Energy: 0.5156800154443618
Energy: 0.4574763739018432
Energy: 0.574001553344477
Energy: 0.5187711240851468
Energy: 0.5018180600685815
Energy: 0.5908737193409006
Energy: 0.5526378625468493
Energy: 0.46398023229647994
Energy: 0.4856231645614341
Energy: 0.5529417247370402
Energy: 0.5106649553624951
Energy: 0.5812696298816784
Energy: 0.5081820360220898
Energy: 0.5050998762319997
Energy: 0.5000368741257581
Energy: 0.4955849485401753
Energy: 0.5101018436590875
Energy: 0.5882243874737011
Energy: 0.5148847236985508
Energy: 0.4772948440943209
Energy: 0.47102659109862116
Energy: 0.5422251936766416
Energy: 0.504446107080655
Energy: 0.569253734190167
Energy: 0.5615780975049307
Energy: 0.504579804900515
Energy: 0.4679046837022962
Energy: 0.5231882478320714
Energy: 0.5346252028350627
Energy: 0.6322606638116024
Energy: 0.5034275387082858
Energy: 0.4929021561940183
Energy: 0.5187172259135864
Energy: 0.47797673777391375
Energy: 0.5158786295858597
Energy: 0.6584083371959818
Energy: 0.46827254483898173
Energy: 0.47172913459462507
Energy: 0.4797694112752638
Energy: 0.4929881999248082
Energy: 0.47121923407385646
Energy: 0.659304571996805
Energy: 0.48091787924493995
Energy: 0.4975622559277838
Energy: 0.5407565083249365
Energy: 0.5147205251586647
Energy: 0.46078838602707506
Energy: 0.68251367920276
Energy: 0.4802936076093859
Energy: 0.4915201870853815
Energy: 0.5034506932363002
Energy: 0.4939923055457186
Energy: 0.4686460995625424
Energy: 0.6196159742188542
Energy: 0.4754780027733587
Energy: 0.4693315527391149
Energy: 0.4976656607389929
Energy: 0.4661650701622566
Energy: 0.4851680726985158
Energy: 0.7930622257888611
Energy: 0.48399321129696726
Energy: 0.5000212223179442
Energy: 0.564922238049529
Energy: 0.48710941415805115
Energy: 0.5102855315862913
Energy: 0.5310919379561189
Energy: 0.50861946548462
Energy: 0.5311403798335014
Energy: 0.5091786807506402
Energy: 0.5517834721195998
Energy: 0.4814069179993733
Energy: 0.5363531855183009
Energy: 0.4977248582282642
Energy: 0.5022370504258106
Energy: 0.517918249497394
Energy: 0.5074070781588463
Energy: 0.4633129533389346
Energy: 0.872836183641889
Energy: 0.5145161168829672
Energy: 0.49751850187174
Energy: 0.5277246788975024
Energy: 0.5129348848187123
Energy: 0.5109300227908551
Energy: 0.8634814893965512
Energy: 0.49555456079824983
Energy: 0.5623828539628938
Energy: 0.5233888364361441
Energy: 0.553443689497038
Energy: 0.4912862033149968
Energy: 0.7779049497288018
Energy: 0.5096088104537626
Energy: 0.5327761377924037
Energy: 0.541606808812405
Energy: 0.5385511728128473
Energy: 0.4673681327141607

minimum gb energy = 0.45395389355100957 eV
minimum distance =  2.30652321781238 Angstroms
sigma value = 43


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

Energy: 0.8126790866587551
Energy: 0.5375488412662829
Energy: 0.5302189096864248
Energy: 0.544842455628946
Energy: 0.5434176107786892
Energy: 0.4305723455350732
Energy: 0.8002362668905308
Energy: 0.5319816146342402
Energy: 0.5115469248954875
Energy: 0.5323212546746265
Energy: 0.5517899333042922
Energy: 0.49710762317823076
Energy: 0.7985607178048553
Energy: 0.5291735611685577
Energy: 0.5634090373118485
Energy: 0.5256175919159789
Energy: 0.5316638291766607
Energy: 0.4938660967607514
Energy: 0.5838727469234543
Energy: 0.5742964640605924
Energy: 0.5258159129699828
Energy: 0.5196270721122801
Energy: 0.5379567115357214
Energy: 0.4820136311671549
Energy: 0.7478015487558637
Energy: 0.5233526670542403
Energy: 0.5308767025628923
Energy: 0.5301702900319588
Energy: 0.5477825237564845
Energy: 0.48159741351373947
Energy: 0.7988441001286165
Energy: 0.49568624309480896
Energy: 0.5598738882935923
Energy: 0.5449434726071475
Energy: 0.5158293828016703
Energy: 0.5018915281344302
Energy: 0.7507774663264081
Energy: 0.5017078114201496
Energy: 0.5152052737377696
Energy: 0.5359879114838424
Energy: 0.5171159313803368
Energy: 0.5081704438286718
Energy: 0.7496093832628117
Energy: 0.5065925266717346
Energy: 0.5048877948985458
Energy: 0.5205114409864606
Energy: 0.518098951230523
Energy: 0.4903924130194053
Energy: 0.7184484927608001
Energy: 0.4970196663985545
Energy: 0.46778611299116346
Energy: 0.5525059969084612
Energy: 0.47285085824976886
Energy: 0.4701102958544108
Energy: 0.7184548218422339
Energy: 0.4690170316325563
Energy: 0.4691266119913135
Energy: 0.5224789913863529
Energy: 0.4862341512410016
Energy: 0.49428500573439826
Energy: 0.6643750083453984
Energy: 0.4503677429289768
Energy: 0.47905422926354513
Energy: 0.5073967447093781
Energy: 0.4739565285611445
Energy: 0.47279457550896853
Energy: 0.5621521884636616
Energy: 0.5250996274245657
Energy: 0.489822690877735
Energy: 0.4596249517772937
Energy: 0.4657155282207745
Energy: 0.5150280811506355
Energy: 0.5899199017556591
Energy: 0.49138846800776004
Energy: 0.4770013902878059
Energy: 0.4599231009782251
Energy: 0.5061027236716562
Energy: 0.48037364391158294
Energy: 0.5980345354060891
Energy: 0.4790391478601737
Energy: 0.4924844345764467
Energy: 0.4821688429833756
Energy: 0.49121512543083456
Energy: 0.49120481905174557
Energy: 0.6193904717880165
Energy: 0.5392660257071745
Energy: 0.49392246531861295
Energy: 0.4864813755512583
Energy: 0.5495186500697337
Energy: 0.5287297938756379
Energy: 0.5704851971141898
Energy: 0.5856442333674424
Energy: 0.4829721156174892
Energy: 0.4268357130292355
Energy: 0.5006946940766068
Energy: 0.5435248116136647
Energy: 0.5514320676963838
Energy: 0.5289445869637992
Energy: 0.498541488857893
Energy: 0.4911297728860451
Energy: 0.5247826102046121
Energy: 0.5215962314814855
Energy: 0.5282107627566721
Energy: 0.536818689580467
Energy: 0.48128377647367887
Energy: 0.48189520041780537
Energy: 0.5240815102334632
Energy: 0.5349544260521578
Energy: 0.5436112335334377
Energy: 0.5259139116490621
Energy: 0.5131340259936615
Energy: 0.456234325137276
Energy: 0.5832165833991315
Energy: 0.5164556571445567
Energy: 0.5771818674919902
Energy: 0.5499338477322587
Energy: 0.523688851608158
Energy: 0.4490643719435412
Energy: 0.5755014054224342
Energy: 0.531087375540243
Energy: 0.618702055930846
Energy: 0.5138915063017577
Energy: 0.4951624098100141
Energy: 0.483759370983653
Energy: 0.5351903392017959
Energy: 0.532290207667237
Energy: 0.6027139859341566
Energy: 0.517616828474609
Energy: 0.49171902172626275
Energy: 0.4904200705876321
Energy: 0.49752817872518534
Energy: 0.5078437171263591
Energy: 0.5892485741908847
Energy: 0.49107742100378904
Energy: 0.47144564117464993
Energy: 0.5061014349674978
Energy: 0.46902976614283715
Energy: 0.48158244128125594
Energy: 0.695859970796045
Energy: 0.47377085130129665
Energy: 0.4971923445283309
Energy: 0.5065915863898408
Energy: 0.466322698194658
Energy: 0.5345086156227506
Energy: 0.6826738201827979
Energy: 0.46976567910248707
Energy: 0.49451134830949717
Energy: 0.48878037436428806
Energy: 0.46218078516853206
Energy: 0.46951981104701906
Energy: 0.7184996308570999
Energy: 0.4793775297995519
Energy: 0.47012313556737545
Energy: 0.5166638576504952
Energy: 0.45047051620461953
Energy: 0.5114008094013225
Energy: 0.7232564265892231
Energy: 0.49033093996150795
Energy: 0.5165352251849548
Energy: 0.4923596733791526
Energy: 0.5500483706028632
Energy: 0.49679389579153693
Energy: 0.5259751759087341
Energy: 0.5079943901506415
Energy: 0.49145915760511727
Energy: 0.5199887246679892
Energy: 0.502049790684917
Energy: 0.5320401279034677
Energy: 0.8002255374246864
Energy: 0.49057891705880796
Energy: 0.4802170553116244
Energy: 0.5286931664579121
Energy: 0.4974387172844339
Energy: 0.4911464839525298
Energy: 0.7996469927477005
Energy: 0.494240257890053
Energy: 0.5482823360605277
Energy: 0.5477052062665457
Energy: 0.5378870616331451
Energy: 0.4980147864243929
Energy: 0.805328100095175
Energy: 0.5524405447370123
Energy: 0.5301431907367263
Energy: 0.5454506430254439
Energy: 0.5546888086464182
Energy: 0.4822781227997086

minimum gb energy = 0.4268357130292355 eV
minimum distance =  2.29193360202845 Angstroms
sigma value = 57


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

Energy: 0.766740939349454
Energy: 0.6699688201956563
Energy: 0.5440808688587235
Energy: 0.5803812606013902
Energy: 0.6554887941207668
Energy: 0.5260540795768932
Energy: 0.7061484260233077
Energy: 0.5072914694610828
Energy: 0.5425775067090147
Energy: 0.5318360123114455
Energy: 0.554603357014791
Energy: 0.46801606279583935
Energy: 0.7091579202343032
Energy: 0.5132178196270716
Energy: 0.4764574716660462
Energy: 0.5513567036052325
Energy: 0.47598291656295294
Energy: 0.4714208695399956
Energy: 0.6611000723524595
Energy: 0.5489946822174504
Energy: 0.5392612312455501
Energy: 0.5317581867348263
Energy: 0.5050595313982635
Energy: 0.482874224245621
Energy: 0.7544373770475776
Energy: 0.5075977895568021
Energy: 0.5387084434683173
Energy: 0.5532410725845548
Energy: 0.5037823567884756
Energy: 0.4919254094714132
Energy: 0.7092630754521573
Energy: 0.4653421430490206
Energy: 0.4698245223864026
Energy: 0.5520907806152568
Energy: 0.5135233478120025
Energy: 0.4678703248712633
Energy: 0.7058119043448068
Energy: 0.4729877943195208
Energy: 0.5146381394231528
Energy: 0.5162279309530897
Energy: 0.5073965840029883
Energy: 0.4821639686509614
Energy: 0.6513441296666383
Energy: 0.5054635767153729
Energy: 0.5041236609763361
Energy: 0.5015365428999679
Energy: 0.5013561299345394
Energy: 0.493293776061416
Energy: 0.6421670920999685
Energy: 0.5023827983920588
Energy: 0.4554426743655132
Energy: 0.5203396385279815
Energy: 0.5053057731404641
Energy: 0.507180064203697
Energy: 0.640815104099445
Energy: 0.49388607783280386
Energy: 0.4736117051029089
Energy: 0.5090390342759313
Energy: 0.4786048405959066
Energy: 0.5156189189152584
Energy: 0.6607973349634144
Energy: 0.4697535836836186
Energy: 0.4683578924533936
Energy: 0.4583039294795716
Energy: 0.469883877160642
Energy: 0.4706043980416109
Energy: 0.5688229964797223
Energy: 0.5506277929891739
Energy: 0.5084765056028825
Energy: 0.5054193265103402
Energy: 0.5064206721228715
Energy: 0.5500642828580863
Energy: 0.5571240019654808
Energy: 0.537835968994493
Energy: 0.5096745386516895
Energy: 0.4578268367884261
Energy: 0.5028283740061921
Energy: 0.5412790573012441
Energy: 0.5448398468645125
Energy: 0.4771554702354095
Energy: 0.4672692185520806
Energy: 0.48217145172759446
Energy: 0.5184852441973067
Energy: 0.4761622389713765
Energy: 0.5598457838333009
Energy: 0.5071965173757326
Energy: 0.5067418441803696
Energy: 0.4818706983103969
Energy: 0.5087423695911115
Energy: 0.5316005172880934
Energy: 0.5541456710533254
Energy: 0.5032203954938672
Energy: 0.4663558287136255
Energy: 0.5921307837633686
Energy: 0.5560376664711646
Energy: 0.5464474119648111
Energy: 0.5642813534535612
Energy: 0.5414218753940611
Energy: 0.5072089087439631
Energy: 0.48109333259262443
Energy: 0.5087902643569675
Energy: 0.5425893664925655
Energy: 0.5836191250365492
Energy: 0.476432543137315
Energy: 0.46743285210499336
Energy: 0.45901272159242595
Energy: 0.46598065827589363
Energy: 0.4882114585307064
Energy: 0.639144822415068
Energy: 0.4971853996358367
Energy: 0.4732252905985342
Energy: 0.4844247560415029
Energy: 0.5159915451942663
Energy: 0.5181594701891522
Energy: 0.6413980623823793
Energy: 0.5015695970906084
Energy: 0.4849341138923169
Energy: 0.4857909247454473
Energy: 0.5075557779812742
Energy: 0.5048390212346903
Energy: 0.7649459401240206
Energy: 0.5072228622442418
Energy: 0.506629574796652
Energy: 0.5501010451114547
Energy: 0.5063986691011254
Energy: 0.4576866994762954
Energy: 0.7051886919959961
Energy: 0.47307426759660826
Energy: 0.4757276368899811
Energy: 0.5169250922947831
Energy: 0.47587784005526607
Energy: 0.48562755673976804
Energy: 0.7078915931058981
Energy: 0.47162998280193674
Energy: 0.4682428926999957
Energy: 0.6003363196769532
Energy: 0.46718873202820926
Energy: 0.4681333490870647
Energy: 0.7455685857095582
Energy: 0.5108837653696465
Energy: 0.5487060073629387
Energy: 0.5493602099856376
Energy: 0.5050747512880915
Energy: 0.4599606583940505

minimum gb energy = 0.4554426743655132 eV
minimum distance =  2.28254098914472 Angstroms
sigma value = 17


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

Energy: 0.9677705997380628
Energy: 0.602006907444009
Energy: 0.6024333732077473
Energy: 0.5609830298837842
Energy: 0.6034025524747059
Energy: 0.46020556541819757
Energy: 0.5957165309216502
Energy: 0.4611452348629885
Energy: 0.5129238396848594
Energy: 0.5456941837740954
Energy: 0.466483178483938
Energy: 0.4494254843914184
Energy: 0.5902565850736392
Energy: 0.4625701918389559
Energy: 0.45671071846875905
Energy: 0.5659870409066349
Energy: 0.4579824401706419
Energy: 0.4602000602543098
Energy: 0.6253490483051237
Energy: 0.5264198255946168
Energy: 0.5073355881942103
Energy: 0.5456823654357944
Energy: 0.45106853891682697
Energy: 0.5229537488459761
Energy: 0.6053522683830835
Energy: 0.46179836580375744
Energy: 0.5078833717588833
Energy: 0.5466883634763422
Energy: 0.5069550391368534
Energy: 0.4620680582845366
Energy: 0.6107319690953036
Energy: 0.46025952170975615
Energy: 0.45385645701203703
Energy: 0.5468139220225889
Energy: 0.4551381461783269
Energy: 0.4994366028331684
Energy: 0.5965085234874276
Energy: 0.4500040361124686
Energy: 0.45049315899839937
Energy: 0.510201923359897
Energy: 0.4504674274078418
Energy: 0.4603172010801369
Energy: 0.6088132269984817
Energy: 0.4566041521018406
Energy: 0.4497597842100944
Energy: 0.5048483988764525
Energy: 0.4641408188797699
Energy: 0.4533758960603489
Energy: 0.5866642165135149
Energy: 0.5085115430945675
Energy: 0.4508480106304558
Energy: 0.44639304886674724
Energy: 0.5110523249850981
Energy: 0.5271585280594793
Energy: 0.5876091386703846
Energy: 0.5110965256447398
Energy: 0.4628235135286411
Energy: 0.44592638646931876
Energy: 0.47762295214544026
Energy: 0.5104606039961453
Energy: 0.5563017001872103
Energy: 0.45767712980094843
Energy: 0.46071083419062187
Energy: 0.44989444290618513
Energy: 0.4617385657558283
Energy: 0.49852838069532524
Energy: 0.5879687589128895
Energy: 0.5083674299690922
Energy: 0.4616013236424976
Energy: 0.4490667085391208
Energy: 0.4617967779681321
Energy: 0.5468652225316537
Energy: 0.5660418632860786
Energy: 0.507870967109627
Energy: 0.5263992493889932
Energy: 0.5127930226270301
Energy: 0.510010049562234
Energy: 0.5092045364938428
Energy: 0.5296693307862884
Energy: 0.45798845068475663
Energy: 0.4620682614553396
Energy: 0.49930273134897624
Energy: 0.46250510526747035
Energy: 0.4507454869008638
Energy: 0.5789706877651108
Energy: 0.46111479780996306
Energy: 0.4510737765228917
Energy: 0.5133620017600882
Energy: 0.4517663013192313
Energy: 0.4508712750640324
Energy: 0.627497761627207
Energy: 0.4651956549484485
Energy: 0.45343243152526114
Energy: 0.514798204508264
Energy: 0.4550907925952481
Energy: 0.4490728156135233
Energy: 0.5830053005107058
Energy: 0.4799849235841319
Energy: 0.5093220072116029
Energy: 0.5513794156831828
Energy: 0.5134323058130393
Energy: 0.44860635877589444

minimum gb energy = 0.44592638646931876 eV
minimum distance =  2.30157283877836 Angstroms
sigma value = 17


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

Energy: 0.738836488490474
Energy: 0.5238362568369453
Energy: 0.6756778370166616
Energy: 0.5673823141846266
Energy: 0.6402568027228025
Energy: 0.5159760183734962
Energy: 0.6480442616889865
Energy: 0.49593482368658065
Energy: 0.5327591452706381
Energy: 0.568264270185096
Energy: 0.5047830453195304
Energy: 0.5047971374628714
Energy: 0.6565966111662761
Energy: 0.47232643291156046
Energy: 0.4932147788200984
Energy: 0.5474224692760192
Energy: 0.4832710768687438
Energy: 0.46988223102765064
Energy: 0.6657476541023832
Energy: 0.4927651691058995
Energy: 0.48174760187026144
Energy: 0.5638752552645296
Energy: 0.47892407539082654
Energy: 0.5061516184365867
Energy: 0.6429452920657922
Energy: 0.47206147806780857
Energy: 0.47036237966593464
Energy: 0.5031748962324173
Energy: 0.49771905241403613
Energy: 0.4686753672159065
Energy: 0.6349551870712407
Energy: 0.496233931203985
Energy: 0.4739712228510602
Energy: 0.537452329000312
Energy: 0.4843950452051687
Energy: 0.5136914224991277
Energy: 0.6250690012149328
Energy: 0.47474003881706983
Energy: 0.4713476334112698
Energy: 0.502169217760197
Energy: 0.46810295806295804
Energy: 0.4949779211335186
Energy: 0.5935416346050281
Energy: 0.5108629920834897
Energy: 0.49771518405667853
Energy: 0.5349861300687522
Energy: 0.49901766790273144
Energy: 0.5033322216301966
Energy: 0.6005117511651931
Energy: 0.5693924272722982
Energy: 0.5216957894918257
Energy: 0.5225553329072047
Energy: 0.5627707101436593
Energy: 0.5693593719037852
Energy: 0.6462813017346904
Energy: 0.5646899983421849
Energy: 0.50947304725397
Energy: 0.48399863396806553
Energy: 0.5052667387109099
Energy: 0.5455118138349859
Energy: 0.6359420546061312
Energy: 0.5012691074937443
Energy: 0.48367193661943086
Energy: 0.5224615819608449
Energy: 0.49252452722268514
Energy: 0.5313466563857324
Energy: 0.6406620633665804
Energy: 0.48690419432205323
Energy: 0.4716916963384639
Energy: 0.4753550475621696
Energy: 0.4817504749879002
Energy: 0.5352765261029981
Energy: 0.6483104821763219
Energy: 0.47780034513198394
Energy: 0.5049500120351696
Energy: 0.47652401684701223
Energy: 0.49949934531437723
Energy: 0.47750391217686555
Energy: 0.6485138096023381
Energy: 0.5169395562937746
Energy: 0.5605565941526509
Energy: 0.5492267365507735
Energy: 0.5628981547216121
Energy: 0.49016772408555137
Energy: 0.6633854516548641
Energy: 0.4719750270755923
Energy: 0.5180635767737024
Energy: 0.5411349073891527
Energy: 0.4899977872465742
Energy: 0.4784779931666347
Energy: 0.6041319824472852
Energy: 0.46637885075299457
Energy: 0.4576336172576988
Energy: 0.45858693995748245
Energy: 0.45903946352338004
Energy: 0.46761806170365644
Energy: 0.6375446413557402
Energy: 0.4838273607975662
Energy: 0.5069290226922886
Energy: 0.5393646962902124
Energy: 0.48042999334366715
Energy: 0.4724926351222058
Energy: 0.6466665833203342
Energy: 0.47819657932838866
Energy: 0.49916045650217133
Energy: 0.5250307954172766
Energy: 0.4779528035787236
Energy: 0.4590466440459026
Energy: 0.5985604997188598
Energy: 0.4773958716717391
Energy: 0.4747550594934465
Energy: 0.531589348666614
Energy: 0.4797216555615072
Energy: 0.4901113380141449
Energy: 0.65519024407084
Energy: 0.4942080086509528
Energy: 0.48144412891102417
Energy: 0.5090162891651443
Energy: 0.47403089266619625
Energy: 0.5053234528309121
Energy: 0.6432223355709948
Energy: 0.5225692263997785
Energy: 0.5065344819532223
Energy: 0.530221041052993
Energy: 0.5046519371645221
Energy: 0.5198621664409133
Energy: 0.6221201890987965
Energy: 0.5556049514441171
Energy: 0.5472812098790358
Energy: 0.5283092875813987
Energy: 0.5819374299205033
Energy: 0.5616471299222531
Energy: 0.5952011098207695
Energy: 0.5679823625474181
Energy: 0.5342801191135628
Energy: 0.46473762167450594
Energy: 0.5013334590914809
Energy: 0.5704331704242509
Energy: 0.6037941872464286
Energy: 0.5071922392243524
Energy: 0.4711806105539551
Energy: 0.47231586797675806
Energy: 0.4939594869169677
Energy: 0.5089589460142557
Energy: 0.6279310309750203
Energy: 0.4759640153474988
Energy: 0.466740353638538
Energy: 0.4687220258089768
Energy: 0.4735694685810289
Energy: 0.5004118305839087
Energy: 0.6321515181289353
Energy: 0.4945413625546696
Energy: 0.5037669330001028
Energy: 0.551744038065202
Energy: 0.49370018892598627
Energy: 0.49508587517178726
Energy: 0.6241908825624202
Energy: 0.47720641143220205
Energy: 0.4959097440401303
Energy: 0.5617910873354877
Energy: 0.49099737678700844
Energy: 0.47229569021295964
Energy: 0.57495886987982
Energy: 0.4777505105324026
Energy: 0.48106847545986486
Energy: 0.5607260015217661
Energy: 0.4814526658700831
Energy: 0.4708879417080046
Energy: 0.661076803360309
Energy: 0.4956478701366501
Energy: 0.5083227741535282
Energy: 0.5814539658491963
Energy: 0.5046110726908493
Energy: 0.49319929082280417
Energy: 0.6719825351902903
Energy: 0.5169376334566033
Energy: 0.5698180983191816
Energy: 0.5693385927265272
Energy: 0.5489731694477815
Energy: 0.47431023830524444
Energy: 0.6477191891389272
Energy: 0.6093933293312719
Energy: 0.5656391462476056
Energy: 0.565899938734481
Energy: 0.5564723324178363
Energy: 0.5226697330240203
Energy: 0.6637045706360775
Energy: 0.5078194328466166
Energy: 0.5045475766222851
Energy: 0.5944775248075282
Energy: 0.5295804221904489
Energy: 0.5079512997311423
Energy: 0.5705034104754
Energy: 0.47735159456523396
Energy: 0.5032918389016474
Energy: 0.5459510131834808
Energy: 0.48863175000536274
Energy: 0.5018541021906026
Energy: 0.6131471293046775
Energy: 0.47526687108617977
Energy: 0.4779073121939969
Energy: 0.5584452504880755
Energy: 0.4829057274683901
Energy: 0.4939322088712725
Energy: 0.6274811706354507
Energy: 0.5006290532516974
Energy: 0.46607814621970106
Energy: 0.5294321975962922
Energy: 0.5045502164084616
Energy: 0.4788396042362736
Energy: 0.6085993122474836
Energy: 0.5220864334456248
Energy: 0.4735262320717686
Energy: 0.4583284273932273
Energy: 0.5483748194893017
Energy: 0.5299560604793603
Energy: 0.6106700387104499
Energy: 0.4592139350152044
Energy: 0.4662096786481781
Energy: 0.4838801680155432
Energy: 0.4650232364350914
Energy: 0.4593922610084283
Energy: 0.608038936656854
Energy: 0.49308213634911824
Energy: 0.4798011074659897
Energy: 0.5175075321860872
Energy: 0.46483484796954777
Energy: 0.5160396943077975
Energy: 0.6143327047576252
Energy: 0.525773157714301
Energy: 0.48037971093478316
Energy: 0.5240715203557335
Energy: 0.4926457176363485
Energy: 0.5218951656853794
Energy: 0.6400561140374358
Energy: 0.47953611641327615
Energy: 0.47752993980420816
Energy: 0.5630660152558778
Energy: 0.48375990552537546
Energy: 0.5533556807807024
Energy: 0.5720468332057917
Energy: 0.46916987694750956
Energy: 0.5204221627166394
Energy: 0.5616550728003864
Energy: 0.47344677593418827
Energy: 0.4733774931482179
Energy: 0.7364054672022183
Energy: 0.4805648863730886
Energy: 0.5073877440636271
Energy: 0.5470630349237425
Energy: 0.5055294232347926
Energy: 0.47444645547320385
Energy: 0.6847167146835303
Energy: 0.5046614110565477
Energy: 0.5995651694529227
Energy: 0.5680070987940464
Energy: 0.589879217629567
Energy: 0.48566063254859065

minimum gb energy = 0.4576336172576988 eV
minimum distance =  2.27728952780456 Angstroms
sigma value = 57


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

Energy: 0.9185559479666622
Energy: 0.6288542139565085
Energy: 0.6328352594984347
Energy: 0.618017628257969
Energy: 0.6360307519018791
Energy: 0.5684828882284166
Energy: 0.6008146538143492
Energy: 0.48968229351332476
Energy: 0.5268413775259598
Energy: 0.5366473793922004
Energy: 0.5000948843868724
Energy: 0.4749420112499021
Energy: 0.7063799332960647
Energy: 0.4616214030977311
Energy: 0.4935458937284029
Energy: 0.5779569160710688
Energy: 0.49370303744566496
Energy: 0.4528019405451747
Energy: 0.6022927918007367
Energy: 0.47696351547046373
Energy: 0.5203560961124329
Energy: 0.5535837467493302
Energy: 0.504008474187814
Energy: 0.5570896134288457
Energy: 0.5866461346648386
Energy: 0.4616688782529329
Energy: 0.49699495864342974
Energy: 0.4903785257769369
Energy: 0.4961043319368614
Energy: 0.4594341716954974
Energy: 0.6395300274880651
Energy: 0.5072939111450964
Energy: 0.4612879865047431
Energy: 0.45167856611641544
Energy: 0.4775643258292593
Energy: 0.5066075712609419
Energy: 0.6095494850439902
Energy: 0.48499061454955034
Energy: 0.4614269560262196
Energy: 0.5115217673152173
Energy: 0.45711066258565636
Energy: 0.5138851813787786
Energy: 0.5988863643768865
Energy: 0.5038967714478626
Energy: 0.4837329844896033
Energy: 0.5510266107768818
Energy: 0.4905075213361959
Energy: 0.48974939348963603
Energy: 0.6026085872117389
Energy: 0.5644047824211126
Energy: 0.5137692728275473
Energy: 0.5380248421430133
Energy: 0.5670664309080033
Energy: 0.5555857201471283
Energy: 0.5928249676505156
Energy: 0.5316889891372983
Energy: 0.4916839762523355
Energy: 0.4905395049518247
Energy: 0.49530923247096736
Energy: 0.5298988486716505
Energy: 0.6074324063588044
Energy: 0.5058922942803784
Energy: 0.4728235998657224
Energy: 0.5595198187818194
Energy: 0.4822411402799875
Energy: 0.5128520825390831
Energy: 0.6268413035466058
Energy: 0.47375603396032445
Energy: 0.5202881165161778
Energy: 0.5601405352709665
Energy: 0.4800366796365098
Energy: 0.5121599692088348
Energy: 0.6283971955421527
Energy: 0.49497451658277275
Energy: 0.5171009372861006
Energy: 0.527991531525153
Energy: 0.5205796249169562
Energy: 0.47569077012801625
Energy: 0.5624482279956085
Energy: 0.5295893135011674
Energy: 0.5644656415233791
Energy: 0.5574656024171316
Energy: 0.5612114666829118
Energy: 0.5611201998384137
Energy: 0.6737943824039624
Energy: 0.4875121831245448
Energy: 0.5318958021369243
Energy: 0.5602062108927774
Energy: 0.49980075873113033
Energy: 0.4936615985069723
Energy: 0.7282484255443821
Energy: 0.46122003115277255
Energy: 0.4895392120278328
Energy: 0.5299176942071319
Energy: 0.4906997516331632
Energy: 0.45470014630613775
Energy: 0.6059436712979099
Energy: 0.5222230400417907
Energy: 0.5417348850881099
Energy: 0.5528941231212678
Energy: 0.4704108653812388
Energy: 0.4714105704334674
Energy: 0.6935464113335414
Energy: 0.47456009849576003
Energy: 0.49764388088953776
Energy: 0.5458941227494751
Energy: 0.4945266336670231
Energy: 0.45965308240673053
Energy: 0.6288355947057288
Energy: 0.4968854777811925
Energy: 0.4766421207150358
Energy: 0.613638814396531
Energy: 0.4974336518031017
Energy: 0.5509964586358613
Energy: 0.6344819453951137
Energy: 0.48240043420449347
Energy: 0.46392371925628406
Energy: 0.5113994933482613
Energy: 0.457314984226247
Energy: 0.5392965803402837
Energy: 0.6042792226558735
Energy: 0.4948426474310205
Energy: 0.4709407963146139
Energy: 0.5551084782025615
Energy: 0.4885178044305522
Energy: 0.49358729028554166
Energy: 0.6043498434375054
Energy: 0.5634343755531526
Energy: 0.5121176624944419
Energy: 0.4907458072605694
Energy: 0.5392529420783263
Energy: 0.5542011336999231
Energy: 0.594936692861885
Energy: 0.531095960992589
Energy: 0.49740671726487584
Energy: 0.49070852827462785
Energy: 0.49351290031132333
Energy: 0.5316596819411114
Energy: 0.6053552835304502
Energy: 0.508086848463607
Energy: 0.4714843579574836
Energy: 0.5607024613271215
Energy: 0.5041200823727969
Energy: 0.5128895086635158
Energy: 0.6253985118767973
Energy: 0.48027639584513254
Energy: 0.5095778015950472
Energy: 0.5627524234073604
Energy: 0.479466841485711
Energy: 0.5114683614919961
Energy: 0.626628266638129
Energy: 0.4942744760845634
Energy: 0.5161836112290112
Energy: 0.5242380817356042
Energy: 0.5207375408254062
Energy: 0.47557211515766457
Energy: 0.5749820841958939
Energy: 0.5336330525445948
Energy: 0.5617790413040564
Energy: 0.5651512770388409
Energy: 0.5333068247807009
Energy: 0.5634626079273081

minimum gb energy = 0.45167856611641544 eV
minimum distance =  2.27596854981825 Angstroms
sigma value = 43


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

Energy: 0.5300732848574777
Energy: 0.5257348742799852
Energy: 0.6173092654082614
Energy: 0.5984861300153117
Energy: 0.5291555235817278
Energy: 0.5008102509328498
Energy: 0.6546509695201026
Energy: 0.5148973090016843
Energy: 0.5491478076056566
Energy: 0.5430979502122841
Energy: 0.5134430728370059
Energy: 0.5183498209367584
Energy: 0.6928042021275028
Energy: 0.5033212752723408
Energy: 0.49150016931612894
Energy: 0.5196324243691963
Energy: 0.4947100054963051
Energy: 0.49724695743061015
Energy: 0.600397124093894
Energy: 0.5198033784100273
Energy: 0.5104403252542019
Energy: 0.5567090503162339
Energy: 0.5183152314578428
Energy: 0.5380219068720897
Energy: 0.6245280337072323
Energy: 0.5098386589024794
Energy: 0.5157563799925696
Energy: 0.5010658902529094
Energy: 0.5056446955467413
Energy: 0.4993672936916751
Energy: 0.6005359564555206
Energy: 0.5319496269773105
Energy: 0.5296964597133105
Energy: 0.5033704268677186
Energy: 0.5458877681780028
Energy: 0.5377913619622514
Energy: 0.6035696678447775
Energy: 0.46945116945978815
Energy: 0.49569511397408833
Energy: 0.5509179247519153
Energy: 0.4920496149781972
Energy: 0.5052111226420487
Energy: 0.6034521709063542
Energy: 0.4842322789393329
Energy: 0.49474952148672163
Energy: 0.5939770145355058
Energy: 0.49084383055878206
Energy: 0.5049366369098304
Energy: 0.6048238193724639
Energy: 0.5315768084425977
Energy: 0.5462906193300632
Energy: 0.5175296934693188
Energy: 0.5072054813170868
Energy: 0.5267518059148336
Energy: 0.6392705660938611
Energy: 0.5210005446407466
Energy: 0.504454268775072
Energy: 0.5901879917003487
Energy: 0.5088635697152252
Energy: 0.5334673534767285
Energy: 0.5848263302111206
Energy: 0.5355321006624094
Energy: 0.5592502439815994
Energy: 0.5551897838631009
Energy: 0.5162884435666305
Energy: 0.49294798440897447
Energy: 0.6458461072266021
Energy: 0.4947658687112651
Energy: 0.5005536951776297
Energy: 0.5072605399117438
Energy: 0.49169202019205294
Energy: 0.4998149004376819
Energy: 0.6480468622907897
Energy: 0.49290867499750074
Energy: 0.5148954350456432
Energy: 0.5586108517129176
Energy: 0.5302328352393658
Energy: 0.5157287806225244
Energy: 0.616736960505578
Energy: 0.5466828026704598
Energy: 0.5657095099873138
Energy: 0.5528149125824422
Energy: 0.525035767897135
Energy: 0.5394632343318869
Energy: 0.6128691751324377
Energy: 0.507187557288742
Energy: 0.5512287775954234
Energy: 0.5470736533616145
Energy: 0.5238968113919694
Energy: 0.5028987045046546
Energy: 0.638936232150155
Energy: 0.4925773257034476
Energy: 0.5096077635990602
Energy: 0.5391117111314561
Energy: 0.5069760953860635
Energy: 0.503646287837813
Energy: 0.6096532586907676
Energy: 0.5013357288545901
Energy: 0.49272956202594204
Energy: 0.56955399821836
Energy: 0.5065377672515833
Energy: 0.5176965760355459
Energy: 0.6024583064396193
Energy: 0.5228959909258735
Energy: 0.5291131509919964
Energy: 0.5788368447689883
Energy: 0.5245446073763261
Energy: 0.5466063451915407
Energy: 0.6296387333506499
Energy: 0.5284880596936253
Energy: 0.5321226287030824
Energy: 0.5822164570578467
Energy: 0.5278118099995756
Energy: 0.6137655746732429
Energy: 0.6056321500277162
Energy: 0.513456338454302
Energy: 0.5060259669529121
Energy: 0.6205521045217752
Energy: 0.514336475400446
Energy: 0.5490219821913502
Energy: 0.6005732641411926
Energy: 0.48811301297071225
Energy: 0.4988668107049035
Energy: 0.5927890577032565
Energy: 0.5125820077069544
Energy: 0.49278358899508523
Energy: 0.5605763620753029
Energy: 0.5095870066105591
Energy: 0.5237293217569506
Energy: 0.5203929890879571
Energy: 0.5125273935482203
Energy: 0.5483202040209139
Energy: 0.590526259545923
Energy: 0.5145067937357063
Energy: 0.49904233021349614
Energy: 0.498625023746283
Energy: 0.5273512242925356
Energy: 0.5021038871440328
Energy: 0.6174014060091761
Energy: 0.5446001835893755
Energy: 0.5376518923445334
Energy: 0.5316289792277198
Energy: 0.5322514347324173
Energy: 0.5218898043926747
Energy: 0.6454359342096284
Energy: 0.4960187595332201
Energy: 0.46983999685638744
Energy: 0.5186517476242312
Energy: 0.4696118497151863
Energy: 0.4934136307414705
Energy: 0.6406931502029554
Energy: 0.49498792503202754
Energy: 0.4874969127255234
Energy: 0.5249931365277026
Energy: 0.47432995338636463
Energy: 0.4941786203614986
Energy: 0.5468028553037162
Energy: 0.5056848745316245
Energy: 0.5163131583821865
Energy: 0.5277146948695796
Energy: 0.5322192403562809
Energy: 0.5130119526882994
Energy: 0.6076163704596484
Energy: 0.5041867203423811
Energy: 0.5195024018052822
Energy: 0.5195587623464568
Energy: 0.5214689135536029
Energy: 0.503533133110501
Energy: 0.6215556770037025
Energy: 0.5185047306783084
Energy: 0.5203302496877931
Energy: 0.5125180064817577
Energy: 0.5206845869841361
Energy: 0.5116804426401752
Energy: 0.6000378136575532
Energy: 0.5015370695155947
Energy: 0.495873348540223
Energy: 0.5001204927759286
Energy: 0.5040642005120162
Energy: 0.5119751034679428
Energy: 0.6244237975120844
Energy: 0.519200479129427
Energy: 0.4927898155952112
Energy: 0.5697792431583507
Energy: 0.5155629744771216
Energy: 0.5475318085307816
Energy: 0.5985149392899257
Energy: 0.5656203689186938
Energy: 0.5387792731895301
Energy: 0.5159932907236578
Energy: 0.5319206519721845
Energy: 0.5640924775737634
Energy: 0.6465016604362616
Energy: 0.5248148103951179
Energy: 0.5122045837137449
Energy: 0.5033764494199041
Energy: 0.5241503733434968
Energy: 0.5504868386347426
Energy: 0.5804069821474124
Energy: 0.5071435721690258
Energy: 0.49027408943667483
Energy: 0.5439656251979075
Energy: 0.5091907648696136
Energy: 0.5303902995500764
Energy: 0.6407169527869164
Energy: 0.4970786867234107
Energy: 0.5052504191009793
Energy: 0.5009025806710303
Energy: 0.5096397051016041
Energy: 0.4952748899488694
Energy: 0.6358945185093948
Energy: 0.5246941451150039
Energy: 0.5509290746528109
Energy: 0.5347594184767944
Energy: 0.5217658632910356
Energy: 0.5133457904058019

minimum gb energy = 0.46945116945978815 eV
minimum distance =  2.27850896900671 Angstroms
sigma value = 81


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

Energy: 0.6928370470674947
Energy: 0.5117538156573808
Energy: 0.44669694721921843
Energy: 0.44726455140993293
Energy: 0.5161091304243297
Energy: 0.43688180886445716
Energy: 0.5507706460129371
Energy: 0.4939833781534181
Energy: 0.4658572338241495
Energy: 0.44492842064649063
Energy: 0.4480603465153873
Energy: 0.4827218644487664
Energy: 0.5997032455331277
Energy: 0.5006924050893018
Energy: 0.4490700856030653
Energy: 0.44207278511215203
Energy: 0.4469493347248818
Energy: 0.5090967310340024
Energy: 0.5295154972610417
Energy: 0.49498260489681145
Energy: 0.44792329793394414
Energy: 0.44909234841378176
Energy: 0.500953060085843
Energy: 0.45114625615500015
Energy: 0.5236007757973572
Energy: 0.483220874863126
Energy: 0.48674539007596535
Energy: 0.4386162079365987
Energy: 0.4860883843457672
Energy: 0.49360509695074534
Energy: 0.5508317159265134
Energy: 0.4920412846247814
Energy: 0.43672437453662594
Energy: 0.43459487729364554
Energy: 0.4819647020967772
Energy: 0.4469529564669709
Energy: 0.5489117129531035
Energy: 0.4666139409785324
Energy: 0.48865926122777964
Energy: 0.48759590220719506
Energy: 0.4967162808335715
Energy: 0.44871717283967827
Energy: 0.5486243736346003
Energy: 0.4489037155148904
Energy: 0.506062776201798
Energy: 0.4837869304837101
Energy: 0.4937386976522286
Energy: 0.44911289923546066
Energy: 0.5100134599764735
Energy: 0.4461334764396163
Energy: 0.4511124447981065
Energy: 0.4698908079939091
Energy: 0.5089380379666536
Energy: 0.44549787791612394
Energy: 0.5276183095452144
Energy: 0.4874015828391276
Energy: 0.48342156162784444
Energy: 0.4929859632326788
Energy: 0.4827468218205263
Energy: 0.4945749101330652

minimum gb energy = 0.43459487729364554 eV
minimum distance =  2.31231149985942 Angstroms
sigma value = 3


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

Energy: 0.7382246847836503
Energy: 0.6408089262340654
Energy: 0.5073849725463321
Energy: 0.5023943490356504
Energy: 0.5328851902899332
Energy: 0.5980063343083303
Energy: 0.6485846068350583
Energy: 0.5367908532033079
Energy: 0.5986488610252394
Energy: 0.5663102318094051
Energy: 0.5763183729486279
Energy: 0.5295475641406435
Energy: 0.5387367340424412
Energy: 0.5624046887278166
Energy: 0.5411459747354542
Energy: 0.5572554290061478
Energy: 0.5364612386262254
Energy: 0.5385770795893472
Energy: 0.49668111654763736
Energy: 0.5373772184603223
Energy: 0.5288834531198092
Energy: 0.5191488528713918
Energy: 0.5370481768723157
Energy: 0.5635850733249033
Energy: 0.4943753506701027
Energy: 0.5924926892695364
Energy: 0.5791774712987036
Energy: 0.5594161420367044
Energy: 0.6073239721530688
Energy: 0.557071498209822
Energy: 0.5253684361614769
Energy: 0.5658678505352288
Energy: 0.5980146366902049
Energy: 0.5042545248032465
Energy: 0.6405447076772152
Energy: 0.557689539395656
Energy: 0.5391318185573267
Energy: 0.5964375898910921
Energy: 0.586867580695054
Energy: 0.6086161336634469
Energy: 0.5844739380294408
Energy: 0.5783548983651646
Energy: 0.5590503130051118
Energy: 0.5699713190653494
Energy: 0.5398986267932282
Energy: 0.5238258277155635
Energy: 0.5251725121181842
Energy: 0.5307929948005954
Energy: 0.5169875512581071
Energy: 0.5394271383935675
Energy: 0.5446831666727812
Energy: 0.5487948586326731
Energy: 0.5356200153061844
Energy: 0.5569777300234492
Energy: 0.6181503193464809
Energy: 0.5852431278579898
Energy: 0.5288332255841183
Energy: 0.5004917799017637
Energy: 0.5547787174254704
Energy: 0.6183250116964806
Energy: 0.6437766105404241
Energy: 0.644527483305211
Energy: 0.5571918926291475
Energy: 0.52025865147431
Energy: 0.5113010263815237
Energy: 0.5630438060186229
Energy: 0.6095677845320767
Energy: 0.614524990095305
Energy: 0.5968490647929248
Energy: 0.5703997725879973
Energy: 0.6487458014743815
Energy: 0.5064547785550574
Energy: 0.5473543098639962
Energy: 0.5291392144840822
Energy: 0.5389098118874364
Energy: 0.4735197564257253
Energy: 0.5050999762486701
Energy: 0.5300364025317227
Energy: 0.6221049773408711
Energy: 0.5382919477393139
Energy: 0.5552968718434419
Energy: 0.5596151825898018
Energy: 0.5399957499148453
Energy: 0.5490139741066505
Energy: 0.5387263910204689
Energy: 0.5494857287155313
Energy: 0.5302083180738806
Energy: 0.5333796169580031
Energy: 0.5232930791962428
Energy: 0.5370740840066696
Energy: 0.6182652525565241
Energy: 0.5711986970703016
Energy: 0.6177503992859505
Energy: 0.5801767906542594
Energy: 0.6151026000116363
Energy: 0.5329721513221124
Energy: 0.7086757256428136
Energy: 0.6284082730566549
Energy: 0.5692430748226396
Energy: 0.5291599366793438
Energy: 0.5683104182250175
Energy: 0.5253804692500318
Energy: 0.5480744629782021
Energy: 0.6225796294041255
Energy: 0.5909599668500304
Energy: 0.514377023591549
Energy: 0.5463408709203685
Energy: 0.5887860702618
Energy: 0.6290737555196392
Energy: 0.547978199333116
Energy: 0.5479003437907355
Energy: 0.5584790771501439
Energy: 0.5392219979548538
Energy: 0.5419983571414623
Energy: 0.4964688794237807
Energy: 0.5476849969178091
Energy: 0.561468758315791
Energy: 0.5488433371697711
Energy: 0.569675194295742
Energy: 0.5722925602133135
Energy: 0.4933782285829285
Energy: 0.6065183281971356
Energy: 0.5449809996067158
Energy: 0.5374408481765848
Energy: 0.5396134842703966
Energy: 0.5916837695496088
Energy: 0.5521117842371024
Energy: 0.5273382229958835
Energy: 0.5407461231076431
Energy: 0.5041740033638227
Energy: 0.5236679260437631
Energy: 0.5169322612963572
Energy: 0.5916681681965598
Energy: 0.5433006017514247
Energy: 0.6462798776440943
Energy: 0.556753142385976
Energy: 0.6393048918013335
Energy: 0.5741978144332841
Energy: 0.5127709150852368
Energy: 0.6352675041841145
Energy: 0.5264655571896518
Energy: 0.5187689562082151
Energy: 0.569496932275885
Energy: 0.547744399670738
Energy: 0.6046956765554025
Energy: 0.5721815364959308
Energy: 0.5423552651040773
Energy: 0.5147636154968032
Energy: 0.5398366495022603
Energy: 0.5755861899564358
Energy: 0.6103221044983654
Energy: 0.5699641936916245
Energy: 0.553485979708987
Energy: 0.5186117165685701
Energy: 0.5477104806857259
Energy: 0.5592812803559131
Energy: 0.5979604831685761
Energy: 0.6435872373514127
Energy: 0.5077110485290112
Energy: 0.5133792534433462
Energy: 0.5123825752484396
Energy: 0.5722704733541499
Energy: 0.6176971179619375
Energy: 0.6247522622963584
Energy: 0.5378158969625998
Energy: 0.5701837035611858
Energy: 0.6002911234090705
Energy: 0.5648109786099367
Energy: 0.48673362234399753
Energy: 0.5066014811342132
Energy: 0.620106730832749
Energy: 0.5042320255780159
Energy: 0.614431125593192
Energy: 0.5072280291130244
Energy: 0.4865826246598943
Energy: 0.5583577801792083
Energy: 0.6390136659170639
Energy: 0.5692403924546188
Energy: 0.5403724102747262
Energy: 0.5542807842114754
Energy: 0.4834996994703156
Energy: 0.5518852088417977
Energy: 0.5764472030822242
Energy: 0.5280685411577527
Energy: 0.5382828184519759
Energy: 0.5504080578798126
Energy: 0.4906589756424338
Energy: 0.5322772523597943
Energy: 0.5945157749284671
Energy: 0.5292650169769904
Energy: 0.5623779127532141
Energy: 0.5411646741549335
Energy: 0.6297486554771194
Energy: 0.6494172872152023
Energy: 0.5448440707610009
Energy: 0.581768686073324
Energy: 0.5547024558117871
Energy: 0.638118327321777

minimum gb energy = 0.4735197564257253 eV
minimum distance =  2.27075398592302 Angstroms
sigma value = 67


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

Energy: 0.7975088964484285
Energy: 0.6154382406916997
Energy: 0.6268829699428586
Energy: 0.5968483813206859
Energy: 0.628025553845209
Energy: 0.6373832706079717
Energy: 0.6384968124999714
Energy: 0.5978128507057064
Energy: 0.5851245003866632
Energy: 0.5573486989817742
Energy: 0.6087427471613743
Energy: 0.635505587427075
Energy: 0.6525417896464966
Energy: 0.5834101326373111
Energy: 0.6040622382907403
Energy: 0.619110198703312
Energy: 0.5657447142002372
Energy: 0.5990049492722688
Energy: 0.5990178494918137
Energy: 0.6111278997453299
Energy: 0.6559017695065017
Energy: 0.5808573990235598
Energy: 0.5991469744100618
Energy: 0.6090456846808822
Energy: 0.5433475602706114
Energy: 0.6261964736891199
Energy: 0.6467602589664618
Energy: 0.6288202640885319
Energy: 0.6474690906950931
Energy: 0.5522070959032566
Energy: 0.6093313559332193
Energy: 0.6406414832444809
Energy: 0.584266335598956
Energy: 0.5497507520123162
Energy: 0.637424844915402
Energy: 0.5681842874626449
Energy: 0.5163994331870451
Energy: 0.5772766917815275
Energy: 0.6214592191957268
Energy: 0.6041377622506561
Energy: 0.6659440203605599
Energy: 0.5545262308050823
Energy: 0.6303155236089617
Energy: 0.6422342843480024
Energy: 0.5659382630282767
Energy: 0.5378758166091734
Energy: 0.5842403446415265
Energy: 0.5647630658312458
Energy: 0.6192859114701997
Energy: 0.5594056408221426
Energy: 0.5604513924201336
Energy: 0.5693501833393969
Energy: 0.5581987695918689
Energy: 0.649081916144293
Energy: 0.658163829831492
Energy: 0.5694128796460335
Energy: 0.5729644251601658
Energy: 0.5387147772746184
Energy: 0.5424704667090825
Energy: 0.621943950651746
Energy: 0.6205853417441733
Energy: 0.5919700576487843
Energy: 0.5650065276702315
Energy: 0.5431514160296282
Energy: 0.5743714155555857
Energy: 0.593843127146759
Energy: 0.6289691229142145
Energy: 0.6111164097119235
Energy: 0.5272274285884564
Energy: 0.5005560870880245
Energy: 0.6009976974630967
Energy: 0.6101283884588007
Energy: 0.6491482355028874
Energy: 0.5612876202506454
Energy: 0.5712087116179002
Energy: 0.5004367400966393
Energy: 0.5713252899545616
Energy: 0.5578765614826727
Energy: 0.6966145363446444
Energy: 0.5605783928342233
Energy: 0.5662741546940496
Energy: 0.5927888341552968
Energy: 0.5596571493967688
Energy: 0.5807975047378943
Energy: 0.6687893408192956
Energy: 0.5807684495607034
Energy: 0.623949525324008
Energy: 0.5543130145825623
Energy: 0.5518598779988978
Energy: 0.5783603651057426
Energy: 0.6259107183809809
Energy: 0.5595417202026087
Energy: 0.6187804834892623
Energy: 0.5469396161718848
Energy: 0.6179362091042768
Energy: 0.6316424580625652
Energy: 0.688532495899247
Energy: 0.6078061651086055
Energy: 0.6135164869696396
Energy: 0.523610389962291
Energy: 0.615274431710786
Energy: 0.5771884212165547
Energy: 0.6296456809944663
Energy: 0.6389924840270548
Energy: 0.5399212572924817
Energy: 0.5554099900185913
Energy: 0.6510919186761137
Energy: 0.5938264809706237
Energy: 0.6576325656185696
Energy: 0.6420418033528342
Energy: 0.6361858596986146
Energy: 0.5376122373059304
Energy: 0.6441956606887871
Energy: 0.622795445130094
Energy: 0.5514319464098218
Energy: 0.5633090305940865
Energy: 0.5653850455632381
Energy: 0.6040099511159513
Energy: 0.5636688126253756
Energy: 0.5664176027110817
Energy: 0.5633050122092409
Energy: 0.5816218989939171
Energy: 0.6015798851715279
Energy: 0.6052770792656377
Energy: 0.5570027325501102
Energy: 0.5737185293917109
Energy: 0.6367483426008137
Energy: 0.5836406386913312
Energy: 0.640723154706639
Energy: 0.6063007433539255
Energy: 0.5973384216856483
Energy: 0.6195065449494792
Energy: 0.6029791442582612
Energy: 0.6611123931219887
Energy: 0.6346563032866951
Energy: 0.581716854455588
Energy: 0.6534645135583778
Energy: 0.6341669392117459

minimum gb energy = 0.5004367400966393 eV
minimum distance =  2.26170300886991 Angstroms
sigma value = 33


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

Energy: 0.8694680582873024
Energy: 0.6088343603004646
Energy: 0.602165136842107
Energy: 0.5702440744807923
Energy: 0.6361533331261958
Energy: 0.6014353498776546
Energy: 0.6445490693791729
Energy: 0.5828136199682109
Energy: 0.6247166804995271
Energy: 0.5682422492038683
Energy: 0.6107319146338767
Energy: 0.6024108616295113
Energy: 0.6759436214977955
Energy: 0.5532080292129242
Energy: 0.6279502253008691
Energy: 0.5991460028336695
Energy: 0.5531064150640708
Energy: 0.5955790336867032
Energy: 0.7291545584394059
Energy: 0.5572309717660929
Energy: 0.6333285513959388
Energy: 0.5883742430603542
Energy: 0.5276848504318385
Energy: 0.5736573987341903
Energy: 0.658772442683231
Energy: 0.579664801506138
Energy: 0.5847149633056202
Energy: 0.6109883830076502
Energy: 0.5730779637366611
Energy: 0.5841299356270839
Energy: 0.6397089337836304
Energy: 0.6005956849737387
Energy: 0.6151667562854979
Energy: 0.6531049137417616
Energy: 0.6177568361145623
Energy: 0.5605699305211262
Energy: 0.5981448106660002
Energy: 0.6597059112284392
Energy: 0.5772295035274492
Energy: 0.5907407786836493
Energy: 0.6062440950564588
Energy: 0.6159355502558471
Energy: 0.5877488364136642
Energy: 0.6124573649487924
Energy: 0.5861403687455027
Energy: 0.5733648884526478
Energy: 0.5738500245997423
Energy: 0.5692345786113842
Energy: 0.6626083867789478
Energy: 0.5300188699931171
Energy: 0.5900060640979932
Energy: 0.5593938639869651
Energy: 0.5541435114502189
Energy: 0.6253386382717018
Energy: 0.6522723745835011
Energy: 0.5915686381238213
Energy: 0.5306038696739959
Energy: 0.5950118504514149
Energy: 0.5271155585009862
Energy: 0.6071078480566376
Energy: 0.6419207412481182
Energy: 0.6060826180694091
Energy: 0.5625925124992519
Energy: 0.6112160782803145
Energy: 0.5483650675123363
Energy: 0.6295238709334836
Energy: 0.6271427275712625
Energy: 0.6219427803328317
Energy: 0.6842847280634803
Energy: 0.6122789288855315
Energy: 0.6233651961081166
Energy: 0.5934991817945545
Energy: 0.6276117897257834
Energy: 0.6570791647347163
Energy: 0.5857447529662185
Energy: 0.6001579013821363
Energy: 0.6240943077689094
Energy: 0.5731781973368097
Energy: 0.616450186615918
Energy: 0.6440806282560136
Energy: 0.5931625853956379
Energy: 0.5712349379780394
Energy: 0.5794636528510827
Energy: 0.6623730025110605
Energy: 0.606531623552041
Energy: 0.581660470022974
Energy: 0.5466532602667107
Energy: 0.5787698443863027
Energy: 0.5501389889396586
Energy: 0.65267827304577
Energy: 0.6253030502199367
Energy: 0.5329446390235785
Energy: 0.548980303761574
Energy: 0.5641622181591892
Energy: 0.5309380783528848
Energy: 0.5833839824357053
Energy: 0.6436803500834736
Energy: 0.592789295342345
Energy: 0.5836040315527603
Energy: 0.5868448661968753
Energy: 0.5737306479018882
Energy: 0.6431642555357694
Energy: 0.6599843781595333
Energy: 0.6677331003899182
Energy: 0.5911480499486642
Energy: 0.5969298519536272
Energy: 0.6334273818540149
Energy: 0.5901586196558893
Energy: 0.6101486064250691
Energy: 0.6427918318995667
Energy: 0.6168504766128924
Energy: 0.5751146615219923
Energy: 0.636616002700265
Energy: 0.5626220570062695
Energy: 0.663296158438477
Energy: 0.6261339291504239
Energy: 0.6099763590878847
Energy: 0.6024634865698116
Energy: 0.5918020695051998
Energy: 0.6008625627294394
Energy: 0.7226734473896812
Energy: 0.5841864135515888
Energy: 0.6004809875597977
Energy: 0.6067898230070411
Energy: 0.5529498480478132
Energy: 0.6327634836522081
Energy: 0.6484502253480559
Energy: 0.5289713725898639
Energy: 0.5585732747195465
Energy: 0.6038207706085454
Energy: 0.5576231553755995
Energy: 0.5941847596422568
Energy: 0.641809167412196
Energy: 0.5897390776787921
Energy: 0.5849391351576451
Energy: 0.5497112777133573
Energy: 0.5803550579221837
Energy: 0.6274814182492029
Energy: 0.7377166734224945
Energy: 0.6193716221853016
Energy: 0.5955815021738885
Energy: 0.5674397014387476
Energy: 0.6046882693227504
Energy: 0.6416710291384812
Energy: 0.6413784125619837
Energy: 0.6170949452080562
Energy: 0.6601690068557801
Energy: 0.5665059092308112
Energy: 0.6921194271015573
Energy: 0.6071336785102668
Energy: 0.6305303215181601
Energy: 0.6006053202948224
Energy: 0.6027988727191073
Energy: 0.7054194864344532
Energy: 0.6130093096642678
Energy: 0.5978436788542343
Energy: 0.6748720028188373
Energy: 0.5797387338396848
Energy: 0.5286145660601503
Energy: 0.6246407432378883
Energy: 0.5274960043668723
Energy: 0.5566580388038601
Energy: 0.696079007425146
Energy: 0.5265791685872478
Energy: 0.6019080880805213
Energy: 0.5975560370173018
Energy: 0.5639679443165234
Energy: 0.5643971819150807
Energy: 0.6600964274724179
Energy: 0.5616991494196611
Energy: 0.6300693268543905
Energy: 0.6360233822459698
Energy: 0.5550976797768885
Energy: 0.5693397533795189
Energy: 0.5879346179068347
Energy: 0.5983605418695828
Energy: 0.5956926131368774
Energy: 0.5607230971202715
Energy: 0.6227772455224063
Energy: 0.6129631988901397
Energy: 0.6136188344351456
Energy: 0.6327568079465493
Energy: 0.5618190101991481
Energy: 0.567622062157782
Energy: 0.658426191810725
Energy: 0.5908863393492586
Energy: 0.6710349356560174
Energy: 0.5936208201610633
Energy: 0.6461452163931682
Energy: 0.5925520069564015
Energy: 0.6417619582861348
Energy: 0.5988476993750075
Energy: 0.6839992280231758
Energy: 0.5500068020399066
Energy: 0.5757778859799619
Energy: 0.5714112608854313
Energy: 0.5798765699642294
Energy: 0.5657500022269926
Energy: 0.7079953933941685
Energy: 0.5300543102340168
Energy: 0.599147262127122
Energy: 0.6007948439619882
Energy: 0.5289172479839427
Energy: 0.5598246789410458
Energy: 0.6640950961969301
Energy: 0.5705037065214366
Energy: 0.6298511513621232
Energy: 0.5904906550964998
Energy: 0.5826077057379062
Energy: 0.5716404040033725
Energy: 0.6408159905157965
Energy: 0.5856354093254991
Energy: 0.6631079429942293
Energy: 0.5750346479001033
Energy: 0.6436020427796226
Energy: 0.5916745134666793
Energy: 0.5939131633356004
Energy: 0.6392252309995935
Energy: 0.6620979214280389
Energy: 0.5820261507651202
Energy: 0.6452261632660881
Energy: 0.5985832377457331

minimum gb energy = 0.5265791685872478 eV
minimum distance =  2.26315791228322 Angstroms
sigma value = 41


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

Energy: 0.8005451246641634
Energy: 0.6647961416236459
Energy: 0.5847000439539267
Energy: 0.6132722915696808
Energy: 0.6289755704594419
Energy: 0.6928692918220873
Energy: 0.6160337814046658
Energy: 0.5018264748440056
Energy: 0.5477568447155056
Energy: 0.5707819122092247
Energy: 0.4591755175427026
Energy: 0.5060166972566844
Energy: 0.5905394608940945
Energy: 0.5142860965939533
Energy: 0.48054071804043114
Energy: 0.5298553675965169
Energy: 0.5150568726788862
Energy: 0.5460164724557253
Energy: 0.8366915527525758
Energy: 0.5610835213939688
Energy: 0.5675861948624984
Energy: 0.5899052269952606
Energy: 0.5294726338454765
Energy: 0.5617312110437415
Energy: 0.6839853035373908
Energy: 0.5470527397982494
Energy: 0.5040921643545633
Energy: 0.635804366006713
Energy: 0.5101802533030342
Energy: 0.544725962951559
Energy: 0.6537955073357218
Energy: 0.6469507561581797
Energy: 0.6627805684569726
Energy: 0.5879317951627241
Energy: 0.5865877788988254
Energy: 0.6185770408024118
Energy: 0.6037456670953061
Energy: 0.5596041303951083
Energy: 0.6427901874024663
Energy: 0.5858865225561256
Energy: 0.643435989940967
Energy: 0.5183594513909133
Energy: 0.7732987108747955
Energy: 0.4886093933216518
Energy: 0.5875448666623406
Energy: 0.5675389417746189
Energy: 0.5479505283710795
Energy: 0.6698267642428914
Energy: 0.6114623740426123
Energy: 0.5018564500004262
Energy: 0.5664510123621287
Energy: 0.5063196242643451
Energy: 0.4580085092362465
Energy: 0.5552977363184982
Energy: 0.6910708406314192
Energy: 0.516060457821884
Energy: 0.5147620599574779
Energy: 0.5655108110811587
Energy: 0.503868574459122
Energy: 0.5184137879368532
Energy: 0.7730022142537849
Energy: 0.5619815653524891
Energy: 0.5910922677231352
Energy: 0.5886672032081421
Energy: 0.5293812964131708
Energy: 0.5625733724975931
Energy: 0.6850255763951759
Energy: 0.5874040305586042
Energy: 0.5455570474434701
Energy: 0.6156777466298277
Energy: 0.5443095608302649
Energy: 0.5874078394960665
Energy: 0.6437191138363824
Energy: 0.587912607781632
Energy: 0.5249761158240723
Energy: 0.5740557442112659
Energy: 0.5460517979712507
Energy: 0.6414733820750372
Energy: 0.773147825576344
Energy: 0.6625351565246925
Energy: 0.5907718330757135
Energy: 0.5925166246713099
Energy: 0.6229969167220943
Energy: 0.6688094120109401

minimum gb energy = 0.4580085092362465 eV
minimum distance =  2.27169573306403 Angstroms
sigma value = 11


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

Energy: 0.7057741266888566
Energy: 0.5913057811403211
Energy: 0.5956023882959922
Energy: 0.6090160143530351
Energy: 0.6406731085711943
Energy: 0.711565497991891
Energy: 0.5750811184581158
Energy: 0.6317817911778224
Energy: 0.6401553360542884
Energy: 0.615083083050884
Energy: 0.5739204553378547
Energy: 0.599474209784914
Energy: 0.7140581513874957
Energy: 0.5839440020206403
Energy: 0.5467510042073818
Energy: 0.6204121721929046
Energy: 0.5852118933419581
Energy: 0.5850528282492612
Energy: 0.7164535376120145
Energy: 0.5445588508275264
Energy: 0.5639351513385048
Energy: 0.6188430753582372
Energy: 0.5435186678827902
Energy: 0.5441853179517081
Energy: 0.7166615264924661
Energy: 0.5455412439449795
Energy: 0.547801035756684
Energy: 0.6244245852949376
Energy: 0.561449537102012
Energy: 0.5930396598592323
Energy: 0.7168038962790694
Energy: 0.5689599739450809
Energy: 0.6490919237443487
Energy: 0.5576014959293722
Energy: 0.5482940777400093
Energy: 0.5850100726960321
Energy: 0.6337785312558826
Energy: 0.5488282323831287
Energy: 0.6461229260956538
Energy: 0.6159591341034218
Energy: 0.6413187753144008
Energy: 0.5784001380601596
Energy: 0.6407915491752527
Energy: 0.6136857552827313
Energy: 0.602745212506929
Energy: 0.5666385302987412
Energy: 0.6135214520329068
Energy: 0.5521153109651488
Energy: 0.583206830357792
Energy: 0.5970574469199237
Energy: 0.5369003924616358
Energy: 0.5883808507582224
Energy: 0.5901669274581993
Energy: 0.5645754491112933
Energy: 0.6947976639277273
Energy: 0.5896478720508344
Energy: 0.538577043405413
Energy: 0.5835308093618135
Energy: 0.5786779962856319
Energy: 0.6059521284731153
Energy: 0.7056650445725874
Energy: 0.5382198668141905
Energy: 0.5486062196023558
Energy: 0.6077657562137486
Energy: 0.5641721557362446
Energy: 0.549409263273027
Energy: 0.6899982210620014
Energy: 0.5627825772212954
Energy: 0.5738770993119465
Energy: 0.5727907230967948
Energy: 0.5891736049356954
Energy: 0.568383447913906
Energy: 0.5763248900835332
Energy: 0.569725879426436
Energy: 0.5368174565639505
Energy: 0.6335037320024539
Energy: 0.5387637747816435
Energy: 0.5788312944566593
Energy: 0.7266109924669698
Energy: 0.5834343382523857
Energy: 0.610420756283292
Energy: 0.6083122403549481
Energy: 0.58101445334326
Energy: 0.5852598544940074
Energy: 0.6210876576283062
Energy: 0.6030561545207043
Energy: 0.5948407434951142
Energy: 0.6053574600359676
Energy: 0.654310529511867
Energy: 0.6330532152107592
Energy: 0.6793062648145635
Energy: 0.5966344353969014
Energy: 0.6143348720214685
Energy: 0.7114981728113562
Energy: 0.590582194300459
Energy: 0.595949226772809
Energy: 0.6711553865189314
Energy: 0.6548054057693196
Energy: 0.567251354569735
Energy: 0.5483096593162157
Energy: 0.5799006166162358
Energy: 0.6305574576494565
Energy: 0.7793416725029759
Energy: 0.5880930559925276
Energy: 0.5756677203146726
Energy: 0.6139234726589337
Energy: 0.5808384241762857
Energy: 0.6263518442902568
Energy: 0.6778093190181438
Energy: 0.5460999172503079
Energy: 0.5446231613674615
Energy: 0.5900143068346647
Energy: 0.5452959026823562
Energy: 0.5645527923203252
Energy: 0.6825693554694108
Energy: 0.5463109593551795
Energy: 0.5452478196763514
Energy: 0.5949351330093815
Energy: 0.545328060970154
Energy: 0.5473922782887053
Energy: 0.6442094699408583
Energy: 0.548468418967214
Energy: 0.5806921523390041
Energy: 0.590736536299829
Energy: 0.5804239660065373
Energy: 0.6958675410089047
Energy: 0.675250569835863
Energy: 0.6396994190504424
Energy: 0.5574732825125732
Energy: 0.546795647721443
Energy: 0.5464101939484585
Energy: 0.6351637195267191
Energy: 0.6606038991307598
Energy: 0.5992296766519992
Energy: 0.5684267706997173
Energy: 0.6083780901270176
Energy: 0.6174939759460017
Energy: 0.5641652003210416
Energy: 0.6690393974459243
Energy: 0.5374643008798486
Energy: 0.5940830918386533
Energy: 0.566484452369861
Energy: 0.6013134318098967
Energy: 0.6275844515153182
Energy: 0.6794522814879054
Energy: 0.536915262885297
Energy: 0.5978530854054624
Energy: 0.5973140845606378
Energy: 0.5896922448099307
Energy: 0.5583017147377679
Energy: 0.6997434952265152
Energy: 0.5632250479908419
Energy: 0.5383289337328501
Energy: 0.6225676834169366
Energy: 0.5478022487399447
Energy: 0.5491444316511117
Energy: 0.7438757274092769
Energy: 0.5998703933761248
Energy: 0.5683719685819079
Energy: 0.567728215842247
Energy: 0.5947033197146412
Energy: 0.5735672257656496
Energy: 0.7480451830482826
Energy: 0.5369703464817626
Energy: 0.5438043712914208
Energy: 0.6323510024096543
Energy: 0.5469771362184642
Energy: 0.5476262349929628
Energy: 0.6889142087836571
Energy: 0.5803049659364747
Energy: 0.596052640134818
Energy: 0.5957320160253764
Energy: 0.5960320314276495
Energy: 0.584376881020732
Energy: 0.5865685363878871
Energy: 0.5945840086423647
Energy: 0.6058753091703062
Energy: 0.603338292648248
Energy: 0.6244517929178565
Energy: 0.5933760464335257
Energy: 0.6755039984493537
Energy: 0.6569862117382875
Energy: 0.6155572234167591
Energy: 0.625704886332738
Energy: 0.6308993805880202
Energy: 0.6071739366110182

minimum gb energy = 0.5368174565639505 eV
minimum distance =  2.26239478591279 Angstroms
sigma value = 57


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

Energy: 0.972183838066681
Energy: 0.6298381706339364
Energy: 0.5789407654509664
Energy: 0.579389989919514
Energy: 0.5621954453033394
Energy: 0.7486154398304795
Energy: 0.6493333959802424
Energy: 0.536607949702226
Energy: 0.5597616156104606
Energy: 0.6170612389651631
Energy: 0.5122923311242593
Energy: 0.5550661449857527
Energy: 0.7162379997504909
Energy: 0.48339876338372434
Energy: 0.5331472865110823
Energy: 0.46076207773892713
Energy: 0.5470712633551403
Energy: 0.4801762670312044
Energy: 0.5177815177696786
Energy: 0.522875989459009
Energy: 0.5086997735036884
Energy: 0.6062859353692654
Energy: 0.5309341229081558
Energy: 0.5209449801810825
Energy: 0.6925889984723901
Energy: 0.5200012745276282
Energy: 0.4946883541649071
Energy: 0.5230626550085106
Energy: 0.49587843124270753
Energy: 0.5540793030571981
Energy: 0.6441903247473605
Energy: 0.5219270180562778
Energy: 0.5380409790390422
Energy: 0.4878162240791892
Energy: 0.5537102355387916
Energy: 0.49872029347283614
Energy: 0.6385112356882341
Energy: 0.5963058855037104
Energy: 0.6079966241724234
Energy: 0.5539741968973165
Energy: 0.6105913949835334
Energy: 0.5841724896730741
Energy: 0.6385831952977803
Energy: 0.6269819713534112
Energy: 0.5944317575319645
Energy: 0.5676392125470229
Energy: 0.629105953648238
Energy: 0.6223649309219723
Energy: 0.6529631887355907
Energy: 0.5672837452840733
Energy: 0.5020386428261044
Energy: 0.4182280710497053
Energy: 0.534690964485713
Energy: 0.5675942470429298
Energy: 0.6705222670317385
Energy: 0.5922726065716489
Energy: 0.5020443840318085
Energy: 0.418553547771229
Energy: 0.5123351533024673
Energy: 0.5636718490884765
Energy: 0.6421768280385215
Energy: 0.551960537958676
Energy: 0.4986208001750505
Energy: 0.4987447080680186
Energy: 0.5553456788525547
Energy: 0.5487696346819706
Energy: 0.6421986926026176
Energy: 0.49485393505936703
Energy: 0.5371572551222379
Energy: 0.49817256840436386
Energy: 0.5198586187266412
Energy: 0.5386917966209098
Energy: 0.6369559216117527
Energy: 0.5323371815336227
Energy: 0.5291999276007083
Energy: 0.5276968280057799
Energy: 0.5315097946724355
Energy: 0.5083350961229637
Energy: 0.6990629584702045
Energy: 0.5152340949408315
Energy: 0.48239383175010375
Energy: 0.4813491012529186
Energy: 0.5262420921671044
Energy: 0.497432356281503
Energy: 0.5626415519749385
Energy: 0.5286676963990833
Energy: 0.5601332177714622
Energy: 0.4979022141260586
Energy: 0.5331043883942984
Energy: 0.6065305840886367
Energy: 0.6884529425817787
Energy: 0.5585782213817754
Energy: 0.6307013728073115
Energy: 0.500171728507494
Energy: 0.6345144803182795
Energy: 0.559204706979232
Energy: 0.6302639234701349
Energy: 0.6270580506859134
Energy: 0.5806253121921462
Energy: 0.5681175902250507
Energy: 0.5239279220198886
Energy: 0.6149461201739661

minimum gb energy = 0.4182280710497053 eV
minimum distance =  2.27862948112409 Angstroms
sigma value = 9


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

Energy: 1.0399652021168093
Energy: 0.6279816326960456
Energy: 0.5698072619557911
Energy: 0.6047885429518706
Energy: 0.5664424502442886
Energy: 0.511546393656468
Energy: 0.5865320401095119
Energy: 0.5645684405188738
Energy: 0.6382742772216942
Energy: 0.5131620734139171
Energy: 0.6068608512410654
Energy: 0.5644245987671399
Energy: 0.696500580912218
Energy: 0.5159287335023566
Energy: 0.5315307546061935
Energy: 0.4921522941687691
Energy: 0.5465601507754745
Energy: 0.48010466401886354
Energy: 0.6969486389717464
Energy: 0.55666836174197
Energy: 0.5207144460636598
Energy: 0.5292895326558383
Energy: 0.5492820814490204
Energy: 0.5833844205341033
Energy: 0.753217199380509
Energy: 0.5133621180660717
Energy: 0.5058838014135327
Energy: 0.5204240253003201
Energy: 0.5058836579055814
Energy: 0.5149323173933091
Energy: 0.6724539424425031
Energy: 0.5912860488624307
Energy: 0.5506241170974892
Energy: 0.4972836574949022
Energy: 0.5078203139446794
Energy: 0.5543032455087011
Energy: 0.6896096351043316
Energy: 0.5476479725823623
Energy: 0.5242452281766994
Energy: 0.5423434256462358
Energy: 0.5510608649013801
Energy: 0.549678622174451
Energy: 0.6139495137602748
Energy: 0.5967009323595746
Energy: 0.5134956393665978
Energy: 0.5140210527503916
Energy: 0.6042998121993232
Energy: 0.6154340053741467
Energy: 0.7133247896968441
Energy: 0.6014029146418401
Energy: 0.6152955408065934
Energy: 0.5676180548839399
Energy: 0.6258818903652816
Energy: 0.5435892307921399
Energy: 0.6500976583545012
Energy: 0.5417138725294153
Energy: 0.6060331328926855
Energy: 0.607796847755312
Energy: 0.6024326131927766
Energy: 0.6091228388611165
Energy: 0.6563974205119816
Energy: 0.6208275742664446
Energy: 0.5931480244884854
Energy: 0.5741609271670695
Energy: 0.5885554751061214
Energy: 0.5888449143737727
Energy: 0.6575965471370468
Energy: 0.5996698014201913
Energy: 0.5084609262183168
Energy: 0.5131254568954003
Energy: 0.6154234713104255
Energy: 0.5882512609784377
Energy: 0.7093090813946332
Energy: 0.5154196180704954
Energy: 0.6071225896339915
Energy: 0.49202954864369725
Energy: 0.5819264693092946
Energy: 0.5135180166023099
Energy: 0.6960088263502834
Energy: 0.5471727262562829
Energy: 0.5512509496875438
Energy: 0.5209640784355775
Energy: 0.5488163697699672
Energy: 0.5243194603014587
Energy: 0.7535832466789785
Energy: 0.5674822457601527
Energy: 0.5066673041359514
Energy: 0.5318527980656685
Energy: 0.5048612063216217
Energy: 0.5818654527019569
Energy: 0.6919053321823366
Energy: 0.5050771368497577
Energy: 0.511723453416999
Energy: 0.5777742423153118
Energy: 0.5105189746979406
Energy: 0.527970905851953
Energy: 0.584173102226628
Energy: 0.5499066033692201
Energy: 0.547828804103544
Energy: 0.5254123768683387
Energy: 0.5626333912663889
Energy: 0.5719385100588369
Energy: 0.6160660278784811
Energy: 0.5246106357512255
Energy: 0.5171386337471958
Energy: 0.5121311374271186
Energy: 0.5164735954869935
Energy: 0.5216239883642818
Energy: 0.7481472709524306
Energy: 0.6193108662375468
Energy: 0.5649481722361034
Energy: 0.5115733344127588
Energy: 0.6043846183277085
Energy: 0.6133175117867226
Energy: 0.735595662141516
Energy: 0.5830808659707448
Energy: 0.6158126610492209
Energy: 0.5670796206566098
Energy: 0.6169561862443771
Energy: 0.5513688912015239
Energy: 0.5753220203724138
Energy: 0.6009951797246831
Energy: 0.510080787513813
Energy: 0.5582527581525746
Energy: 0.6225064823438201
Energy: 0.5458320774160585

minimum gb energy = 0.48010466401886354 eV
minimum distance =  2.28550140134545 Angstroms
sigma value = 27


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

Energy: 0.8900373199013648
Energy: 0.6628653041375184
Energy: 0.561615503021905
Energy: 0.5944766465144155
Energy: 0.6640424008849456
Energy: 0.6027129357262243
Energy: 0.7127660520087358
Energy: 0.5890568730839182
Energy: 0.6708735361934779
Energy: 0.6433575934922683
Energy: 0.6870398098765559
Energy: 0.5390405912778202
Energy: 0.6015022726877213
Energy: 0.537590948641584
Energy: 0.5578591533496291
Energy: 0.5439591698199064
Energy: 0.5781594724023794
Energy: 0.49224659544146404
Energy: 0.6138492504294301
Energy: 0.5699385921017646
Energy: 0.545738299414588
Energy: 0.5752890689769294
Energy: 0.5861557252045003
Energy: 0.5773280994098685
Energy: 0.7701455136040121
Energy: 0.5324765294300962
Energy: 0.5342439572091358
Energy: 0.566829918341954
Energy: 0.5111537516848621
Energy: 0.5316072709893458
Energy: 0.7057089629161505
Energy: 0.5652717274284148
Energy: 0.5429886740448939
Energy: 0.5156805715656056
Energy: 0.5441649016893024
Energy: 0.5682525391391888
Energy: 0.6845357666121754
Energy: 0.5349486602461815
Energy: 0.5155010408391952
Energy: 0.49730570024710313
Energy: 0.5163523712186313
Energy: 0.5332188141489964
Energy: 0.6504889738341627
Energy: 0.5363721281483393
Energy: 0.5363111818550035
Energy: 0.4448674592456866
Energy: 0.539747491669405
Energy: 0.5520330178673891
Energy: 0.7289043634940722
Energy: 0.5321568287749409
Energy: 0.5793458282949949
Energy: 0.6469902149799819
Energy: 0.5919819885882021
Energy: 0.5363780629385388
Energy: 0.5977588550457774
Energy: 0.5481462605862996
Energy: 0.6182358756753459
Energy: 0.5561725455772459
Energy: 0.5526641839221772
Energy: 0.5430506387402959
Energy: 0.6569548801386381
Energy: 0.6227406361537254
Energy: 0.6128450379109732
Energy: 0.5854880059814761
Energy: 0.6085679682192623
Energy: 0.5800156384556807
Energy: 0.680554316113284
Energy: 0.562881517127587
Energy: 0.6100921954903276
Energy: 0.5898597973649743
Energy: 0.5665763247495832
Energy: 0.5733609902815154
Energy: 0.5785516401016484
Energy: 0.5193420745310343
Energy: 0.6005776022190487
Energy: 0.5149188082997631
Energy: 0.5891451329301892
Energy: 0.48362378544258694
Energy: 0.6346281848324717
Energy: 0.6195074828530938
Energy: 0.6438012442738099
Energy: 0.5812495305758455
Energy: 0.5922261664293815
Energy: 0.6113727705539039
Energy: 0.6171660942331925
Energy: 0.5767314438372662
Energy: 0.5611389102113777
Energy: 0.48207523168847494
Energy: 0.5490323536884861
Energy: 0.5360487729890513
Energy: 0.6318255536525458
Energy: 0.5298117152814142
Energy: 0.5502282535946385
Energy: 0.4780632771762736
Energy: 0.5224140952379746
Energy: 0.541904357376427
Energy: 0.7049270161207349
Energy: 0.5580403735453764
Energy: 0.5458390161362215
Energy: 0.5347984416757239
Energy: 0.543981592873128
Energy: 0.5407200784488454
Energy: 0.7331086312349888
Energy: 0.536887188022388
Energy: 0.5626787554180711
Energy: 0.5587233227441976
Energy: 0.5383635498119554
Energy: 0.5478404647906965
Energy: 0.6411513059939249
Energy: 0.5331323053442183
Energy: 0.522693498217485
Energy: 0.4181153144749338
Energy: 0.5388893847653722
Energy: 0.538007495046373
Energy: 0.678219604643317
Energy: 0.5165542904005902
Energy: 0.5164454900986793
Energy: 0.519371116065954
Energy: 0.5160720570683828
Energy: 0.47280399621410635
Energy: 0.6973919691030256
Energy: 0.6097921037186077
Energy: 0.5654149512826808
Energy: 0.5539564047817964
Energy: 0.5572551673960573
Energy: 0.6166575192907563
Energy: 0.8452147176665393
Energy: 0.5718114356596775
Energy: 0.539986108882256
Energy: 0.5474517062750728
Energy: 0.5769285485623294
Energy: 0.6148853682517766
Energy: 0.6871869698743627
Energy: 0.6512774165972388
Energy: 0.6075505535301363
Energy: 0.622450111283071
Energy: 0.6088103178290635
Energy: 0.6242158019757786
Energy: 0.7001625581672212
Energy: 0.5864609330074272
Energy: 0.5638030466757697
Energy: 0.5563230354365803
Energy: 0.7197095396336298
Energy: 0.5935809627320314
Energy: 0.7087695637768899
Energy: 0.6650337532259162
Energy: 0.5324659649348938
Energy: 0.5506878835984572
Energy: 0.6222406888466798
Energy: 0.6349882662925661

minimum gb energy = 0.4181153144749338 eV
minimum distance =  2.28707818235101 Angstroms
sigma value = 19


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

Energy: 0.7950100931324947
Energy: 0.6644290574125525
Energy: 0.6429365715301848
Energy: 0.6544009053230783
Energy: 0.6637146647567309
Energy: 0.6369317591536893
Energy: 0.733314249067648
Energy: 0.5761055607529602
Energy: 0.5607168450493949
Energy: 0.5442732281956303
Energy: 0.5938282525528779
Energy: 0.5265819541307337
Energy: 0.6453640302083309
Energy: 0.5825804445468918
Energy: 0.5443519744417904
Energy: 0.5012668867962513
Energy: 0.5096511873969406
Energy: 0.500489804172304
Energy: 0.6312895071802749
Energy: 0.5653984118920783
Energy: 0.5517831224790445
Energy: 0.5165370052824881
Energy: 0.5682594379500786
Energy: 0.5931237135977067
Energy: 0.7828020796373839
Energy: 0.5245788379932715
Energy: 0.5079008915211732
Energy: 0.4662600822555456
Energy: 0.5218653653616387
Energy: 0.5246197469593862
Energy: 0.6691237650940788
Energy: 0.5426624063083393
Energy: 0.5447157597847081
Energy: 0.5945781232486419
Energy: 0.5441187958021293
Energy: 0.5543274765522542
Energy: 0.5902759173984672
Energy: 0.5065446731798012
Energy: 0.512102614286128
Energy: 0.5238292241990368
Energy: 0.507911795339025
Energy: 0.5147699701099602
Energy: 0.6386274876849937
Energy: 0.5118432383952438
Energy: 0.5479083994893259
Energy: 0.5885338036977127
Energy: 0.5323033645402482
Energy: 0.512178254882821
Energy: 0.6118101992576566
Energy: 0.5271546762182457
Energy: 0.5326412375435081
Energy: 0.5215725747661515
Energy: 0.5186828316852158
Energy: 0.49783043195495885
Energy: 0.6757056360670961
Energy: 0.5191601928825781
Energy: 0.526742821290984
Energy: 0.5871594810707224
Energy: 0.541345345830726
Energy: 0.49582857657140184
Energy: 0.6123281549773909
Energy: 0.5708732929054917
Energy: 0.5863171239512185
Energy: 0.5149631406730946
Energy: 0.5805754020441021
Energy: 0.5710298971548861
Energy: 0.7116916338213819
Energy: 0.5716210481391508
Energy: 0.5615282869496008
Energy: 0.4741018484456749
Energy: 0.5629555497286989
Energy: 0.5639402967761812
Energy: 0.7151011314672583
Energy: 0.6457293188884022
Energy: 0.5502969210224758
Energy: 0.624159810667674
Energy: 0.6676759375501242
Energy: 0.6215572901563244
Energy: 0.659022455440298
Energy: 0.6144233508874615
Energy: 0.6443819657848854
Energy: 0.6182824373591997
Energy: 0.6423970485785283
Energy: 0.5912816318576264
Energy: 0.6659717850417356
Energy: 0.5036984127966874
Energy: 0.6645501252595378
Energy: 0.6095899798178637
Energy: 0.6666139953386717
Energy: 0.6113214087558058
Energy: 0.647261045768459
Energy: 0.6632608411332023
Energy: 0.5839330063611472
Energy: 0.5875358281146867
Energy: 0.589282279971313
Energy: 0.5824635500288431
Energy: 0.6233672733565835
Energy: 0.5314699493641543
Energy: 0.5398060786668148
Energy: 0.5014976929740761
Energy: 0.5795659039215022
Energy: 0.50043655575305
Energy: 0.6301013779430807
Energy: 0.5871813560207031
Energy: 0.5491859092645104
Energy: 0.5610573069003466
Energy: 0.5950107630746599
Energy: 0.5139973456049167
Energy: 0.8069045713513514
Energy: 0.5423608093475424
Energy: 0.49934998979704426
Energy: 0.5142047950130293
Energy: 0.5011538013196977
Energy: 0.5227394260007519
Energy: 0.668155669016897
Energy: 0.5317100749452509
Energy: 0.5183373669136074
Energy: 0.52667550186489
Energy: 0.5174303726143601
Energy: 0.5332977466650687
Energy: 0.6067481949510326
Energy: 0.5245955942539666
Energy: 0.5135542256710584
Energy: 0.5190453328304597
Energy: 0.5069337054689256
Energy: 0.5254263086041828
Energy: 0.7486795551292661
Energy: 0.5136327566141937
Energy: 0.5249565631124447
Energy: 0.587360291117801
Energy: 0.512670571034334
Energy: 0.5133321495993246
Energy: 0.6143664890581902
Energy: 0.519145131798354
Energy: 0.5310031000798174
Energy: 0.4639895304664308
Energy: 0.5326143532782137
Energy: 0.523296961131115
Energy: 0.6664637315106999
Energy: 0.548294543058373
Energy: 0.5250676278223174
Energy: 0.5225465630259813
Energy: 0.5427224677703759
Energy: 0.4968304951252878
Energy: 0.7106697905278941
Energy: 0.5717780780525143
Energy: 0.5861866402897575
Energy: 0.5188382453906346
Energy: 0.5792504780690989
Energy: 0.5614439046220081
Energy: 0.5843595621044678
Energy: 0.571564866880226
Energy: 0.5308812307352994
Energy: 0.5133200042250555
Energy: 0.561340096497039
Energy: 0.5700193461008397
Energy: 0.7101907343100063
Energy: 0.6852651150429178
Energy: 0.6471463485117913
Energy: 0.5966776046242113
Energy: 0.6946540006110049
Energy: 0.6656803112580972
Energy: 0.7017650575030766
Energy: 0.6445952711191001
Energy: 0.5897089276430065
Energy: 0.6236861663079643
Energy: 0.6297268300545188
Energy: 0.5952795140573257
Energy: 0.6624050572748695
Energy: 0.6622762322818848
Energy: 0.5450650891844614
Energy: 0.6372865681701821
Energy: 0.5866374622065519
Energy: 0.5824708922672314

minimum gb energy = 0.4639895304664308 eV
minimum distance =  2.2833665699651 Angstroms
sigma value = 101


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

Energy: 0.7503777265666787
Energy: 0.6763149162261223
Energy: 0.5858689770215172
Energy: 0.6310463569200384
Energy: 0.6564331548127588
Energy: 0.5913458656661283
Energy: 0.6393932607154246
Energy: 0.6138748850628207
Energy: 0.5799771569707894
Energy: 0.6126990058349885
Energy: 0.6444273766930764
Energy: 0.5437324283112989
Energy: 0.6764368829725104
Energy: 0.6021599523418135
Energy: 0.5822957527833226
Energy: 0.5481455183425314
Energy: 0.6033393838177703
Energy: 0.5623491827260414
Energy: 0.6774688598445718
Energy: 0.5834657597698176
Energy: 0.5806077601435226
Energy: 0.5751018780218274
Energy: 0.5468863994499852
Energy: 0.6528799055080765
Energy: 0.5509500025097961
Energy: 0.5695090412835988
Energy: 0.5256962047757625
Energy: 0.5005058146711224
Energy: 0.5286203842585881
Energy: 0.5429605701393496
Energy: 0.6956994677172977
Energy: 0.571852817989816
Energy: 0.5480854136008031
Energy: 0.5698653486774117
Energy: 0.549290789912599
Energy: 0.5215472216394103
Energy: 0.5882382327228329
Energy: 0.5114665518374052
Energy: 0.515905792020001
Energy: 0.5355939402442054
Energy: 0.5168996782765463
Energy: 0.5291563482163444
Energy: 0.6315732393890245
Energy: 0.5167446443447166
Energy: 0.5043991800532325
Energy: 0.5980772437817192
Energy: 0.5202677759683668
Energy: 0.5152033679694767
Energy: 0.7074438617129843
Energy: 0.5109277705167492
Energy: 0.5161307757870683
Energy: 0.5306518196077887
Energy: 0.5129779672886733
Energy: 0.5384678866266704
Energy: 0.6985764428461029
Energy: 0.5238263674609321
Energy: 0.5178439955047152
Energy: 0.5356052744438342
Energy: 0.5194062691312197
Energy: 0.5215126168719253
Energy: 0.6456927628819078
Energy: 0.5552105703585267
Energy: 0.5669496580669382
Energy: 0.49738113328908534
Energy: 0.5508648961699557
Energy: 0.5570681515832258
Energy: 0.6787104928069922
Energy: 0.5680538583590753
Energy: 0.568790525457365
Energy: 0.5680297068827947
Energy: 0.569373614697939
Energy: 0.5669331409393235
Energy: 0.670728138221346
Energy: 0.5896783579239006
Energy: 0.6057153387335719
Energy: 0.5500929275470965
Energy: 0.563224841704245
Energy: 0.5501709339242148
Energy: 0.6488554250354289
Energy: 0.59197418825644
Energy: 0.6228538716347172
Energy: 0.601561464113107
Energy: 0.6224156525675865
Energy: 0.548232264500378
Energy: 0.6989739627170001
Energy: 0.6840980325146303
Energy: 0.6976160586851622
Energy: 0.647469414265539
Energy: 0.6963871133498586
Energy: 0.5803711144075657
Energy: 0.6304471920034481
Energy: 0.6659944839993075
Energy: 0.5450012349533752
Energy: 0.6505240636334597
Energy: 0.6168994326353467
Energy: 0.6450158287350695
Energy: 0.7107089201391912
Energy: 0.6628755747935946
Energy: 0.6343176477681682
Energy: 0.5437422258965874
Energy: 0.6611602480476183
Energy: 0.6047790365333787
Energy: 0.7254281498582783
Energy: 0.6104004454221702
Energy: 0.6496037322787279
Energy: 0.5787295969396528
Energy: 0.6628925558684221
Energy: 0.5939268145193525
Energy: 0.6364561453125978
Energy: 0.5943771776915509
Energy: 0.6035885916549183
Energy: 0.5677128118210193
Energy: 0.608486113742635
Energy: 0.5488657873912948
Energy: 0.7328751073207267
Energy: 0.6170477975735382
Energy: 0.610062477684488
Energy: 0.6137787143326972
Energy: 0.5899875911003927
Energy: 0.5615825120227028
Energy: 0.6781587628037841
Energy: 0.5678604075193733
Energy: 0.5382732032069532
Energy: 0.5435217915649594
Energy: 0.5314994899186435
Energy: 0.5380162605758917
Energy: 0.6198641832292567
Energy: 0.5506955551837779
Energy: 0.581163717411659
Energy: 0.6217151328295177
Energy: 0.547931078632769
Energy: 0.5569409867276902
Energy: 0.7784595775480279
Energy: 0.5165312602941303
Energy: 0.5115260407252958
Energy: 0.4965754322471568
Energy: 0.5129359938765323
Energy: 0.5189135214732896
Energy: 0.6621747446341025
Energy: 0.518406131818303
Energy: 0.5174741875914034
Energy: 0.5296171025539531
Energy: 0.5176428746433238
Energy: 0.5187318969422758
Energy: 0.658182119794178
Energy: 0.5180490270202178
Energy: 0.5054064693106255
Energy: 0.49453737486800736
Energy: 0.5105805624184373
Energy: 0.520273923143339
Energy: 0.6042303190528303
Energy: 0.5196645412686173
Energy: 0.5191818862410422
Energy: 0.5639595005285708
Energy: 0.5208718118810108
Energy: 0.5144852155564718
Energy: 0.6193514233806026
Energy: 0.5495296915250841
Energy: 0.5531511322067459
Energy: 0.5657908759007758
Energy: 0.5547198736717146
Energy: 0.5684567423685071
Energy: 0.6899624003226422
Energy: 0.5866074312219398
Energy: 0.5799554174636569
Energy: 0.569762486432862
Energy: 0.5747073123739066
Energy: 0.5186531256649065
Energy: 0.679520622261455
Energy: 0.5911992291141552
Energy: 0.560204479704055
Energy: 0.5820630562749042
Energy: 0.6113643625964967
Energy: 0.6161165578635022
Energy: 0.6041507192597675
Energy: 0.5916675114736384
Energy: 0.5746167665845245
Energy: 0.5813377462945192
Energy: 0.5619457559429922
Energy: 0.5993094884400406
Energy: 0.7176013816725192
Energy: 0.6660353533108155
Energy: 0.6541494598996439
Energy: 0.6105231917722952
Energy: 0.6250576021566051
Energy: 0.6856796828338353
Energy: 0.7019840623112507
Energy: 0.6842060148137246
Energy: 0.6448274586518545
Energy: 0.5753035013742541
Energy: 0.6099770783283106
Energy: 0.6390276508609892
Energy: 0.6262458765782938
Energy: 0.6078840890029465
Energy: 0.54053536972213
Energy: 0.6589907284461414
Energy: 0.61658119755441
Energy: 0.6534416148841207

minimum gb energy = 0.49453737486800736 eV
minimum distance =  2.28834113296262 Angstroms
sigma value = 33


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

Energy: 0.014181617362846002
Energy: 0.16098453974489582
Energy: 0.21742712380378573
Energy: 0.16446419982922333
Energy: 0.21678372292129197
Energy: 0.014549266064855857
Energy: 0.09168462903446123
Energy: 0.27700279697837465
Energy: 0.2993580442485696
Energy: 0.09336859597655109
Energy: 0.276570965780204
Energy: 0.29918057235141576
Energy: 0.41441506414626417
Energy: 0.2201636454804678
Energy: 0.0146496976514989
Energy: 0.01577692849193735
Energy: 0.1664311316134142
Energy: 0.2209775583569239
Energy: 0.09168462903306757
Energy: 0.2770027969741537
Energy: 0.29935804674939753
Energy: 0.09336859598355934
Energy: 0.2765709657745895
Energy: 0.29918103259768336

minimum gb energy = 0.014181617362846002 eV
minimum distance =  2.35734596845402 Angstroms
sigma value = 1