Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.77775771743116e-19, 3.2567604656981396e-19, 3.5641700964637196e-19, 3.7959249465718196e-19, 3.9813288266582995e-19, 4.13199751731966e-19, 4.26271910888772e-19, 4.38153652806516e-19, 4.49003592971964e-19, 4.589434968093e-19, 4.68063086210028e-19, 4.763703720573179e-19, 4.83863752174536e-19, 4.90713057284886e-19, 4.97200270475952e-19, 5.035128464139119e-19, 5.09645978568864e-19, 5.15413814451264e-19, 5.20489510027776e-19, 5.24567049561306e-19, 5.275150545678659e-19, 5.29373579463306e-19, 5.3032847673717e-19, 5.30615266354656e-19, 5.3028682014468595e-19, 5.290483376066039e-19, 5.2616281748877e-19, 5.20244377002774e-19, 5.0925184311689995e-19, 4.906505723961599e-19, 4.61470129361118e-19, 4.18238597245896e-19, 3.5692810399261796e-19, 2.7297885490091996e-19, 1.6145935029134997e-19, 1.75970264065488e-20, -1.6201530558334799e-19, -3.7687680526255195e-19, -6.1755097269213e-19, -8.55725744572668e-19, -1.024910790593166e-18, -9.81241864256862e-19, -4.21680072655728e-19, 1.2872832361770058e-18, 5.47316355587472e-18, 1.496674904827734e-17, 3.60159694263396e-17, 8.30835930563478e-17, 1.9182059750565e-16, 4.575271726648439e-16, 1.1634349823688059e-15, 3.2800240704238195e-15, 1.0877946213010319e-14, 4.6983349139059796e-14]
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: 0.010205420232103692
Energy: 0.2184333892773867
Energy: 0.010703030496634505
Energy: 0.011683515757586875
Energy: 0.21855652613911286
Energy: 0.010565069256527814
Energy: 0.21843338927543807
Energy: 0.05253626190651837
Energy: 0.05259951590977533
Energy: 0.05263376574966298
Energy: 0.05253974880709114
Energy: 0.052621883377736996
Energy: 0.010703030497859343
Energy: 0.05259951591077747
Energy: 0.05263132317537957
Energy: 0.010703173928077727
Energy: 0.052517219610639855
Energy: 0.05255486405691854
Energy: 0.011683515757085804
Energy: 0.05263376574916191
Energy: 0.010703173931251172
Energy: 0.010388800347995998
Energy: 0.05253763379346722
Energy: 0.010601491837235083
Energy: 0.21855652613766535
Energy: 0.05253974880709114
Energy: 0.052517219610138784
Energy: 0.052537633792743454
Energy: 0.23464047907773447
Energy: 0.052543073858444235
Energy: 0.010565069255804046
Energy: 0.0526218833787113
Energy: 0.052554864056695835
Energy: 0.010601491836010245
Energy: 0.052543073858193706
Energy: 0.010649507634558537

minimum gb energy = 0.010205420232103692 eV
minimum distance =  2.85429864261935 Angstroms
sigma value = 1


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

Energy: 0.614055298049866
Energy: 0.7076082504982125
Energy: 0.6785596202395836
Energy: 0.6154810942984007
Energy: 0.5078507426820295
Energy: 0.6826075980255647
Energy: 0.5999339478684743
Energy: 0.49620575858589056
Energy: 0.49702041428532817
Energy: 0.4713306564718676
Energy: 0.5064105219744651
Energy: 0.4945664434294295
Energy: 0.6591313638900341
Energy: 0.47114258425467775
Energy: 0.47143046154551854
Energy: 0.4681296253213849
Energy: 0.4972848647272531
Energy: 0.471398864418964
Energy: 0.6781995626882679
Energy: 0.4709375172263775
Energy: 0.460070868963837
Energy: 0.6794191676175695
Energy: 0.4812009236879769
Energy: 0.45986516724058685
Energy: 0.671142059982029
Energy: 0.4779940491108301
Energy: 0.47516112822553797
Energy: 0.4736090265608785
Energy: 0.46630523754426567
Energy: 0.47515328422525643
Energy: 0.5662409717034456
Energy: 0.46822204690589475
Energy: 0.46954983608349393
Energy: 0.4708734038027919
Energy: 0.46652509500160555
Energy: 0.47118353374572336
Energy: 0.5712589464829463
Energy: 0.4811469308206936
Energy: 0.46882841778014633
Energy: 0.5059585705486069
Energy: 0.49666181143913307
Energy: 0.4687592631290147
Energy: 0.5400929988663693
Energy: 0.5013057954056103
Energy: 0.47426056500323654
Energy: 0.4868174916911267
Energy: 0.5198402884457674
Energy: 0.4683759486087396
Energy: 0.46774194131994606
Energy: 0.4686976113887872
Energy: 0.4713607552069369
Energy: 0.46672350243667327
Energy: 0.4655455377659093
Energy: 0.4692863875422165
Energy: 0.4662827122851735
Energy: 0.4737769175054568
Energy: 0.4772689867075578
Energy: 0.46608699116417296
Energy: 0.4736631602466308
Energy: 0.47473119183197987
Energy: 0.5425529366214789
Energy: 0.5953190206278954
Energy: 0.4640666935000746
Energy: 0.5360900054761957
Energy: 0.6173224896214087
Energy: 0.4560871982441335
Energy: 0.5107780381102573
Energy: 0.47243898675793483
Energy: 0.45177818737884257
Energy: 0.509620132018613
Energy: 0.4702667144766001
Energy: 0.4711052557799311
Energy: 0.5076832828683824
Energy: 0.48424223632261026
Energy: 0.4832036419744669
Energy: 0.5080328266505885
Energy: 0.47344280393820765
Energy: 0.49717840620648757
Energy: 0.4892175023828585
Energy: 0.46139828820471573
Energy: 0.46048492094473975
Energy: 0.49952314583053425
Energy: 0.6778381030315761
Energy: 0.47040755429648784
Energy: 0.48821831853326436
Energy: 0.48695724493990555
Energy: 0.48618855802858313
Energy: 0.48822413966259454
Energy: 0.4653069032301989
Energy: 0.48829824065321314
Energy: 0.49172234000180054
Energy: 0.4603271504901536
Energy: 0.4613204163499955
Energy: 0.47395992508230916
Energy: 0.4597294481963798
Energy: 0.46150682735677134
Energy: 0.5259873515775773
Energy: 0.470446086619814
Energy: 0.46780176175903065
Energy: 0.4833069244604019
Energy: 0.5592737201304178
Energy: 0.460719934424376
Energy: 0.49297375406808813
Energy: 0.47798180926621786
Energy: 0.4790206880049101
Energy: 0.490137497082099
Energy: 0.4792226733921694
Energy: 0.4786541877285927
Energy: 0.49028680853375106
Energy: 0.4738034365383942
Energy: 0.47400609904030494
Energy: 0.4743410163516515
Energy: 0.48995199277020407
Energy: 0.4732161495674844
Energy: 0.659342196157496
Energy: 0.47895852270314115
Energy: 0.47257166600180184
Energy: 0.49846369178827854
Energy: 0.47439358992092534
Energy: 0.47189627622653546
Energy: 0.6166118103898626
Energy: 0.46103554990121426
Energy: 0.4635368226678736
Energy: 0.6179592197476604
Energy: 0.4932867565429092
Energy: 0.46352110681308406
Energy: 0.6354323573655287
Energy: 0.45231022213042504
Energy: 0.46162833202250647
Energy: 0.45758285135300886
Energy: 0.47525421365675347
Energy: 0.46138076119346433
Energy: 0.6535049821171489
Energy: 0.48843228872014716
Energy: 0.4883215300870496
Energy: 0.4753902092359939
Energy: 0.4886351680850529
Energy: 0.486492924594135

minimum gb energy = 0.45177818737884257 eV
minimum distance =  2.57711757618749 Angstroms
sigma value = 33


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

Energy: 0.6923738419323177
Energy: 0.4637499494587261
Energy: 0.6327665110052407
Energy: 0.6925463249628502
Energy: 0.49338682288737035
Energy: 0.6364651409929567
Energy: 0.5824207646391005
Energy: 0.4642940507052925
Energy: 0.4637726397122723
Energy: 0.4662537114162453
Energy: 0.4921168134165654
Energy: 0.46421132525824876
Energy: 0.5724248061812773
Energy: 0.49151296904291236
Energy: 0.46374438681667324
Energy: 0.4737233378718762
Energy: 0.49191543495787593
Energy: 0.46405029649270874
Energy: 0.5765470098831915
Energy: 0.4638347598013912
Energy: 0.46392305654144006
Energy: 0.5770753866023619
Energy: 0.4637715506815018
Energy: 0.46733351011493984
Energy: 0.5778012348314012
Energy: 0.4801361503518969
Energy: 0.481063508356464
Energy: 0.4667977119231885
Energy: 0.4750434768045543
Energy: 0.4787214220902659
Energy: 0.5786199545086067
Energy: 0.44987041889700474
Energy: 0.4507283637522081
Energy: 0.4740543395783831
Energy: 0.4461077939182238
Energy: 0.44965277141745635
Energy: 0.578270062798346
Energy: 0.46232532718208397
Energy: 0.4510489581127785
Energy: 0.4668998623623688
Energy: 0.4618851831824791
Energy: 0.44973089654046816
Energy: 0.5141098657432356
Energy: 0.47360503972268775
Energy: 0.46737785614302535
Energy: 0.46773024443272593
Energy: 0.4599682129938886
Energy: 0.46771920502645015
Energy: 0.4760489751672294
Energy: 0.4594176263213303
Energy: 0.45055413573971503
Energy: 0.4767285838867581
Energy: 0.46556489224426933
Energy: 0.45065850098078136
Energy: 0.47436438277441634
Energy: 0.46705974694118596
Energy: 0.4587050627158236
Energy: 0.47442440776475026
Energy: 0.4662102381294378
Energy: 0.4789589087805553
Energy: 0.5023395513314631
Energy: 0.42984912492164556
Energy: 0.4301225963966159
Energy: 0.5012086516570452
Energy: 0.43003285072476455
Energy: 0.6325855949461153
Energy: 0.49194162073737124
Energy: 0.4488276467026882
Energy: 0.4491095638568233
Energy: 0.4917267228862783
Energy: 0.46020264473704564
Energy: 0.46397616896605415
Energy: 0.4919644186359412
Energy: 0.46779842746162414
Energy: 0.46413388458105453
Energy: 0.4919636442691411
Energy: 0.466567940060068
Energy: 0.46392788076362496
Energy: 0.5380901696012429
Energy: 0.46757364535805457
Energy: 0.4679839830013196
Energy: 0.5122802527460559
Energy: 0.4677158170707458
Energy: 0.46608117525341025
Energy: 0.47487568558353366
Energy: 0.4587407265441471
Energy: 0.47884542003878394
Energy: 0.47469473013096564
Energy: 0.458586275051875
Energy: 0.4787717981541889
Energy: 0.476312099224916
Energy: 0.44926598913568844
Energy: 0.4495143782669139
Energy: 0.4765514266363211
Energy: 0.4619829518047965
Energy: 0.4508573546757455
Energy: 0.51427308388815
Energy: 0.4669913204300341
Energy: 0.4498758334362838
Energy: 0.49499590386919
Energy: 0.4682797052854907
Energy: 0.449768609606899
Energy: 0.4597649465901067
Energy: 0.450211126496601
Energy: 0.45006584521263593
Energy: 0.4598524809302198
Energy: 0.4503714454219083
Energy: 0.4706981927381196
Energy: 0.4599246416336529
Energy: 0.4788980228783176
Energy: 0.45048956389986405
Energy: 0.4600672168838598
Energy: 0.474815264455568
Energy: 0.4494057488840699
Energy: 0.6712725318496736
Energy: 0.47980642263992984
Energy: 0.4799200804400446
Energy: 0.45738550028086283
Energy: 0.4748758030946851
Energy: 0.4802533302587059
Energy: 0.6935634103669515
Energy: 0.45004778840993515
Energy: 0.43022680828038506
Energy: 0.693173654434463
Energy: 0.4636116738234202
Energy: 0.43005600102198066
Energy: 0.6864589790870284
Energy: 0.4639218194833296
Energy: 0.46404295783784744
Energy: 0.4564684170141606
Energy: 0.4915047514799014
Energy: 0.4414000095182076
Energy: 0.5830752214553242
Energy: 0.49136722142497985
Energy: 0.49152470131656906
Energy: 0.4663787894236365
Energy: 0.4915046375857116
Energy: 0.46390166751601447
Energy: 0.576052890736717
Energy: 0.5137348009264999
Energy: 0.4652064355590673
Energy: 0.5765476680647809
Energy: 0.5122461342805992
Energy: 0.5538602234469987
Energy: 0.5820640416989482
Energy: 0.4788937786308894
Energy: 0.4789448330988995
Energy: 0.46675625787944575
Energy: 0.47944205504973514
Energy: 0.47884278312642065
Energy: 0.5810890420457085
Energy: 0.4534803549252697
Energy: 0.4499546073904149
Energy: 0.47424489750524995
Energy: 0.44696932219985824
Energy: 0.45114237658582557
Energy: 0.5779999597488343
Energy: 0.46693662447005524
Energy: 0.4668738875681354
Energy: 0.4672827518579344
Energy: 0.4673591832986398
Energy: 0.4674756670763225
Energy: 0.5810847979471212
Energy: 0.46759011303314535
Energy: 0.45729197825870765
Energy: 0.46228580025197774
Energy: 0.46029822721326336
Energy: 0.4498382353430691
Energy: 0.4746363753091636
Energy: 0.4677797302572569
Energy: 0.4575671802207554
Energy: 0.4747036404094919
Energy: 0.4603333809319304
Energy: 0.45123256309812687
Energy: 0.47526124791715846
Energy: 0.45821738090635306
Energy: 0.45747125287709123
Energy: 0.47507785827842525
Energy: 0.4582248571865307
Energy: 0.4797754973071097
Energy: 0.4914499744477544
Energy: 0.43000988780108707
Energy: 0.4299946929002466
Energy: 0.491719692593084
Energy: 0.4301659930349452
Energy: 0.43008612061151
Energy: 0.49145044870958127
Energy: 0.4483795976651994
Energy: 0.4482698341369516
Energy: 0.4914004820143508
Energy: 0.4604026724231167
Energy: 0.4640106435177503
Energy: 0.4934339937409645
Energy: 0.4676351023145428
Energy: 0.4800300991856513
Energy: 0.49391958331324337
Energy: 0.4663450958921748
Energy: 0.4915745866327505
Energy: 0.4917961582605225
Energy: 0.5554031843466701
Energy: 0.5540464257331674
Energy: 0.4917901886656586
Energy: 0.5551914385639675
Energy: 0.5474312386045452
Energy: 0.47466071760745354
Energy: 0.4682944681586467
Energy: 0.47906327490209993
Energy: 0.47581996344997673
Energy: 0.46640219463027016
Energy: 0.47890853946605105
Energy: 0.47454363440668856
Energy: 0.4507166349220056
Energy: 0.44937650660491923
Energy: 0.475635097237569
Energy: 0.4633137139618369
Energy: 0.4525914974516205
Energy: 0.4746190619003857
Energy: 0.4679461314640514
Energy: 0.46868071605104383
Energy: 0.4786969822071376
Energy: 0.4668429034288475
Energy: 0.46610761948905854
Energy: 0.45993564513512586
Energy: 0.4504560038353729
Energy: 0.4523510580243938
Energy: 0.46002101742885987
Energy: 0.46175639570620586
Energy: 0.44997302918401993
Energy: 0.4598731346435678
Energy: 0.4516672459444648
Energy: 0.45143660555151843
Energy: 0.4598812943118043
Energy: 0.4753556628242254
Energy: 0.4700614631635639
Energy: 0.5805757164533709
Energy: 0.48543556078365946
Energy: 0.47538153026491115
Energy: 0.4663809517762105
Energy: 0.47528308574419775
Energy: 0.4672834090373034
Energy: 0.6951052314988188
Energy: 0.46436369323528737
Energy: 0.43005456044391643
Energy: 0.4302372318822235
Energy: 0.4790417653136453
Energy: 0.42993873970422125

minimum gb energy = 0.42984912492164556 eV
minimum distance =  2.72300735920386 Angstroms
sigma value = 51


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

Energy: 0.6571952179272115
Energy: 0.48436695812843583
Energy: 0.5100576966317918
Energy: 0.6566329719456873
Energy: 0.4699492972842348
Energy: 0.6065347991310991
Energy: 0.4902691207112712
Energy: 0.4889643048213816
Energy: 0.4890314858873786
Energy: 0.4763053672417276
Energy: 0.48902503376476253
Energy: 0.47011337810146725
Energy: 0.6003447204503851
Energy: 0.4881727798883323
Energy: 0.4521170345670035
Energy: 0.481032588090756
Energy: 0.4888679954302452
Energy: 0.44266283106434196
Energy: 0.5900649603236995
Energy: 0.4424364232384845
Energy: 0.4425610396189737
Energy: 0.5693377875358157
Energy: 0.4423651658972045
Energy: 0.48207072976590765
Energy: 0.6425921327913013
Energy: 0.4756150313957171
Energy: 0.4749509907632971
Energy: 0.44335438188783544
Energy: 0.4725563291271099
Energy: 0.474428237732885
Energy: 0.49099484322918024
Energy: 0.47419587209748604
Energy: 0.4639022923495219
Energy: 0.49074797540727266
Energy: 0.4900651528809546
Energy: 0.46359675046162624
Energy: 0.49098954067094275
Energy: 0.48104909190744594
Energy: 0.474386704541677
Energy: 0.49066040525654425
Energy: 0.43947349159417143
Energy: 0.4744651522021734
Energy: 0.5851248891310347
Energy: 0.42734517649569237
Energy: 0.4271776664837654
Energy: 0.45996472767844027
Energy: 0.42716851533617645
Energy: 0.4272005580586068
Energy: 0.4890040579290272
Energy: 0.42712042007845885
Energy: 0.4399749600965939
Energy: 0.4700896052887017
Energy: 0.427194593717294
Energy: 0.4427044772699308
Energy: 0.4886076346967184
Energy: 0.4512890068899325
Energy: 0.4701184922709013
Energy: 0.4885938699020233
Energy: 0.510811200810962
Energy: 0.4882606586731154
Energy: 0.4891341956775668
Energy: 0.4417121784869208
Energy: 0.4413515801300464
Energy: 0.4891517363834629
Energy: 0.4421708131474912
Energy: 0.44131219204089756
Energy: 0.4727431561438083
Energy: 0.5193566245619953
Energy: 0.47020420125172474
Energy: 0.47271367145704
Energy: 0.47179434112831575
Energy: 0.4701751136378073
Energy: 0.47242729546517964
Energy: 0.4458637135466858
Energy: 0.434866608630571
Energy: 0.4731980005013413
Energy: 0.44594948496073133
Energy: 0.4445242590736886
Energy: 0.4729359235585725
Energy: 0.4824056480677386
Energy: 0.4459778650866236
Energy: 0.48323124155953806
Energy: 0.4816167247049382
Energy: 0.48210324279183747
Energy: 0.518878218326145
Energy: 0.45853130454797947
Energy: 0.45842135521430405
Energy: 0.5205117364842435
Energy: 0.45914086052562225
Energy: 0.4586740803578966
Energy: 0.5212503365077771
Energy: 0.4556790394761769
Energy: 0.44587626124992824
Energy: 0.5194928249683115
Energy: 0.4539748716705028
Energy: 0.460580318502564
Energy: 0.603708785434622
Energy: 0.47294731280385055
Energy: 0.47271488362224884
Energy: 0.4419853921858193
Energy: 0.4727942543504356
Energy: 0.47241183548257193
Energy: 0.6614489829572067
Energy: 0.48368080714475026
Energy: 0.4527019053974928
Energy: 0.42644821917245307
Energy: 0.48364279543364075
Energy: 0.4526321862176937

minimum gb energy = 0.42644821917245307 eV
minimum distance =  2.69388592295744 Angstroms
sigma value = 19


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

Energy: 0.5387291967263785
Energy: 0.4139495255278162
Energy: 0.4942642170023134
Energy: 0.4942098822218994
Energy: 0.41386219142200875
Energy: 0.4957253029664914
Energy: 0.4719092326462139
Energy: 0.4136213407739064
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Energy: 0.41376326887677445
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Energy: 0.5910016303159186
Energy: 0.41390984870328396
Energy: 0.41392607723589764
Energy: 0.37366152658014196
Energy: 0.41386198521272055
Energy: 0.4139063045233638
Energy: 0.4723898506204875
Energy: 0.3952917547814349
Energy: 0.3955298332565873
Energy: 0.45550644267603246
Energy: 0.39540383478778185
Energy: 0.3953566099467469
Energy: 0.5923896185273153
Energy: 0.41056590631514167
Energy: 0.4103482994786342
Energy: 0.41042564465719045
Energy: 0.4107781999577454
Energy: 0.4300722569685428
Energy: 0.4718593423019477
Energy: 0.4015312099631048
Energy: 0.3882125289868979
Energy: 0.41031910116916237
Energy: 0.40130994939392944
Energy: 0.4100578536248443
Energy: 0.47165257954692946
Energy: 0.3880291751383227
Energy: 0.41054955703476503
Energy: 0.41024752048435636
Energy: 0.36480671944903803
Energy: 0.41073193308745654
Energy: 0.4757882083181675
Energy: 0.36019645336651335
Energy: 0.3602177346092597
Energy: 0.395180077715785
Energy: 0.36020903333258786
Energy: 0.3601311368245534
Energy: 0.4139515193062937
Energy: 0.36017444410057287
Energy: 0.36016458706807686
Energy: 0.413954133860025
Energy: 0.3600238277642227
Energy: 0.3599887436887604
Energy: 0.4139226810573846
Energy: 0.3954770605679006
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Energy: 0.3734088490614707
Energy: 0.4138105547417536
Energy: 0.4141858646864049
Energy: 0.4552642968173978
Energy: 0.45666797914489465
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Energy: 0.47178772942029545
Energy: 0.4297729327263688
Energy: 0.4103363229436738
Energy: 0.4101016256830896
Energy: 0.4102046124258339
Energy: 0.3952282655541916
Energy: 0.40128925810791083
Energy: 0.38779383463089534
Energy: 0.4363722306121723
Energy: 0.40303489426823447
Energy: 0.4110409513072436
Energy: 0.4570112246521298
Energy: 0.47182290159289175
Energy: 0.45677807746690174
Energy: 0.4101265698753126
Energy: 0.41003942645784164
Energy: 0.4568161461934087
Energy: 0.4101761158627792
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Energy: 0.39512629288365764
Energy: 0.39510519089671275
Energy: 0.3602956277818966
Energy: 0.39515881962605215
Energy: 0.360256449992902
Energy: 0.5417846321520887
Energy: 0.4141545879823299
Energy: 0.36006178529811944
Energy: 0.4941455210174342
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Energy: 0.36035225646643393
Energy: 0.5925520412563877
Energy: 0.4137312536127924
Energy: 0.4136499631881514
Energy: 0.3878709152127494
Energy: 0.4139304324774413
Energy: 0.413785477481446
Energy: 0.4704591699232382
Energy: 0.4140096280186179
Energy: 0.4140152707637159
Energy: 0.4555684443895093
Energy: 0.41391053454186855
Energy: 0.4147665659228535
Energy: 0.47040016449218197
Energy: 0.4137830771177807
Energy: 0.41389775391525147
Energy: 0.45567815872657796
Energy: 0.4138006397275608
Energy: 0.3954946803710222
Energy: 0.4718024474091323
Energy: 0.40151345658437176
Energy: 0.41049423004113617
Energy: 0.38777441355848563
Energy: 0.4012767095569274
Energy: 0.4104004069917305
Energy: 0.4717575171969529
Energy: 0.3878675184287141
Energy: 0.410715409521824
Energy: 0.45644037620851413
Energy: 0.41061031934043035
Energy: 0.41026325392940227
Energy: 0.4717552791049794
Energy: 0.3881301086252056
Energy: 0.41018524850245014
Energy: 0.4108811288055165
Energy: 0.3877445032839773
Energy: 0.4105119446483805
Energy: 0.4754123777626616
Energy: 0.49393471292309793
Energy: 0.49402248325123294
Energy: 0.47544010306424317
Energy: 0.49396909911343234
Energy: 0.49428169826821394
Energy: 0.4136234324006825
Energy: 0.37320439552555085
Energy: 0.41420806784270475
Energy: 0.41365928439611316
Energy: 0.36022802125223957
Energy: 0.41373537023472484
Energy: 0.4138267368114579
Energy: 0.3954640155213286
Energy: 0.4138114543886873
Energy: 0.413832083501883
Energy: 0.37368125767495175
Energy: 0.41381712747682103
Energy: 0.47535501940608893
Energy: 0.4560133314935674
Energy: 0.4088531524716563
Energy: 0.475302530803748
Energy: 0.45646046137550167
Energy: 0.3955631465462435
Energy: 0.47176570743065177
Energy: 0.42975875458593815
Energy: 0.43014154707189406
Energy: 0.41075391097222835
Energy: 0.4102278375403838
Energy: 0.4107437133400766
Energy: 0.4012174772889468
Energy: 0.4109076770341991
Energy: 0.4105429054391727
Energy: 0.4012448969599808
Energy: 0.41079666474028664
Energy: 0.3882154511413903
Energy: 0.47185672465130335
Energy: 0.4107911846033603
Energy: 0.41072318597649826
Energy: 0.3647260185947365
Energy: 0.41080378470040846
Energy: 0.4104103637993875
Energy: 0.5443268114225576
Energy: 0.3951481853964563
Energy: 0.36008467618971546
Energy: 0.36006592134656523
Energy: 0.3952565380035328
Energy: 0.360458450426862

minimum gb energy = 0.3599887436887604 eV
minimum distance =  2.72106224920321 Angstroms
sigma value = 27


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

Energy: 0.4744014267963649
Energy: 0.4194374480970951
Energy: 0.4714171911106146
Energy: 0.47452796189729346
Energy: 0.41947172668672394
Energy: 0.47259729068648815
Energy: 0.4906832682414906
Energy: 0.4202933433843352
Energy: 0.4205995796157885
Energy: 0.4311816789219945
Energy: 0.42029584263103104
Energy: 0.41971138649077633
Energy: 0.49039497992973113
Energy: 0.4164675006293222
Energy: 0.416541264457123
Energy: 0.4258365963402437
Energy: 0.4186609450861288
Energy: 0.41666354370132896
Energy: 0.490166063877946
Energy: 0.3974751942951083
Energy: 0.39757076672382624
Energy: 0.440966067953488
Energy: 0.3977394904709386
Energy: 0.3983327509173302
Energy: 0.4907672966102014
Energy: 0.35914993240141935
Energy: 0.3903555921681697
Energy: 0.3978462131750809
Energy: 0.3589005136268271
Energy: 0.39131798117553723
Energy: 0.41644261757618933
Energy: 0.35938201976989986
Energy: 0.4354458545176734
Energy: 0.41645863698071617
Energy: 0.3588190981582334
Energy: 0.35923791138445266
Energy: 0.4212936357367666
Energy: 0.39004834569972907
Energy: 0.40106558976896806
Energy: 0.42006851410407237
Energy: 0.39036643090809664
Energy: 0.4194924265113114
Energy: 0.42074738204089585
Energy: 0.397151286497758
Energy: 0.3971029751630409
Energy: 0.4205544520154934
Energy: 0.396743599467633
Energy: 0.3965071429017729
Energy: 0.43863184618661316
Energy: 0.3977855971306438
Energy: 0.40541516264214733
Energy: 0.4204320359792425
Energy: 0.424999373095329
Energy: 0.4103020013717797
Energy: 0.4407232360985838
Energy: 0.3793495948417974
Energy: 0.37823654994662737
Energy: 0.4363702759275579
Energy: 0.3936674935119577
Energy: 0.40025285221609286
Energy: 0.4380030715851517
Energy: 0.434301315484032
Energy: 0.4365213392111439
Energy: 0.4244506005641153
Energy: 0.4342093705209586
Energy: 0.4345013302566375
Energy: 0.43845624790664656
Energy: 0.3999770893421194
Energy: 0.4001998042273258
Energy: 0.39024621391571646
Energy: 0.40065668579651476
Energy: 0.41022872534892907

minimum gb energy = 0.3588190981582334 eV
minimum distance =  2.6881396853315 Angstroms
sigma value = 9


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

Energy: 0.7633586999504928
Energy: 0.365449356263233
Energy: 0.6059224759121618
Energy: 0.6040945764581919
Energy: 0.3652688421114897
Energy: 0.4176461725831419
Energy: 0.3744616672582985
Energy: 0.36511367059691524
Energy: 0.3653105734961857
Energy: 0.37472236713012896
Energy: 0.3650965001384442
Energy: 0.3534649598571414
Energy: 0.48247801201870755
Energy: 0.3612029608033282
Energy: 0.361310270520059
Energy: 0.3775433674901879
Energy: 0.36166483009041583
Energy: 0.3495252797315527
Energy: 0.48111564922274946
Energy: 0.34825162480466154
Energy: 0.3685679021668259
Energy: 0.3762445784469901
Energy: 0.4167176633800509
Energy: 0.397764768049239
Energy: 0.4048583676217371
Energy: 0.3660193227809193
Energy: 0.3906810496088717
Energy: 0.3769846606329384
Energy: 0.37052321137666466
Energy: 0.39941673199181665
Energy: 0.37888171381303815
Energy: 0.4099696123121701
Energy: 0.34075190807564476
Energy: 0.37895710692466367
Energy: 0.365242978002263
Energy: 0.37964150300321914
Energy: 0.37771997137251917
Energy: 0.3430576721227959
Energy: 0.3772554922333491
Energy: 0.37835035473491746
Energy: 0.3608055151154337
Energy: 0.3776761144248862
Energy: 0.37497805225461717
Energy: 0.396542780640367
Energy: 0.35571824978236066
Energy: 0.3748990999877865
Energy: 0.3777870601163883
Energy: 0.3748670185174159
Energy: 0.37827052747849127
Energy: 0.3681834109561952
Energy: 0.3557213003303192
Energy: 0.3957732114239542
Energy: 0.36937146744061583
Energy: 0.4177248038011003
Energy: 0.5614260485561403
Energy: 0.3748392851647476
Energy: 0.39494340843125203
Energy: 0.3678846786987401
Energy: 0.46949024388115196
Energy: 0.4068636445033153
Energy: 0.5607305220956746
Energy: 0.3753095041508858
Energy: 0.37522331583707635
Energy: 0.366605945068277
Energy: 0.37525314759870526
Energy: 0.4031103193135254
Energy: 0.4192187978147148
Energy: 0.38008143323609206
Energy: 0.38013610962781913
Energy: 0.36732503931708343
Energy: 0.3803243993901396
Energy: 0.3788593988314666
Energy: 0.486645366478477
Energy: 0.3785672152471703
Energy: 0.5507532775086238
Energy: 0.41988101810046524
Energy: 0.37852053690134646
Energy: 0.5527562167406822
Energy: 0.41924047324602476
Energy: 0.37754668628250077
Energy: 0.37736368136927617
Energy: 0.366913015733786
Energy: 0.37760488437042794
Energy: 0.3434099505166099
Energy: 0.36135494162037046
Energy: 0.3917055232948524
Energy: 0.3800394153387257
Energy: 0.3610851657699522
Energy: 0.3923862910288141
Energy: 0.43771512596153633
Energy: 0.36551890779538554
Energy: 0.350793079258927
Energy: 0.3671472032379221
Energy: 0.3660190768336466
Energy: 0.38566396003505865
Energy: 0.3533402190906525
Energy: 0.3655917459940003
Energy: 0.3613340712155894
Energy: 0.37864587759934787
Energy: 0.3656503762253715
Energy: 0.36154682167131874
Energy: 0.3656774147643866
Energy: 0.37627445375486995
Energy: 0.40484619167637315
Energy: 0.3736854455921949
Energy: 0.3657037010072646
Energy: 0.36646242051213485
Energy: 0.4047694231791158
Energy: 0.3749964169757749
Energy: 0.3665256899739429
Energy: 0.35245247543235414
Energy: 0.36902094222058207
Energy: 0.3842455329366771
Energy: 0.36450150242344515
Energy: 0.37509764682708646
Energy: 0.3705803228249107
Energy: 0.3569908781023099
Energy: 0.3689731437929502
Energy: 0.36943696654332325
Energy: 0.35607112495949705
Energy: 0.37383605345212645
Energy: 0.36883274294029855
Energy: 0.36890244719602505
Energy: 0.38861737785936046
Energy: 0.3687771210987363
Energy: 0.35688918747819476
Energy: 0.4002855132016703
Energy: 0.36571729938881936
Energy: 0.37454267325966517
Energy: 0.36560094011143757
Energy: 0.3656217918635559
Energy: 0.4003771947715792
Energy: 0.40902405824793275
Energy: 0.36561028592438816
Energy: 0.3656987107729398
Energy: 0.36967209238632387
Energy: 0.3654772027817555
Energy: 0.3761068516340844
Energy: 0.3738669434869546
Energy: 0.3612947789776201
Energy: 0.3613601989538563
Energy: 0.3784210117838274
Energy: 0.3630133721983069
Energy: 0.36129150357784917
Energy: 0.4792796756541277
Energy: 0.34856357981662384
Energy: 0.43821860567720766
Energy: 0.44470587119623045
Energy: 0.3611696099404428
Energy: 0.4458666765716262
Energy: 0.48838485857077574
Energy: 0.3643300714214341
Energy: 0.364429512870291
Energy: 0.3757573251624202
Energy: 0.3676554094795899
Energy: 0.3777242420512172
Energy: 0.42627134491944596
Energy: 0.49249022329144154
Energy: 0.4951852165547619
Energy: 0.4268375836880583
Energy: 0.4927248199678736
Energy: 0.3793404390005792
Energy: 0.3803676241045774
Energy: 0.3487797582715154
Energy: 0.3821358142596519
Energy: 0.3805707249002755
Energy: 0.36537224142616037
Energy: 0.37752251210742577
Energy: 0.377110852764638
Energy: 0.3677206687947451
Energy: 0.39700165914906255
Energy: 0.37558526332083136
Energy: 0.36961765032820465
Energy: 0.37626881188566885
Energy: 0.37764890908471466
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Energy: 0.35740217446036554
Energy: 0.3665090592185322
Energy: 0.37634155153374294
Energy: 0.4025596147180442
Energy: 0.5613821043515297
Energy: 0.3770517053213785
Energy: 0.4035593306244941
Energy: 0.3670484535441698
Energy: 0.3788368328916644
Energy: 0.35578149424043837
Energy: 0.5616702689545251
Energy: 0.37501534793125746
Energy: 0.37482709416786775
Energy: 0.3694818699998195
Energy: 0.3750207833799337
Energy: 0.40298285687130386
Energy: 0.3776798252782004
Energy: 0.3775412184673368
Energy: 0.3774841371874882
Energy: 0.3912611344443659
Energy: 0.3781108460535676
Energy: 0.37736311348314644
Energy: 0.48290797751438314
Energy: 0.3789102207234901
Energy: 0.37888139547175864
Energy: 0.3671606945226689
Energy: 0.378849450136768
Energy: 0.37432158610485217
Energy: 0.49091083904405136
Energy: 0.3791693559221978
Energy: 0.40462405567175236
Energy: 0.3686424967474374
Energy: 0.37973787775103435
Energy: 0.34252944679943126
Energy: 0.3776397266800524
Energy: 0.38276999180684573
Energy: 0.3786711444265751
Energy: 0.4214071018706127
Energy: 0.3831318771041644
Energy: 0.3983740845473063
Energy: 0.36169447305137287
Energy: 0.378312686556943
Energy: 0.3688563271483166
Energy: 0.36113489388990916
Energy: 0.37748715993672394
Energy: 0.34894218949831185
Energy: 0.36511764327068785
Energy: 0.3630680428015044
Energy: 0.37169925485403327
Energy: 0.3651188286903671
Energy: 0.3728083426923274
Energy: 0.3656098738630336
Energy: 0.4335981238460881
Energy: 0.39587854602164274
Energy: 0.3958850608054109
Energy: 0.4333029573414125
Energy: 0.395487093693332
Energy: 0.37908476998212637
Energy: 0.3743793351475289
Energy: 0.3690211219894948
Energy: 0.37149920889483967
Energy: 0.3655102745779391
Energy: 0.3698983424540223
Energy: 0.36555115154649054
Energy: 0.3748101778132511
Energy: 0.35583943139455887
Energy: 0.35550018203317546
Energy: 0.3733463181361976
Energy: 0.3690273157955671
Energy: 0.35630361079337425
Energy: 0.37399599824843355
Energy: 0.3708401532984579
Energy: 0.3695227866851683
Energy: 0.37235551227344815
Energy: 0.3700451273495112
Energy: 0.3688815261095694
Energy: 0.4089335285788839
Energy: 0.36567671271699614
Energy: 0.36565257214766805
Energy: 0.3690496446362661
Energy: 0.3655156590802637
Energy: 0.3728416743437582

minimum gb energy = 0.34075190807564476 eV
minimum distance =  2.63619425307554 Angstroms
sigma value = 57


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

Energy: 0.2524078550244405
Energy: 0.28490704181827137
Energy: 0.16160053498867868
Energy: 0.14661763250188148
Energy: 0.2970460765956731
Energy: 0.23328027551451397
Energy: 0.36462817408317655
Energy: 0.3228027489265357
Energy: 0.3048050404163781
Energy: 0.3078602065844124
Energy: 0.30936022254017664
Energy: 0.3488766383024332
Energy: 0.3624715901041621
Energy: 0.3417418659549078
Energy: 0.341337709990352
Energy: 0.34804987294885076
Energy: 0.3425984744982459
Energy: 0.36536716597175023
Energy: 0.3557274276535744
Energy: 0.33098006856729584
Energy: 0.33441299172575367
Energy: 0.31635896899433913
Energy: 0.33458647687212256
Energy: 0.3405754058214925
Energy: 0.34922445100854865
Energy: 0.19996921433961426
Energy: 0.19714127929380196
Energy: 0.35224451577994936
Energy: 0.145209291213683
Energy: 0.34917154212969476
Energy: 0.3259815550320673
Energy: 0.19838419448135994
Energy: 0.19870007301375664
Energy: 0.30707428992007685
Energy: 0.14513816766252877
Energy: 0.16090592291351008
Energy: 0.3248905221581093
Energy: 0.3072511477644861
Energy: 0.30673020648433574
Energy: 0.32552613615464787
Energy: 0.29628305962321333
Energy: 0.34004957950771914
Energy: 0.34355324815373883
Energy: 0.3458254859574406
Energy: 0.34041775316408684
Energy: 0.3425827781564534
Energy: 0.34113935248371025
Energy: 0.34224203463328284
Energy: 0.369105690709812
Energy: 0.3362663801482217
Energy: 0.3429536292818648
Energy: 0.3230892229356833
Energy: 0.34469286237403807
Energy: 0.342431429260638
Energy: 0.14516214545830047
Energy: 0.32900106727760126
Energy: 0.16135653770643982
Energy: 0.14512327292947463
Energy: 0.3264990834762971
Energy: 0.14573726485080307
Energy: 0.14510133764680994
Energy: 0.3093564062077386
Energy: 0.3091441514668273
Energy: 0.14516827055901615
Energy: 0.3310658731232057
Energy: 0.16305954292761077
Energy: 0.3685425739485994
Energy: 0.3362087575537102
Energy: 0.33043310071328436
Energy: 0.30756892060599805
Energy: 0.33454065140580924
Energy: 0.3345100813784872
Energy: 0.36956353026283684
Energy: 0.3258309735169914
Energy: 0.3237358547978083
Energy: 0.37326708862919245
Energy: 0.35945408557746106
Energy: 0.36657694214314274
Energy: 0.35138551809276075
Energy: 0.3129169156363963
Energy: 0.3111598711897648
Energy: 0.3519888814161968
Energy: 0.3242092745852874
Energy: 0.32333951209250367
Energy: 0.35164279615082306
Energy: 0.1451351935389418
Energy: 0.14521018254527632
Energy: 0.36347373699445
Energy: 0.20117582167642212
Energy: 0.19870749799977833
Energy: 0.3259909367323148
Energy: 0.3151079096849302
Energy: 0.33677376053617847
Energy: 0.32643015350819693
Energy: 0.1983965728669601
Energy: 0.3519343558529136
Energy: 0.3290118425076668
Energy: 0.3184780246227703
Energy: 0.33851011236229306
Energy: 0.34498249798783404
Energy: 0.3445762007405123
Energy: 0.3311338216441548
Energy: 0.3625098175035387
Energy: 0.37563184813612877
Energy: 0.3071598658633193
Energy: 0.3574208613656892
Energy: 0.34203232292267177
Energy: 0.3319922893221539
Energy: 0.25257396162760215
Energy: 0.3277635406286514
Energy: 0.29657303779243227
Energy: 0.14521374013741378
Energy: 0.3288511685418973
Energy: 0.2967438955825325

minimum gb energy = 0.14510133764680994 eV
minimum distance =  2.69616768247055 Angstroms
sigma value = 11


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

Energy: 0.5966167314103835
Energy: 0.461491723232879
Energy: 0.4040902488494179
Energy: 0.47807214372864776
Energy: 0.3247023937210737
Energy: 0.404337702312534
Energy: 0.3197258143478521
Energy: 0.3244562610511042
Energy: 0.35249457731387884
Energy: 0.32651159823725046
Energy: 0.3218625762202821
Energy: 0.3551888831134104
Energy: 0.3187052240029573
Energy: 0.3167848630762839
Energy: 0.32847134401578354
Energy: 0.31968731051600724
Energy: 0.3291277229654373
Energy: 0.3209874716229679
Energy: 0.31783850448134787
Energy: 0.3348632930327677
Energy: 0.35865008810523086
Energy: 0.3186738913940917
Energy: 0.32176669531232877
Energy: 0.3190387093536394
Energy: 0.3204449999523555
Energy: 0.34127127518088995
Energy: 0.3267600288786542
Energy: 0.32047572446325456
Energy: 0.35410167027696965
Energy: 0.3494081862591266
Energy: 0.4177747978171393
Energy: 0.35910577293425433
Energy: 0.41607697402660865
Energy: 0.41861521985968786
Energy: 0.4022948717104581
Energy: 0.31770314827362545
Energy: 0.3999790301168632
Energy: 0.32734618987430775
Energy: 0.32516145418249975
Energy: 0.32028196096142353
Energy: 0.33159962175667296
Energy: 0.35571632753689103
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Energy: 0.3337338029695995
Energy: 0.33305240998623487
Energy: 0.3395107514436266
Energy: 0.33290693909613445
Energy: 0.35961124140528117
Energy: 0.4164998083505665
Energy: 0.328716289543331
Energy: 0.3554368756643259
Energy: 0.3585715964763539
Energy: 0.3303278652685296
Energy: 0.34165815786868303
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Energy: 0.3509700232338301
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Energy: 0.35097145875285735
Energy: 0.33509745265443175
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Energy: 0.3289343215483413
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Energy: 0.35497906297301346
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Energy: 0.31264219883692096
Energy: 0.33519285786749814
Energy: 0.35811654526796205
Energy: 0.3249172952221601
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Energy: 0.3564997978262403
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Energy: 0.3465250958127149
Energy: 0.35498136207507974
Energy: 0.4357190042657843
Energy: 0.37187474394239867
Energy: 0.3549543887478757
Energy: 0.4565292357325733
Energy: 0.35470717105142585
Energy: 0.5198415227926992
Energy: 0.3584489236550392
Energy: 0.3296710910207971
Energy: 0.35867473348191303
Energy: 0.35616023708211175
Energy: 0.32475570445699187
Energy: 0.46824658228366023
Energy: 0.41544950778697887
Energy: 0.35547021304104376
Energy: 0.43865931523336565
Energy: 0.47397958833022813
Energy: 0.35577014423688114
Energy: 0.5434559497841011
Energy: 0.36794904430780834
Energy: 0.32393906306928943
Energy: 0.35299229052516995
Energy: 0.35481235870719185
Energy: 0.32561138741773193
Energy: 0.5040957655074687
Energy: 0.3535095334683368
Energy: 0.3303027005725255
Energy: 0.3262282293330989
Energy: 0.35638491469746675
Energy: 0.33884968097573165
Energy: 0.40228179095520383
Energy: 0.41382342910507247
Energy: 0.37006004558516165
Energy: 0.38790243519678475
Energy: 0.36524508402325173
Energy: 0.3624802833027365
Energy: 0.5205183502988283
Energy: 0.3588681911727808
Energy: 0.3223499467147201
Energy: 0.33099385744859033
Energy: 0.3573456963286009
Energy: 0.335719140921577
Energy: 0.3305574044760048
Energy: 0.42418583908246277
Energy: 0.42400539058866515
Energy: 0.33095857099351483
Energy: 0.42418723706604977
Energy: 0.35202501386409
Energy: 0.33083433395461387
Energy: 0.33322830136200776
Energy: 0.328760617014188
Energy: 0.33091767893867585
Energy: 0.3335382086544498
Energy: 0.3502138138245657
Energy: 0.33151209404622695
Energy: 0.396251114523391
Energy: 0.32075830523456766
Energy: 0.3324026564436961
Energy: 0.32418676757895903
Energy: 0.332263635748154
Energy: 0.33354853462764855
Energy: 0.3198734836949267
Energy: 0.3307740397650915
Energy: 0.33370224051853636
Energy: 0.32525731283371956
Energy: 0.3501658759042683
Energy: 0.5426694702639668
Energy: 0.3466990090875079
Energy: 0.3439140144285934
Energy: 0.3589995789086745
Energy: 0.3208606763424294
Energy: 0.33544271832641925

minimum gb energy = 0.30852601420394954 eV
minimum distance =  2.62501329895074 Angstroms
sigma value = 41


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

Energy: 0.6447557541283019
Energy: 0.35695614328704356
Energy: 0.451383117450619
Energy: 0.4315188656161448
Energy: 0.3564074151931819
Energy: 0.4317508943486118
Energy: 0.35705978745130706
Energy: 0.35593385449286835
Energy: 0.35408902547121013
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Energy: 0.3674007381830102
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Energy: 0.3594451020603805
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Energy: 0.38528741369365516
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Energy: 0.47973595336553065
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Energy: 0.35497563801051246
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Energy: 0.3957710515659817
Energy: 0.4805643154416148
Energy: 0.3525659844772332
Energy: 0.3524150297618245
Energy: 0.3626992805372913
Energy: 0.3635263716873822
Energy: 0.3518037719213574
Energy: 0.37733881052794416
Energy: 0.3815552884327881
Energy: 0.38120002834249794
Energy: 0.3779414783763709
Energy: 0.3848811466249652
Energy: 0.3564198276882
Energy: 0.48010147275178655
Energy: 0.35147519841495456
Energy: 0.3610262392059822
Energy: 0.3648725323031035
Energy: 0.36443793478064573
Energy: 0.363133056300422
Energy: 0.4752127203632553
Energy: 0.3590089984293897
Energy: 0.35998278012230095
Energy: 0.41951598541293883
Energy: 0.35909922940976735
Energy: 0.36520937715951046
Energy: 0.47661007309839093
Energy: 0.36934067809040033
Energy: 0.36496008821348924
Energy: 0.36016981801572273
Energy: 0.35930443513794014
Energy: 0.36613798862156205
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Energy: 0.35955908563136013
Energy: 0.37055073861568244
Energy: 0.4148941561585802
Energy: 0.3316194237062247
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Energy: 0.36423712427563926
Energy: 0.3595245507741188
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Energy: 0.38193091614689006
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Energy: 0.32831420970574393
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Energy: 0.3545169733607724
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Energy: 0.3558454937118153
Energy: 0.4220837250228228
Energy: 0.41321234765474724
Energy: 0.41307468091007987
Energy: 0.4227420440477564
Energy: 0.41314482627045673
Energy: 0.4133209620353546
Energy: 0.4815481956514673
Energy: 0.3534418862428261
Energy: 0.3546595263699305
Energy: 0.3611833429062414
Energy: 0.3537283976237918
Energy: 0.35523680797557794
Energy: 0.3775499685086865
Energy: 0.38248000220642214
Energy: 0.3961521411293708
Energy: 0.37763896137323844
Energy: 0.3821778165504373
Energy: 0.3563416716970967
Energy: 0.4809010230754151
Energy: 0.35156878613387
Energy: 0.3510411117004829
Energy: 0.3612339125816546
Energy: 0.3652317990073158
Energy: 0.3717008374978446
Energy: 0.4749396380906684
Energy: 0.359076540809208
Energy: 0.3695826293566931
Energy: 0.3599303797484968
Energy: 0.35962159603861
Energy: 0.36578473693654007
Energy: 0.47494836695788206
Energy: 0.35890019245229615
Energy: 0.3660362073367314
Energy: 0.4197422510000344
Energy: 0.4149559075656804
Energy: 0.36533824186826563
Energy: 0.5947742872807723
Energy: 0.3510532928171968
Energy: 0.36255017607809886
Energy: 0.36447841392052477
Energy: 0.3326081926600479
Energy: 0.36501472858142714
Energy: 0.36080370102729536
Energy: 0.44180222517958845
Energy: 0.42895828490118415
Energy: 0.3599882987333032
Energy: 0.45489376997355024
Energy: 0.4285379801629004
Energy: 0.3637901865946376
Energy: 0.3658137641705057
Energy: 0.3681855000064952
Energy: 0.3636741107494585
Energy: 0.36477916064496974
Energy: 0.36303068527561466
Energy: 0.3797551542050224
Energy: 0.41895478997726454
Energy: 0.3804917985859025
Energy: 0.38100109576633606
Energy: 0.4220887554828497
Energy: 0.38053988816576695
Energy: 0.4715615226712156
Energy: 0.3605079960029558
Energy: 0.3549147342396163
Energy: 0.35440049268986545
Energy: 0.361441755010137
Energy: 0.3517667139959
Energy: 0.5724772658751359
Energy: 0.38185691557464585
Energy: 0.36025421759898685
Energy: 0.3306400166190939
Energy: 0.35554993024113823
Energy: 0.3616165740842601

minimum gb energy = 0.32831420970574393 eV
minimum distance =  2.65763915970274 Angstroms
sigma value = 33


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

Energy: 0.4745538529368993
Energy: 0.6919370146857269
Energy: 0.5239750543858341
Energy: 0.464352051449201
Energy: 0.6897468136004833
Energy: 0.5237038286355044
Energy: 0.393664656664426
Energy: 0.3938674229316856
Energy: 0.3733897788270539
Energy: 0.3802591663217876
Energy: 0.394969834465085
Energy: 0.38244159725284416
Energy: 0.3945591401712428
Energy: 0.4023260970740994
Energy: 0.369232231928499
Energy: 0.3926637341083469
Energy: 0.40176678212213207
Energy: 0.3669139910503438
Energy: 0.3932089393682829
Energy: 0.38481255201282594
Energy: 0.3693227967391862
Energy: 0.39406230500801886
Energy: 0.37015797047751875
Energy: 0.36985856286014424
Energy: 0.39310869681344274
Energy: 0.3677273923496998
Energy: 0.3825831962345046
Energy: 0.3930296253011585
Energy: 0.3938814556162854
Energy: 0.41679992116575565
Energy: 0.49252758116162104
Energy: 0.36973152866551856
Energy: 0.4600161699364166
Energy: 0.40959018679839654
Energy: 0.41334905218428675
Energy: 0.43935051244737716
Energy: 0.42570807189421533
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Energy: 0.38138839557212867
Energy: 0.3942832273591137
Energy: 0.38972774002839605
Energy: 0.3825398892736651
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Energy: 0.36537747976879886
Energy: 0.36051533583622886
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Energy: 0.38154122612360164
Energy: 0.4247523831444655
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Energy: 0.38411027584576457
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Energy: 0.3551409518300812
Energy: 0.36634328104979214
Energy: 0.3980555003141821
Energy: 0.3964069532472749
Energy: 0.3668243520787267
Energy: 0.3978305198762484
Energy: 0.39488504510639383
Energy: 0.43955865500024155
Energy: 0.3725522279668091
Energy: 0.3716841370542123
Energy: 0.440331928293453
Energy: 0.37158706039020034
Energy: 0.44123967965397
Energy: 0.5160005142634658
Energy: 0.3943674706439364
Energy: 0.3827772655438058
Energy: 0.38411288358216794
Energy: 0.3952367524551304
Energy: 0.38213670352624507
Energy: 0.6654660726346724
Energy: 0.48384360245182917
Energy: 0.35539225170691485
Energy: 0.35399439399866556
Energy: 0.4845183970738492
Energy: 0.35405802371300893

minimum gb energy = 0.3535298934649507 eV
minimum distance =  2.70934953223465 Angstroms
sigma value = 67


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

Energy: 0.5477303244388175
Energy: 0.4149811131506991
Energy: 0.3570174138534904
Energy: 0.3582997687527056
Energy: 0.41188903918125747
Energy: 0.34983022297802957
Energy: 0.45069502747024726
Energy: 0.3371215589537852
Energy: 0.3370649853073575
Energy: 0.33663897103364476
Energy: 0.3960163077261515
Energy: 0.33706327026518407
Energy: 0.41864768061475666
Energy: 0.3559509746748048
Energy: 0.373554824978956
Energy: 0.3735835647528065
Energy: 0.3561261852829413
Energy: 0.37096843385138595
Energy: 0.39567717437100003
Energy: 0.3365991386495733
Energy: 0.33684548221682803
Energy: 0.39577369229390846
Energy: 0.3365494468910348
Energy: 0.33671634425665964
Energy: 0.3984466697301138
Energy: 0.3368286459734381
Energy: 0.33664577958373537
Energy: 0.3984687661232621
Energy: 0.33672174432611546
Energy: 0.39812168713107043
Energy: 0.4156942434558578
Energy: 0.36088935047467924
Energy: 0.41570177422745
Energy: 0.416040070081547
Energy: 0.3598167106131036
Energy: 0.4156438269289652
Energy: 0.46769329892794953
Energy: 0.33732391083231567
Energy: 0.3376896617780556
Energy: 0.4093622231375807
Energy: 0.3970423418766044
Energy: 0.33788069853787095

minimum gb energy = 0.3365494468910348 eV
minimum distance =  2.74792618517677 Angstroms
sigma value = 3


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

Energy: 0.7572492544516802
Energy: 0.5238719860001778
Energy: 0.47724846649398245
Energy: 0.42617924568650667
Energy: 0.5246873444555786
Energy: 0.49161394749523046
Energy: 0.41640587631127346
Energy: 0.4448110115316933
Energy: 0.4334000913252902
Energy: 0.43468865201544005
Energy: 0.4363112686758401
Energy: 0.43077953032017613
Energy: 0.4927797823933207
Energy: 0.40867747280850636
Energy: 0.4035539882981833
Energy: 0.46907458185390133
Energy: 0.4375500662073041
Energy: 0.42899341497857757
Energy: 0.42214562980358317
Energy: 0.40099156068132674
Energy: 0.41829305477680573
Energy: 0.4229340187138809
Energy: 0.4367920570140191
Energy: 0.4164122186110476
Energy: 0.4204467439294451
Energy: 0.44049417798498536
Energy: 0.44036990221156175
Energy: 0.42151244093641643
Energy: 0.46510363512175895
Energy: 0.4168986583695471
Energy: 0.47503619093903615
Energy: 0.46292252330762507
Energy: 0.4652609578496336
Energy: 0.476621844185802
Energy: 0.46903910526982934
Energy: 0.46688067064786504
Energy: 0.4233753849239273
Energy: 0.47198077810936895
Energy: 0.4673350870118956
Energy: 0.4620401250948274
Energy: 0.45937100081273774
Energy: 0.46530726138354167
Energy: 0.46138971392128847
Energy: 0.4627556022724521
Energy: 0.4637939852249754
Energy: 0.4094263481134411
Energy: 0.4866272475528102
Energy: 0.4625648513571219
Energy: 0.42370468798199495
Energy: 0.47457516231293695
Energy: 0.4584276742224615
Energy: 0.46237390524954236
Energy: 0.45947795156408944
Energy: 0.458289166999801
Energy: 0.5060206202543033
Energy: 0.4169308609038612
Energy: 0.41694624708911376
Energy: 0.49176557711063806
Energy: 0.41709631705614275
Energy: 0.4527561923883533
Energy: 0.473085989804163
Energy: 0.4550701755090481
Energy: 0.45528759745435926
Energy: 0.47401641447929743
Energy: 0.44301294888249887
Energy: 0.48083807365333153
Energy: 0.47539220373146807
Energy: 0.46816808570994345
Energy: 0.45876924962249765
Energy: 0.4753691164007625
Energy: 0.4177537591626309
Energy: 0.4641768519195496
Energy: 0.46565397899299865
Energy: 0.4488566959607281
Energy: 0.4476395754362584
Energy: 0.4718320385038811
Energy: 0.4156731356766816
Energy: 0.4483047522170366
Energy: 0.4783176903593862
Energy: 0.4209285015235882
Energy: 0.41552235253710956
Energy: 0.46150690174414727
Energy: 0.41973912656223317
Energy: 0.4158257250641951
Energy: 0.4658119179639994
Energy: 0.41907084190454197
Energy: 0.4174365181283012
Energy: 0.45570145951704266
Energy: 0.4173927303865861
Energy: 0.42036427973028245
Energy: 0.4824626436026485
Energy: 0.4321529679263993
Energy: 0.43965664978281604
Energy: 0.4805055662565499
Energy: 0.4437054945303849
Energy: 0.4356456771653878
Energy: 0.5424194377839842
Energy: 0.436232050140136
Energy: 0.4431374642931107
Energy: 0.5429964760023576
Energy: 0.4386588713477676
Energy: 0.49692860399071465
Energy: 0.4512690495894746
Energy: 0.4614092309734287
Energy: 0.44347383277442526
Energy: 0.4599768713605955
Energy: 0.4490338824979005
Energy: 0.4407789131544595
Energy: 0.45070516597282956
Energy: 0.48316505729159
Energy: 0.4455656592442608
Energy: 0.47419489940637594
Energy: 0.49085222529264616
Energy: 0.41623064695800277
Energy: 0.46392496624224444
Energy: 0.4397261594856091
Energy: 0.44221630404049533
Energy: 0.4184198039823802
Energy: 0.44626856209506405
Energy: 0.4166333440966959
Energy: 0.45883947002499736
Energy: 0.44674309145293223
Energy: 0.4471056175420136
Energy: 0.4653821310919803
Energy: 0.4418857131632439
Energy: 0.4522897356654684
Energy: 0.44712756144950444
Energy: 0.4876283271817569
Energy: 0.4772334041936354
Energy: 0.4740602410629737
Energy: 0.4890022782468651
Energy: 0.47966605508801186
Energy: 0.4447150688908818
Energy: 0.4599387859333692
Energy: 0.4436206076534348
Energy: 0.445825804822192
Energy: 0.46639964725388655
Energy: 0.4463171473948729
Energy: 0.44816724348101045
Energy: 0.40992897767077835
Energy: 0.44548150012329363
Energy: 0.4523657465577221
Energy: 0.4100795105981343
Energy: 0.44902819085776285
Energy: 0.4198555868402759
Energy: 0.44339832280317026
Energy: 0.44372982029035535
Energy: 0.47383450348730727
Energy: 0.46022061252091645
Energy: 0.4474495555187478
Energy: 0.5500328224696804
Energy: 0.5170547123747429
Energy: 0.4577096406393939
Energy: 0.43866454449686115
Energy: 0.5590773149298647
Energy: 0.4381472242526756
Energy: 0.404119901401234
Energy: 0.5341225274179383
Energy: 0.45771036651763847
Energy: 0.43851971567423687
Energy: 0.48340983588962827
Energy: 0.4382603020593471
Energy: 0.42017558194627236
Energy: 0.4432114411351383
Energy: 0.44368483507256107
Energy: 0.45403737821804396
Energy: 0.4663099112131799
Energy: 0.44321925032322257
Energy: 0.4247050661105348
Energy: 0.40346690622271963
Energy: 0.4082333067199829
Energy: 0.42459040010325083
Energy: 0.408232408437116
Energy: 0.4231934896839466
Energy: 0.4186297730039814
Energy: 0.42314104134872255
Energy: 0.4200281593191279
Energy: 0.41973939444294645
Energy: 0.46672454169686106
Energy: 0.41929736351519253
Energy: 0.4709541727702
Energy: 0.45794861674149523
Energy: 0.445482962065535
Energy: 0.4707783411934711
Energy: 0.4582341617589548
Energy: 0.44266064192661636
Energy: 0.42937222035726264
Energy: 0.4667302693193715
Energy: 0.46302111056195566
Energy: 0.44680382439903354
Energy: 0.4551983702319113
Energy: 0.4659803686614404
Energy: 0.5156811977632815
Energy: 0.4953569803597415
Energy: 0.4951707243233793
Energy: 0.419544232856478
Energy: 0.4972235411689163
Energy: 0.43541579967684907
Energy: 0.433493017180954
Energy: 0.5010806500803305
Energy: 0.47759180088479336
Energy: 0.4624034443710303
Energy: 0.5048664235402047
Energy: 0.46185703812120366
Energy: 0.4294080977107267
Energy: 0.4552931136203565
Energy: 0.45513871686972995
Energy: 0.44708395660810957
Energy: 0.45764123276303315
Energy: 0.4729081423161422
Energy: 0.5020376331363353
Energy: 0.4168125986332857
Energy: 0.4167295178344823
Energy: 0.5004747628899194
Energy: 0.41719485153579516
Energy: 0.46652625278201415
Energy: 0.48173199190195837
Energy: 0.4600771380709124
Energy: 0.4529341589025105
Energy: 0.48273889560957495
Energy: 0.4651935210166094
Energy: 0.4596962484770447
Energy: 0.539483331169048
Energy: 0.44808923111243953
Energy: 0.4479579585582098
Energy: 0.4655134084168423
Energy: 0.44829461959238304
Energy: 0.44783537806622276
Energy: 0.4723581232651387
Energy: 0.41852053582808885
Energy: 0.41537596428860635
Energy: 0.46664111548901366
Energy: 0.41840872010490054
Energy: 0.4154569747347694
Energy: 0.46533641104888396
Energy: 0.41898284591906115
Energy: 0.41832374564575425
Energy: 0.45361308757423413
Energy: 0.41733672723693205
Energy: 0.41755347511172275
Energy: 0.4765528224493795
Energy: 0.44355469437254363
Energy: 0.4282419149773245
Energy: 0.48838739698891975
Energy: 0.4853564266497409
Energy: 0.4284586045264717
Energy: 0.5234157819262143
Energy: 0.4595109318691955
Energy: 0.4628202161347712
Energy: 0.5400668676321244
Energy: 0.43492362915916516
Energy: 0.46641395467251995
Energy: 0.5376965165191313
Energy: 0.43552911872116357
Energy: 0.44207943124219745
Energy: 0.5258005341435403
Energy: 0.4354993219863208
Energy: 0.487423538832407
Energy: 0.44892532051868644
Energy: 0.44556268972815694
Energy: 0.43939452151881847
Energy: 0.4591525585678889
Energy: 0.44484521806707444
Energy: 0.4332984395269812
Energy: 0.6403980267666382
Energy: 0.44782740642439645
Energy: 0.4383391079561632
Energy: 0.4441741189338076
Energy: 0.44786438637581694
Energy: 0.43943805749339204
Energy: 0.44953527763280116
Energy: 0.44433725831728993
Energy: 0.4463861405348189
Energy: 0.45709303427849957
Energy: 0.4439043722808403
Energy: 0.4255411574324283
Energy: 0.5078476673695804
Energy: 0.48158221819481567
Energy: 0.4823339225799471
Energy: 0.4845146269909173
Energy: 0.48200669612985364
Energy: 0.4810290894832383
Energy: 0.44512781116799016
Energy: 0.47669626044291186
Energy: 0.48004389401410236
Energy: 0.44630221403769227
Energy: 0.4701303430532221
Energy: 0.4753709872279987
Energy: 0.4520888886713324
Energy: 0.40893706331933816
Energy: 0.4393002372180844
Energy: 0.4515531969024187
Energy: 0.419274039874899
Energy: 0.4391999471493414
Energy: 0.48526340591169836
Energy: 0.41967841670158007
Energy: 0.4199789401982594
Energy: 0.4651778258715098
Energy: 0.4194170665893855
Energy: 0.4404270165988572
Energy: 0.4095245295538785
Energy: 0.46350032104136074
Energy: 0.43139683600423506
Energy: 0.45040266021598097
Energy: 0.43736777126688087
Energy: 0.43079700774068946

minimum gb energy = 0.40099156068132674 eV
minimum distance =  2.62688886828947 Angstroms
sigma value = 81


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

Energy: 0.8149371869999339
Energy: 0.47261518144787457
Energy: 0.4409454237223376
Energy: 0.44017835350846657
Energy: 0.47252872081054526
Energy: 0.44121224515028834
Energy: 0.4128503192229047
Energy: 0.41073204545907727
Energy: 0.4114084324503369
Energy: 0.412560945655681
Energy: 0.4121753802572085
Energy: 0.4334883266403044
Energy: 0.4710284382802994
Energy: 0.46070414911699814
Energy: 0.46180659051788603
Energy: 0.4655220331274955
Energy: 0.4579393222291372
Energy: 0.45713402625112753
Energy: 0.41480327328678945
Energy: 0.46241781526921655
Energy: 0.4527058762917521
Energy: 0.4136186605130375
Energy: 0.4519775931704507
Energy: 0.4135036794416347
Energy: 0.41101501668599943
Energy: 0.4387038172550145
Energy: 0.41716236874960017
Energy: 0.41113457845867857
Energy: 0.422285518373829
Energy: 0.4174076810584741
Energy: 0.47049399317241525
Energy: 0.43824490533071025
Energy: 0.43837426172033617
Energy: 0.5016195996230316
Energy: 0.42023652822761276
Energy: 0.43847172899028536
Energy: 0.42719133156189504
Energy: 0.44624181905735466
Energy: 0.42179661884048214
Energy: 0.40380258888280646
Energy: 0.4142895470920005
Energy: 0.42109767272421994
Energy: 0.40348268464326986
Energy: 0.4982214091241822
Energy: 0.5079293345026972
Energy: 0.41303860876829246
Energy: 0.549797139112042
Energy: 0.42106665123744424
Energy: 0.4282115487294039
Energy: 0.46127193394321886
Energy: 0.4258603830413812
Energy: 0.40380868479478205
Energy: 0.4215121254201538
Energy: 0.4229796940327834
Energy: 0.41904272101792645
Energy: 0.38279366322468394
Energy: 0.3827797260986797
Energy: 0.4107879128777043
Energy: 0.38292477884968396
Energy: 0.38273683836527733
Energy: 0.4060195337935474
Energy: 0.3817876474879609
Energy: 0.38183614177553543
Energy: 0.4059134029350258
Energy: 0.3819437726997371
Energy: 0.4032048023905697
Energy: 0.4152257816844086
Energy: 0.45890110740726653
Energy: 0.4620963007178238
Energy: 0.41048336859457507
Energy: 0.45000392227773117
Energy: 0.46060117840073594
Energy: 0.4148786931828073
Energy: 0.4603818805703714
Energy: 0.4548355222234029
Energy: 0.4527173841674384
Energy: 0.41934495203070166
Energy: 0.46130602232177287
Energy: 0.4060434345984033
Energy: 0.4138367520258914
Energy: 0.4208418288651863
Energy: 0.41661664771410484
Energy: 0.40600612694802646
Energy: 0.42089014296071775
Energy: 0.4206438697003357
Energy: 0.420979390043674
Energy: 0.4620392550069266
Energy: 0.43277683581332443
Energy: 0.4212776117192776
Energy: 0.42204718330145147
Energy: 0.4220320514044038
Energy: 0.43248090082577373
Energy: 0.4268908679856234
Energy: 0.42265872039176516
Energy: 0.435490989391268
Energy: 0.4285882204183698
Energy: 0.4923962906395047
Energy: 0.4168615336626362
Energy: 0.388830677670454
Energy: 0.4929255353479294
Energy: 0.4289588885145261
Energy: 0.42020546645665974
Energy: 0.39473376103157937
Energy: 0.42239088683846937
Energy: 0.4097091469840628
Energy: 0.41382674732651775
Energy: 0.425067943476132
Energy: 0.44101013621610907
Energy: 0.3837920689354721
Energy: 0.42194920161258304
Energy: 0.3821491564570596
Energy: 0.38195623914975657
Energy: 0.47085334655484096
Energy: 0.3820708255509686
Energy: 0.3845139398922738
Energy: 0.4218224899011785
Energy: 0.3823235552257328
Energy: 0.38215569425306295
Energy: 0.4321282087382341
Energy: 0.3823786190536987
Energy: 0.3941215648625082
Energy: 0.4239444932663564
Energy: 0.42222996286213216
Energy: 0.41384001688661487
Energy: 0.42501029567649173
Energy: 0.4419466205383849
Energy: 0.4224278578642488
Energy: 0.46522864603247077
Energy: 0.4668972292656355
Energy: 0.460525030931421
Energy: 0.4635097511261979
Energy: 0.46041252469522936
Energy: 0.42004387640201324
Energy: 0.42763398746652853
Energy: 0.42181636586948296
Energy: 0.4207520363213062
Energy: 0.4224528854178714
Energy: 0.41539561798439745
Energy: 0.40845698563992794
Energy: 0.42426657295637754
Energy: 0.422350593309933
Energy: 0.4227343000278425
Energy: 0.4239726653946415
Energy: 0.4224747303997643
Energy: 0.40529139826988886
Energy: 0.4237252966664477
Energy: 0.42744782747738036
Energy: 0.4180511866094313
Energy: 0.4159233696419085
Energy: 0.42685168959370573
Energy: 0.41647073823116826
Energy: 0.4753639337019085
Energy: 0.4545696579192388
Energy: 0.42200269399642076
Energy: 0.49211914407775464
Energy: 0.4241752815909822
Energy: 0.4172384945483733
Energy: 0.4595740506195044
Energy: 0.4632460708161794
Energy: 0.42044675185706054
Energy: 0.4074915200357085
Energy: 0.4258156896357972
Energy: 0.4623984622389276
Energy: 0.38166971777412606
Energy: 0.4211643108047676
Energy: 0.4603771836262722
Energy: 0.4134053330586433
Energy: 0.40324810916824555
Energy: 0.43791198106267937
Energy: 0.3833059288885506
Energy: 0.3833705246122874
Energy: 0.4390663410648856
Energy: 0.3834804914245939
Energy: 0.38263005331102673
Energy: 0.42588859255879596
Energy: 0.4601879841890022
Energy: 0.42677725034724323
Energy: 0.4035265857719245
Energy: 0.42141308420793216
Energy: 0.4227708195010057
Energy: 0.5023792697053181
Energy: 0.46708641162210396
Energy: 0.4633871356990627
Energy: 0.46065903623549526
Energy: 0.4338322868645961
Energy: 0.4622945101064043
Energy: 0.4265640235868894
Energy: 0.410254037753848
Energy: 0.4091680167090529
Energy: 0.4035409278532374
Energy: 0.41448478905681335
Energy: 0.40923865260679454
Energy: 0.41252355295306586
Energy: 0.4094547906278883
Energy: 0.4094587962223432
Energy: 0.448998433907052
Energy: 0.4092131971658704
Energy: 0.4088642689580086
Energy: 0.41342752041240394
Energy: 0.41188563508097503
Energy: 0.4496101002369643
Energy: 0.41345995952507864
Energy: 0.49496172152937445
Energy: 0.44694774445379015
Energy: 0.4153206360028646
Energy: 0.4240727519063243
Energy: 0.4304876750406897
Energy: 0.4153473758106237
Energy: 0.42148088416256363
Energy: 0.42864030914990736
Energy: 0.48962514118731665
Energy: 0.42843655406696823
Energy: 0.428364652295669
Energy: 0.48942347627505023
Energy: 0.42845574799322117
Energy: 0.4709245083496732
Energy: 0.41362003975420325
Energy: 0.4109284860227227
Energy: 0.41243055904206066
Energy: 0.4126080337066517
Energy: 0.41227131897949454
Energy: 0.4262386354510507
Energy: 0.38846691027005553
Energy: 0.49265629887613094
Energy: 0.4416683731027937
Energy: 0.4120111056029357
Energy: 0.4926453185365317
Energy: 0.44123462648239553

minimum gb energy = 0.38166971777412606 eV
minimum distance =  2.68069371012611 Angstroms
sigma value = 43


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

Energy: 0.8083119003097129
Energy: 0.5159030202945042
Energy: 0.46774351342620546
Energy: 0.4470144347144287
Energy: 0.5157909932819141
Energy: 0.44682344404884405
Energy: 0.4001196276182954
Energy: 0.40049350796525607
Energy: 0.44903912044100086
Energy: 0.4324950954333402
Energy: 0.40061445993653283
Energy: 0.4567921921777256
Energy: 0.47385484488683155
Energy: 0.38433101341684905
Energy: 0.3825264111504728
Energy: 0.4748790270209048
Energy: 0.4119233561840803
Energy: 0.43288773222875393
Energy: 0.40362141579700117
Energy: 0.38217180325059086
Energy: 0.402954774666133
Energy: 0.4031380442825284
Energy: 0.45553416042769596
Energy: 0.40290405246199934
Energy: 0.3997370334762988
Energy: 0.4015034521173345
Energy: 0.4022639879810681
Energy: 0.3997503211125714
Energy: 0.4026138935494872
Energy: 0.4018463660165417
Energy: 0.40040745174964926
Energy: 0.40255997609528543
Energy: 0.40218595045593636
Energy: 0.4837998776671773
Energy: 0.4031432090894475
Energy: 0.4024593262663108
Energy: 0.41827700690648395
Energy: 0.4003136004562616
Energy: 0.40011060566529966
Energy: 0.4183165116846719
Energy: 0.4003739494095756
Energy: 0.3999743653067907
Energy: 0.44871077957565325
Energy: 0.40312270283539403
Energy: 0.40317913240667497
Energy: 0.41032018394806585
Energy: 0.4030247564353407
Energy: 0.4339896685101158
Energy: 0.4172682360660914
Energy: 0.4295777709405277
Energy: 0.42944910363776556
Energy: 0.41697723667132247
Energy: 0.4299510989614168
Energy: 0.4294531575478087
Energy: 0.4731269373421456
Energy: 0.40129375256022376
Energy: 0.4310127292677156
Energy: 0.47286997583843277
Energy: 0.430907681456981
Energy: 0.4459530987856873
Energy: 0.38013766926866677
Energy: 0.452686314701999
Energy: 0.45320470732463997
Energy: 0.40049788256942437
Energy: 0.44883385812854726
Energy: 0.4500439221248784
Energy: 0.4504598130706885
Energy: 0.4296293882050214
Energy: 0.42962341805078114
Energy: 0.4121401504590567
Energy: 0.463520551092606
Energy: 0.4306123818728338
Energy: 0.4504290508695306
Energy: 0.4325414322331565
Energy: 0.42251796600634073
Energy: 0.4115612179737272
Energy: 0.42148376757191885
Energy: 0.42248924182612035
Energy: 0.3801149550100865
Energy: 0.42935716734880147
Energy: 0.45588548367372594
Energy: 0.4007170806900722
Energy: 0.4189636677985312
Energy: 0.44975042161681145
Energy: 0.3802922164702258
Energy: 0.3809325711685489
Energy: 0.38052325651344937
Energy: 0.3805852732474425
Energy: 0.3819773545153076
Energy: 0.3807117360847469
Energy: 0.38004310636942634
Energy: 0.3804901978822004
Energy: 0.37999111110781003
Energy: 0.3808571979915486
Energy: 0.4176917415641192
Energy: 0.38022685435486403
Energy: 0.3801832992895911
Energy: 0.4115783178813692
Energy: 0.38119104775088314
Energy: 0.3802861176129707
Energy: 0.43817309095042695
Energy: 0.38121218048714395
Energy: 0.38032182875013765
Energy: 0.46426267312702024
Energy: 0.4536220830651039
Energy: 0.42291054672945727
Energy: 0.4331190127097982
Energy: 0.4543979096634837
Energy: 0.41755270033014635
Energy: 0.4522831687398969
Energy: 0.4524009815339868
Energy: 0.4487864538327879
Energy: 0.4181365846151028
Energy: 0.43126025845596627
Energy: 0.41733258501134124
Energy: 0.4522981294709379
Energy: 0.4522412733062543
Energy: 0.44891376810016975
Energy: 0.40418854382673286
Energy: 0.4308394294899722
Energy: 0.38040837924533
Energy: 0.453237894965093
Energy: 0.45422814723598504
Energy: 0.4180559486470997
Energy: 0.41810010745395726
Energy: 0.4539809327437049
Energy: 0.4890779495232552
Energy: 0.4213534801013863
Energy: 0.4529570078089214
Energy: 0.4894252261550706
Energy: 0.3817999253213381
Energy: 0.47399631325561054
Energy: 0.4341762172026969
Energy: 0.45363296767398886
Energy: 0.45432799523466133
Energy: 0.434174695482173
Energy: 0.43016076112605284
Energy: 0.4541739968247561
Energy: 0.44649599514214955
Energy: 0.4557652316922052
Energy: 0.452267232700889
Energy: 0.46222393666150674
Energy: 0.38054137663953624
Energy: 0.4107791202181876
Energy: 0.44961897323856315
Energy: 0.38014314026313195
Energy: 0.3800510900309219
Energy: 0.4495975015368919
Energy: 0.3800744053782972
Energy: 0.3801959435882867
Energy: 0.4324394491467744
Energy: 0.38025499120112033
Energy: 0.38052739519856676
Energy: 0.47039641174420177
Energy: 0.38009739454640523
Energy: 0.38073473336659197
Energy: 0.4323182146576742
Energy: 0.4279752831686731
Energy: 0.47373348782978
Energy: 0.4323476153248719
Energy: 0.3803433090402639
Energy: 0.47396640736182005
Energy: 0.4192204612473535
Energy: 0.44996963172963883
Energy: 0.4025027632076067
Energy: 0.41933104833686846
Energy: 0.400632404106343
Energy: 0.4301974522949443
Energy: 0.40345044692128545
Energy: 0.40273709427126475
Energy: 0.4029693730213837
Energy: 0.4031455637880325
Energy: 0.45431081093943704
Energy: 0.43216061075631274
Energy: 0.40010675444879806
Energy: 0.4530458094833525
Energy: 0.4493118518432838
Energy: 0.41781159663782247
Energy: 0.4006718860124223
Energy: 0.42942592877690483
Energy: 0.38137046995298507
Energy: 0.4671024589159787
Energy: 0.46599486578462657
Energy: 0.4215777387141829
Energy: 0.4694617832243871
Energy: 0.440786436268724

minimum gb energy = 0.37999111110781003 eV
minimum distance =  2.63142938707883 Angstroms
sigma value = 57


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

Energy: 0.5773555753346973
Energy: 0.479175609427544
Energy: 0.4633306781382972
Energy: 0.3745075559759312
Energy: 0.47920746690085914
Energy: 0.4597870143576346
Energy: 0.4721299331844643
Energy: 0.39134822070557146
Energy: 0.3908789454151771
Energy: 0.3914233073499931
Energy: 0.3909246239022181
Energy: 0.387557737479864
Energy: 0.40116888001853435
Energy: 0.3438904075809024
Energy: 0.34389697398295455
Energy: 0.41931304290619675
Energy: 0.3439670653965848
Energy: 0.37488007560761744
Energy: 0.3872924419885893
Energy: 0.34397239425692183
Energy: 0.34386652404066453
Energy: 0.38729930809955715
Energy: 0.3453284619106908
Energy: 0.38761497268785644
Energy: 0.38747039826233903
Energy: 0.3602489801952289
Energy: 0.3600307704530128
Energy: 0.38753394793672946
Energy: 0.3600761815703463
Energy: 0.36063808779266404
Energy: 0.3435941642129909
Energy: 0.36018865791737437
Energy: 0.3600654371731329
Energy: 0.3606465743797226
Energy: 0.3885617682112816
Energy: 0.36020103055970537
Energy: 0.3880550688403029
Energy: 0.38802115569352696
Energy: 0.3871730278327038
Energy: 0.38783792707805204
Energy: 0.3895158230177833
Energy: 0.3872361210432768
Energy: 0.38608919161016547
Energy: 0.38834234034277415
Energy: 0.41868541456813085
Energy: 0.3593596194034364
Energy: 0.38754998003078245
Energy: 0.38797373734706797
Energy: 0.39145897412620684
Energy: 0.38865634034822816
Energy: 0.38786527856957975
Energy: 0.3918133711967238
Energy: 0.39149688116373066
Energy: 0.3877196749723135
Energy: 0.4792858732345395
Energy: 0.38644929909886844
Energy: 0.386199754968091
Energy: 0.4795798516795439
Energy: 0.3865954877779528
Energy: 0.3864711491419544
Energy: 0.38834641371704715
Energy: 0.3877828761401054
Energy: 0.3885850047279184
Energy: 0.3910914430941592
Energy: 0.39045681728111997
Energy: 0.38746215959694064
Energy: 0.3440759393199992
Energy: 0.39091410416838457
Energy: 0.3909893671986671
Energy: 0.3450778212680563
Energy: 0.3910765947288672
Energy: 0.4292686035153916
Energy: 0.345338102740872
Energy: 0.3913153659537106
Energy: 0.4296341534901447
Energy: 0.4296797912092462
Energy: 0.39121178354989977
Energy: 0.429643210746986
Energy: 0.38799101527145985
Energy: 0.3912310190137235
Energy: 0.3908862913064677
Energy: 0.3913993103485092
Energy: 0.39207070982454334
Energy: 0.3873955300889932
Energy: 0.3877249918216445
Energy: 0.34439377822449907
Energy: 0.37472208336322077
Energy: 0.38792517293924694
Energy: 0.344744602865403
Energy: 0.37460926500058545
Energy: 0.387382026177986
Energy: 0.36095354044365646
Energy: 0.3605421878469782
Energy: 0.3882978785270182
Energy: 0.3918421963246941
Energy: 0.38722650258595476
Energy: 0.3875307377903242
Energy: 0.3600759973222066
Energy: 0.36002193728348464
Energy: 0.3877340469393347
Energy: 0.3604875398058121
Energy: 0.36007385087573585
Energy: 0.3875626575831292
Energy: 0.38785835900262405
Energy: 0.36112379070101724
Energy: 0.3610062805056441
Energy: 0.3874510054746496
Energy: 0.3617020224984056
Energy: 0.39094714669713404
Energy: 0.38726089300575545
Energy: 0.38732832439305737
Energy: 0.3607788025634272
Energy: 0.38729483826902045
Energy: 0.3877487432549396
Energy: 0.39089845004517937
Energy: 0.38755806624267175
Energy: 0.3877934999971593
Energy: 0.3908749431116587
Energy: 0.39158921885933856
Energy: 0.387649051670408
Energy: 0.3910909319764996
Energy: 0.38825720206995323
Energy: 0.39179282539047516
Energy: 0.3912055511794597
Energy: 0.39207622067334075
Energy: 0.38741470612781126
Energy: 0.47565090916109143
Energy: 0.38770870020466125
Energy: 0.41698059616627053
Energy: 0.4759623283618644
Energy: 0.3875175213669843
Energy: 0.41781572625774177
Energy: 0.38789106590524175
Energy: 0.39118552359535896
Energy: 0.3909576031339659
Energy: 0.3911561082812872
Energy: 0.3921385381188133
Energy: 0.4737252383887026
Energy: 0.3455495580368952
Energy: 0.39128464308129723
Energy: 0.4296868261651145
Energy: 0.42927836114493184
Energy: 0.42574748303746457
Energy: 0.42963000610423646

minimum gb energy = 0.3435941642129909 eV
minimum distance =  2.69495524973575 Angstroms
sigma value = 17


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

Energy: 0.7180047155562221
Energy: 0.4791296683456925
Energy: 0.4996305805372734
Energy: 0.3907896756841014
Energy: 0.5025377120961876
Energy: 0.3907783039467211
Energy: 0.48719852039084366
Energy: 0.4181341412074344
Energy: 0.4172908204385693
Energy: 0.4245472447481103
Energy: 0.41813002465025406
Energy: 0.4173027020072288
Energy: 0.5551213178907918
Energy: 0.36222555435918546
Energy: 0.36227569574259766
Energy: 0.49065038345762046
Energy: 0.36231891710239106
Energy: 0.362461918431559
Energy: 0.41709890533003086
Energy: 0.36245899932160064
Energy: 0.362316581979866
Energy: 0.4171509308838234
Energy: 0.3303141056035183
Energy: 0.41689025222366505
Energy: 0.3543315805268051
Energy: 0.40803067720046104
Energy: 0.40854163803000004
Energy: 0.3548270169579171
Energy: 0.4088629077299249
Energy: 0.4075809446250546
Energy: 0.3624295498141832
Energy: 0.34770982976885295
Energy: 0.347375691627492
Energy: 0.3304768842234019
Energy: 0.34707695447849857
Energy: 0.38930018358067664
Energy: 0.3473686083311026
Energy: 0.34712462507531716
Energy: 0.3469347554530486
Energy: 0.3475223738723436
Energy: 0.34891666210871297
Energy: 0.3472919563180039
Energy: 0.34738512102418867
Energy: 0.36447802652875294
Energy: 0.4011612709064657
Energy: 0.39771204211653927
Energy: 0.3634249815227889
Energy: 0.3980287861732967
Energy: 0.3483085219578966
Energy: 0.3922449830268718
Energy: 0.39206972695764236
Energy: 0.3488365985495445
Energy: 0.4178017864634721
Energy: 0.3470361823226062
Energy: 0.3468208137704847
Energy: 0.3478890587684885
Energy: 0.3475759745226041
Energy: 0.34686781232318703
Energy: 0.3479043546480389
Energy: 0.3474153101826701
Energy: 0.4342351942443162
Energy: 0.3806200199225823
Energy: 0.34763198515285093
Energy: 0.4092314689034838
Energy: 0.35480542991165215
Energy: 0.4082258145349384
Energy: 0.4162988249273864
Energy: 0.41707537883468304
Energy: 0.4169924650524636
Energy: 0.4162678642695199
Energy: 0.41762193818299786
Energy: 0.4169362791915334
Energy: 0.35402714139265284
Energy: 0.41737109733952504
Energy: 0.417468285152625
Energy: 0.37956276126965116
Energy: 0.4175421182483948
Energy: 0.41751819968763704
Energy: 0.4338250048299476
Energy: 0.4172080267788212
Energy: 0.41718153578504824
Energy: 0.35453754225175566
Energy: 0.4173907883792733
Energy: 0.4089596285991478
Energy: 0.48381106144390507
Energy: 0.43580150941574236
Energy: 0.43585055893226254
Energy: 0.4840341974061385
Energy: 0.416835926654699
Energy: 0.4864800746662733
Energy: 0.5386773407846182
Energy: 0.4239902801459341
Energy: 0.41708479207249854
Energy: 0.4180843220089889
Energy: 0.4245440596918146
Energy: 0.4171618428329322
Energy: 0.4937645702200568
Energy: 0.4171806680773178
Energy: 0.47051171915561285
Energy: 0.49367229069151275
Energy: 0.4172352044571591
Energy: 0.4704877052767544

minimum gb energy = 0.3303141056035183 eV
minimum distance =  2.6693754486719 Angstroms
sigma value = 17


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

Energy: 0.789653874072505
Energy: 0.5177333429091548
Energy: 0.40559771471838396
Energy: 0.3822809539387152
Energy: 0.48174503795748586
Energy: 0.40196683847827763
Energy: 0.46650362401330975
Energy: 0.4294223749730815
Energy: 0.42941111525636433
Energy: 0.43051804010185957
Energy: 0.4311374626037805
Energy: 0.35798040465861725
Energy: 0.542912484802849
Energy: 0.3335845299245309
Energy: 0.3803944557335051
Energy: 0.42945212924054665
Energy: 0.333265836664765
Energy: 0.3805240722458465
Energy: 0.43194332996002566
Energy: 0.3807916267969526
Energy: 0.3804441918931175
Energy: 0.43224197058358416
Energy: 0.4330781404612826
Energy: 0.3803226450641754
Energy: 0.4135724371763658
Energy: 0.41579290476261616
Energy: 0.35931543211358324
Energy: 0.413326117376268
Energy: 0.41503108100215846
Energy: 0.3595675341240983
Energy: 0.3804874315653592
Energy: 0.35820400564744087
Energy: 0.3340340501388669
Energy: 0.3334546595784984
Energy: 0.35820798485666705
Energy: 0.33364010031380814
Energy: 0.4140288906363294
Energy: 0.3579539749457421
Energy: 0.3579417596139183
Energy: 0.35872348602816984
Energy: 0.35890225827730754
Energy: 0.3988446954883745
Energy: 0.3269164158648248
Energy: 0.32031045078649556
Energy: 0.37830244919428385
Energy: 0.3277717556810853
Energy: 0.3198502436622102
Energy: 0.32702977200885947
Energy: 0.3272687016483563
Energy: 0.32698896023063495
Energy: 0.327117763278169
Energy: 0.3279705169166751
Energy: 0.3983434463989218
Energy: 0.32699591919447013
Energy: 0.326836640075609
Energy: 0.3730285561993948
Energy: 0.37368474608913105
Energy: 0.32702190338005976
Energy: 0.3714699065798833
Energy: 0.373145328327708
Energy: 0.33607402559642785
Energy: 0.326995853022452
Energy: 0.3734573349962813
Energy: 0.3710848231517481
Energy: 0.32683541415507156
Energy: 0.3733580221552765
Energy: 0.39138877637964375
Energy: 0.3269146365580199
Energy: 0.3269232889718481
Energy: 0.39207520793952166
Energy: 0.32964310637092653
Energy: 0.32679387642906316
Energy: 0.3341659566300823
Energy: 0.42650808992501765
Energy: 0.3288839374926217
Energy: 0.3572524188974517
Energy: 0.32721376195887036
Energy: 0.32846849535670847
Energy: 0.35787049166416424
Energy: 0.3803918168260962
Energy: 0.40125609341158613
Energy: 0.35884571482238353
Energy: 0.3944530085165842
Energy: 0.35762828563963633
Energy: 0.35764635725152266
Energy: 0.3285988052336313
Energy: 0.3270173487766145
Energy: 0.3576980880580173
Energy: 0.32616060110832795
Energy: 0.35737979431250716
Energy: 0.4811319939803606
Energy: 0.36677811688293044
Energy: 0.3587913284517053
Energy: 0.4163696481185586
Energy: 0.4263943899335794
Energy: 0.358571326954204
Energy: 0.43839896850740095
Energy: 0.42948135908769464
Energy: 0.4295263272738037
Energy: 0.4390315275808979
Energy: 0.429441269758403
Energy: 0.3570743688938942
Energy: 0.41476407338068216
Energy: 0.42947331213029344
Energy: 0.42948560946047964
Energy: 0.41502578098317483
Energy: 0.4294490419480311
Energy: 0.3575279012923501
Energy: 0.4318046245720152
Energy: 0.4293380124993461
Energy: 0.3964335109745406
Energy: 0.36532224662767027
Energy: 0.40803511885537164
Energy: 0.35839040163527963
Energy: 0.5431052082118242
Energy: 0.3572316903193282
Energy: 0.3571180271642419
Energy: 0.48753062040046374
Energy: 0.35696235193547915
Energy: 0.4300249295389291
Energy: 0.4622433629429908
Energy: 0.4293287988788464
Energy: 0.42944125253584553
Energy: 0.4305537127650898
Energy: 0.4300759775791011
Energy: 0.4298671715521313
Energy: 0.4310648761574864
Energy: 0.4293969428171313
Energy: 0.476809400731104
Energy: 0.4323757516898594
Energy: 0.42905556697498076
Energy: 0.3801372639044596
Energy: 0.43302094679102754
Energy: 0.42950035008323173
Energy: 0.42954160267605795
Energy: 0.4334590117410566
Energy: 0.430291354339214
Energy: 0.47660677002762386
Energy: 0.5246534002070498
Energy: 0.33317262974270967
Energy: 0.42975000329420077
Energy: 0.4307616563252574
Energy: 0.43420780020709715
Energy: 0.4299942030786053
Energy: 0.43030922727349064
Energy: 0.3334615795946718
Energy: 0.38037860184816036
Energy: 0.430239583672714
Energy: 0.33420242019217283
Energy: 0.380671904622038
Energy: 0.3664711619095796
Energy: 0.41816188177815694
Energy: 0.3587921891707488
Energy: 0.36669774095457236
Energy: 0.41795770189611553
Energy: 0.3589657162923367
Energy: 0.45018658937815437
Energy: 0.3602143055866817
Energy: 0.35750217779928145
Energy: 0.33341934242432825
Energy: 0.3596270045821491
Energy: 0.33580084744995264
Energy: 0.44752188180925573
Energy: 0.35796941863878307
Energy: 0.35806461834704706
Energy: 0.3749365325884103
Energy: 0.3587704884898802
Energy: 0.35792499975020864
Energy: 0.3276990003072223
Energy: 0.3791995666576973
Energy: 0.4179366109952033
Energy: 0.3828056240942559
Energy: 0.3351477867554962
Energy: 0.38061163625391536
Energy: 0.32714448280974334
Energy: 0.31909375364099063
Energy: 0.32839946158680006
Energy: 0.32717801484164827
Energy: 0.31958903318043136
Energy: 0.3286576357084923
Energy: 0.32940273546827825
Energy: 0.37384201197679207
Energy: 0.3734727116085297
Energy: 0.32995477522972844
Energy: 0.3723614891801115
Energy: 0.32687441641384823
Energy: 0.3276721288927399
Energy: 0.37642499878783686
Energy: 0.3766740883898656
Energy: 0.34220755225169114
Energy: 0.32660684194179496
Energy: 0.4192515913336259
Energy: 0.39652491748380025
Energy: 0.3267701159136401
Energy: 0.32685516866279035
Energy: 0.39641836598759933
Energy: 0.328441464556715
Energy: 0.32696840923253706
Energy: 0.35771837115487054
Energy: 0.32682274990899357
Energy: 0.3483441781138278
Energy: 0.32770789330186695
Energy: 0.32646100447713317
Energy: 0.3263553593861194
Energy: 0.3578016229878874
Energy: 0.433656655034259
Energy: 0.4330191176167549
Energy: 0.35769594649361197
Energy: 0.43228786685945564
Energy: 0.432110667225461
Energy: 0.35766207676414247
Energy: 0.3261118621884587
Energy: 0.35762127708964664
Energy: 0.35777134588055687
Energy: 0.32650123227664335
Energy: 0.35777677720415985
Energy: 0.48159272038244844
Energy: 0.3575475768240916
Energy: 0.35760421077140614
Energy: 0.3616968813737469
Energy: 0.3763341577264222
Energy: 0.3575471658638028
Energy: 0.44098884753232725
Energy: 0.42944683139679307
Energy: 0.4293927960267582
Energy: 0.46766945511083624
Energy: 0.4318305871106086
Energy: 0.42943632806329385
Energy: 0.41325193563473017
Energy: 0.4292129241175013
Energy: 0.359549594614638
Energy: 0.35725439303733947
Energy: 0.4863386374402175
Energy: 0.3586330374526026
Energy: 0.4300005944602189
Energy: 0.4292915582253147
Energy: 0.4294849583500608
Energy: 0.36723481911486267
Energy: 0.4322872322836936
Energy: 0.39482817481418886
Energy: 0.49022998865007905
Energy: 0.3565874679604898
Energy: 0.42883701082355274
Energy: 0.4293754737038441
Energy: 0.35685855332483113
Energy: 0.4291402545411022
Energy: 0.5244826752055641
Energy: 0.4002596594370866
Energy: 0.42913485291288195
Energy: 0.4673113080808837
Energy: 0.40824513380963146
Energy: 0.42931742168991305
Energy: 0.43377651821964813
Energy: 0.4294380437741461
Energy: 0.4293656256535337
Energy: 0.434279652655746
Energy: 0.4326075842862564
Energy: 0.4766200705258989

minimum gb energy = 0.31909375364099063 eV
minimum distance =  2.65716431642153 Angstroms
sigma value = 57


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

Energy: 0.4272406329189349
Energy: 0.5169716381551335
Energy: 0.4058408240427718
Energy: 0.3614158266206949
Energy: 0.4721998562721159
Energy: 0.40683722820509277
Energy: 0.45090451557057654
Energy: 0.4221460781020617
Energy: 0.36380650638678247
Energy: 0.4311572600699523
Energy: 0.4287099751073285
Energy: 0.3634481103311651
Energy: 0.5211787626647336
Energy: 0.34232877501520276
Energy: 0.3389296731199626
Energy: 0.4324987040989688
Energy: 0.3745416629635235
Energy: 0.38493940872979604
Energy: 0.4300263319476171
Energy: 0.34018630599093885
Energy: 0.38482455568401003
Energy: 0.429293916197921
Energy: 0.39552537922072034
Energy: 0.38460291412118086
Energy: 0.4027165139807468
Energy: 0.36681814678891833
Energy: 0.363174211816026
Energy: 0.4034294333976789
Energy: 0.3647140751521394
Energy: 0.3680600527998005
Energy: 0.33913481027877196
Energy: 0.362687811813206
Energy: 0.33929306109523777
Energy: 0.31574998894459233
Energy: 0.36264788671784987
Energy: 0.3392338936611694
Energy: 0.4776395110096238
Energy: 0.3675448320804439
Energy: 0.362662320161974
Energy: 0.4529567309227422
Energy: 0.36529279250159724
Energy: 0.4019616086758058
Energy: 0.44364402126360064
Energy: 0.31568653828429205
Energy: 0.31575298854186207
Energy: 0.3766282923641415
Energy: 0.3564873651464957
Energy: 0.3294599446973238
Energy: 0.32984809543697813
Energy: 0.32832497214350215
Energy: 0.3275679537613541
Energy: 0.33088860349254906
Energy: 0.37887842677308303
Energy: 0.32754335127048934
Energy: 0.32779729535049695
Energy: 0.4084854507006324
Energy: 0.40610532979767283
Energy: 0.3277966593467129
Energy: 0.4101283083374439
Energy: 0.4057782669549533
Energy: 0.3752081050605135
Energy: 0.3122141773377619
Energy: 0.3137900282467417
Energy: 0.31357571226033143
Energy: 0.3120684945072357
Energy: 0.3134796719185749
Energy: 0.43018901756769135
Energy: 0.31633253628951546
Energy: 0.31207810157117705
Energy: 0.4296090339022523
Energy: 0.31718405496560426
Energy: 0.3583804801422474
Energy: 0.31231599356765233
Energy: 0.39900163994179794
Energy: 0.39786729202280274
Energy: 0.3132018876720106
Energy: 0.36009606640013625
Energy: 0.39833180488527375
Energy: 0.31212523485438454
Energy: 0.3577834445878429
Energy: 0.3118108929133843
Energy: 0.3132315568705771
Energy: 0.38113033060322143
Energy: 0.31184089517221
Energy: 0.31207243099366005
Energy: 0.3126177224115128
Energy: 0.31412911978320907
Energy: 0.3122519625208022
Energy: 0.3128545907636403
Energy: 0.3131202011113716
Energy: 0.45069450872346056
Energy: 0.3277217574098685
Energy: 0.40476854052783573
Energy: 0.4114330634409008
Energy: 0.3276258828057036
Energy: 0.40425574293969657
Energy: 0.386543639732632
Energy: 0.3274798159471541
Energy: 0.32747504317455983
Energy: 0.3856144192981652
Energy: 0.3317762383084534
Energy: 0.32753863704461195
Energy: 0.4073524145137498
Energy: 0.3278739504055432
Energy: 0.32738223143992845
Energy: 0.3988465162091555
Energy: 0.3326459922097477
Energy: 0.3274236725351667
Energy: 0.36229739564172686
Energy: 0.38192029734602234
Energy: 0.362308185168947
Energy: 0.36332188554845696
Energy: 0.37248882170796144
Energy: 0.36224619047394485
Energy: 0.4699954747526122
Energy: 0.32757812807386333
Energy: 0.32715763633555306
Energy: 0.4708039329875109
Energy: 0.32767438244921226
Energy: 0.36593478677984687
Energy: 0.4906493503050293
Energy: 0.3648016096869351
Energy: 0.3656117185620765
Energy: 0.4159955586717617
Energy: 0.4409481697991613
Energy: 0.37076641579687863
Energy: 0.39659034318313185
Energy: 0.4270242093788056
Energy: 0.36217112770703486
Energy: 0.3649119081717442
Energy: 0.42707048400601627
Energy: 0.36211826056962787
Energy: 0.40265354160442596
Energy: 0.43147225973767095
Energy: 0.42694250010825185
Energy: 0.40775526307816784
Energy: 0.4313594272795668
Energy: 0.4272337007597247
Energy: 0.4680557581582672
Energy: 0.36311990820995393
Energy: 0.3629861689522874
Energy: 0.42092991034078603
Energy: 0.45095717384573614
Energy: 0.3641274097712459
Energy: 0.5256728217602582
Energy: 0.3622439415461615
Energy: 0.365688194652697
Energy: 0.4271122687884831
Energy: 0.36192025260503297
Energy: 0.4270698800619972
Energy: 0.45647510596386626
Energy: 0.43105400314750486
Energy: 0.42687714816770966
Energy: 0.42975977796588477
Energy: 0.43100598121043604
Energy: 0.42760929076632853
Energy: 0.3963613381948903
Energy: 0.42697413920237015
Energy: 0.3849661976472257
Energy: 0.33917241760717515
Energy: 0.42693774685702524
Energy: 0.38476516911493325

minimum gb energy = 0.3118108929133843 eV
minimum distance =  2.66228308321919 Angstroms
sigma value = 43


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

Energy: 0.3875423327644984
Energy: 0.4490951720084106
Energy: 0.38413331150630836
Energy: 0.37863157695799116
Energy: 0.44515972138052756
Energy: 0.34646290637458105
Energy: 0.4092644497537558
Energy: 0.3435432969744873
Energy: 0.34426545029895367
Energy: 0.3436896931333437
Energy: 0.34377828969190055
Energy: 0.34488710566692166
Energy: 0.4486976992674384
Energy: 0.29999433571007533
Energy: 0.3238115646039084
Energy: 0.39410228444125245
Energy: 0.35536895115465067
Energy: 0.3235198097929394
Energy: 0.388408201019521
Energy: 0.323364482891264
Energy: 0.32350982838617415
Energy: 0.34524757918341925
Energy: 0.3625961044081653
Energy: 0.361406737126815
Energy: 0.3901150174210975
Energy: 0.3430995980964504
Energy: 0.34488089624304685
Energy: 0.39014844647585845
Energy: 0.3448897982447607
Energy: 0.34303427620077687
Energy: 0.2996731767224713
Energy: 0.343124748278599
Energy: 0.32386104041085695
Energy: 0.32610870955879695
Energy: 0.34297197398847606
Energy: 0.3006804319357791
Energy: 0.42954864168012385
Energy: 0.3430284290785974
Energy: 0.3430265372721284
Energy: 0.3711803801714474
Energy: 0.345670591440604
Energy: 0.3848141153697649
Energy: 0.4035608454273491
Energy: 0.28621046539905504
Energy: 0.2997876872915405
Energy: 0.31379848531033394
Energy: 0.2888976952186104
Energy: 0.2999477054695897
Energy: 0.31375143191203614
Energy: 0.3304731473108567
Energy: 0.3121074662216757
Energy: 0.3144861860338809
Energy: 0.34718068011356856
Energy: 0.3123565575983278
Energy: 0.31200110599815983
Energy: 0.33471464113194616
Energy: 0.33590299439914545
Energy: 0.3120004785135469
Energy: 0.2954453280016777
Energy: 0.3636406743624464
Energy: 0.3203543407895188
Energy: 0.29299514513183805
Energy: 0.2937835238761977
Energy: 0.282199328899489
Energy: 0.29305939153705246
Energy: 0.2870685779313435
Energy: 0.3909316204351884
Energy: 0.2929635144303461
Energy: 0.29294643180603525
Energy: 0.39173213108554483
Energy: 0.29302955239090595
Energy: 0.3587850953197594
Energy: 0.3789799574921352
Energy: 0.28202115248790155
Energy: 0.32298511819291764
Energy: 0.38007056272854517
Energy: 0.31586298380688743
Energy: 0.32290651362658007
Energy: 0.28199332851925846
Energy: 0.3360097473214633
Energy: 0.281381418794174
Energy: 0.2830212955564624
Energy: 0.3835318590502677
Energy: 0.281484043268311
Energy: 0.28115702908088847
Energy: 0.3410235837079313
Energy: 0.3501068703028507
Energy: 0.2810933272340668
Energy: 0.2760250586746518
Energy: 0.3462364976691416
Energy: 0.3593672335952899
Energy: 0.2761794173403276
Energy: 0.2758413851201498
Energy: 0.36391101676876897
Energy: 0.2761869078027034
Energy: 0.34766495189295593
Energy: 0.3517649197957491
Energy: 0.27611034450655497
Energy: 0.27605920121481714
Energy: 0.3529414117264315
Energy: 0.27615063490883274
Energy: 0.3480020174169917
Energy: 0.3695850075794689
Energy: 0.3522801468456266
Energy: 0.35084353365341997
Energy: 0.2766114318688614
Energy: 0.3499522043532318
Energy: 0.35145958857520937
Energy: 0.27597222490786505
Energy: 0.3654792028633611
Energy: 0.27608878173783835
Energy: 0.27723824704327615
Energy: 0.3794107964579036
Energy: 0.27610898402156087
Energy: 0.37204189262840465
Energy: 0.3517973153325451
Energy: 0.3552219498215157
Energy: 0.37287611740224347
Energy: 0.35222460156359303
Energy: 0.35438318432034915
Energy: 0.37168409219174114
Energy: 0.2815228590304705
Energy: 0.2813173152294092
Energy: 0.37208177837362805
Energy: 0.28152287604641557
Energy: 0.3522162525241211
Energy: 0.3432042487319467
Energy: 0.2815535252185452
Energy: 0.28124518147767935
Energy: 0.3341041964961462
Energy: 0.2815341499828748
Energy: 0.2821833450438591
Energy: 0.2925927191370216
Energy: 0.2841944344035574
Energy: 0.28452373762484046
Energy: 0.2926426755044872
Energy: 0.2816538583587283
Energy: 0.3489346125962247
Energy: 0.29341315406268464
Energy: 0.3341123875434017
Energy: 0.29287607758862005
Energy: 0.29399590682502125
Energy: 0.39414104696553837
Energy: 0.29299396973728675
Energy: 0.38891938044474333
Energy: 0.32218721811853557
Energy: 0.29315544024602985
Energy: 0.38993332479251896
Energy: 0.316722218716453
Energy: 0.2934136452539026
Energy: 0.40563122703957244
Energy: 0.312258690909545
Energy: 0.312143840363602
Energy: 0.38955160760140745
Energy: 0.3122928143022361
Energy: 0.37230463191964164
Energy: 0.32574265836623584
Energy: 0.3122856967181914
Energy: 0.3123163911074903
Energy: 0.28705866539223107
Energy: 0.3123337061759815
Energy: 0.2930849509008209
Energy: 0.37133073443164333
Energy: 0.3120476273873588
Energy: 0.3123383519427447
Energy: 0.37141646517560994
Energy: 0.3146034848171688
Energy: 0.3658618622372942
Energy: 0.3446019833729715
Energy: 0.31176187245361087
Energy: 0.34294756811516514
Energy: 0.34559036095209145
Energy: 0.3539767915769285
Energy: 0.3430618450911797
Energy: 0.42418606310180335
Energy: 0.29277847250833516
Energy: 0.31196281557238253
Energy: 0.3429029590808425
Energy: 0.29262741955819704
Energy: 0.3122240915192202
Energy: 0.43770124227141455
Energy: 0.3441850726602867
Energy: 0.3438129598564336
Energy: 0.34363351575499773
Energy: 0.3833003688027563
Energy: 0.3446892233345314
Energy: 0.31219476277793873
Energy: 0.3938416069266546
Energy: 0.342531434876907
Energy: 0.30022654055561204
Energy: 0.39379313945807287
Energy: 0.31308212722103085
Energy: 0.4000255735846132
Energy: 0.3938318171969646
Energy: 0.39374147458346953
Energy: 0.39984226205017814
Energy: 0.3955461749572998
Energy: 0.38988573922702136
Energy: 0.42405656561767585
Energy: 0.3425873336225515
Energy: 0.34380837661673075
Energy: 0.34537526500166865
Energy: 0.38189177749583386
Energy: 0.3932059447714976
Energy: 0.4487231027492084
Energy: 0.31164625173920174
Energy: 0.34275304692433484
Energy: 0.39410023599573396
Energy: 0.34260174385594694
Energy: 0.3425958726184641
Energy: 0.40921337971618654
Energy: 0.3937729579713171
Energy: 0.3937732742574297
Energy: 0.3438986414448081
Energy: 0.39575246610908604
Energy: 0.3941039587425819

minimum gb energy = 0.2758413851201498 eV
minimum distance =  2.64094503168311 Angstroms
sigma value = 81


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

Energy: 0.06650110727494543
Energy: 0.09134814605334254
Energy: 0.06693178931235447
Energy: 0.06797037398047297
Energy: 0.09075554180271074
Energy: 0.0668485957365527
Energy: 0.09133473809803305
Energy: 0.06743924054298878
Energy: 0.06734059166465807
Energy: 0.0907736452048652
Energy: 0.06727607101522509
Energy: 0.06751859069657502
Energy: 0.09063076453014812
Energy: 0.06675657419173217
Energy: 0.06690530916684564
Energy: 0.09059617869036064
Energy: 0.06687394155722387
Energy: 0.09050856596353486
Energy: 0.06828252563890287
Energy: 0.0668890521844203
Energy: 0.066836084880058
Energy: 0.06738753693012067
Energy: 0.06672626169023393
Energy: 0.0910062155977475
Energy: 0.0905938248859927
Energy: 0.09066206937123941
Energy: 0.09071233650188221
Energy: 0.09122572096094485
Energy: 0.09068377480089146
Energy: 0.09073717322848258
Energy: 0.06715511213686066
Energy: 0.06753405214654662
Energy: 0.06703203518224053
Energy: 0.06812013999079324
Energy: 0.06754624823156569
Energy: 0.06684038527573846
Energy: 0.0907611407631359
Energy: 0.06742745702535517
Energy: 0.06749783357253157
Energy: 0.09057533281323835
Energy: 0.06727056534156513
Energy: 0.067594578808525
Energy: 0.09071379250311956
Energy: 0.06684996250901717
Energy: 0.06682973726452736
Energy: 0.09074874307956333
Energy: 0.06672592537829583
Energy: 0.09086762427098345
Energy: 0.06831932247220382
Energy: 0.06685977934688524
Energy: 0.0918804547915654
Energy: 0.06860058974618725
Energy: 0.06693591470104672
Energy: 0.09193384386051408
Energy: 0.06681058801433938
Energy: 0.09062014895584283
Energy: 0.0907431670653393
Energy: 0.06685164866359554
Energy: 0.09073728228288586
Energy: 0.09053954903255085

minimum gb energy = 0.06650110727494543 eV
minimum distance =  2.83298521334873 Angstroms
sigma value = 3


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

Energy: 0.39162887750006237
Energy: 0.3890542480342685
Energy: 0.422554516983237
Energy: 0.3620380147151849
Energy: 0.4227292131549864
Energy: 0.3615750767908999
Energy: 0.4396349419110061
Energy: 0.406667023911329
Energy: 0.4061701380541522
Energy: 0.4197898989272593
Energy: 0.4069680992509421
Energy: 0.4081171229260309
Energy: 0.398628696094088
Energy: 0.38946580099348976
Energy: 0.38956177717963786
Energy: 0.37976601934220433
Energy: 0.40132257250186393
Energy: 0.3726959941202115
Energy: 0.377874544632425
Energy: 0.3896183644518648
Energy: 0.3897771031493926
Energy: 0.3788837530860228
Energy: 0.33196739079812887
Energy: 0.4065356004104344
Energy: 0.33228602710566174
Energy: 0.40878760811040193
Energy: 0.40820950303934367
Energy: 0.332325960366439
Energy: 0.3729798378807753
Energy: 0.40824891939790453
Energy: 0.3044979805617124
Energy: 0.42015669551029355
Energy: 0.3902648161834108
Energy: 0.3468133144316965
Energy: 0.40861301770103386
Energy: 0.36684343695087446
Energy: 0.3966536863516474
Energy: 0.3332668213642437
Energy: 0.3331767516136147
Energy: 0.3724279442742066
Energy: 0.33340925208876165
Energy: 0.37179180635381437
Energy: 0.3778174671897512
Energy: 0.3512487318044591
Energy: 0.3501990125801988
Energy: 0.37782073120301696
Energy: 0.3566475500293148
Energy: 0.35080338489679175
Energy: 0.3474402313591938
Energy: 0.3769687316561214
Energy: 0.3918508902440667
Energy: 0.39477808323076763
Energy: 0.3047847176792982
Energy: 0.3916475302384343
Energy: 0.3052392108839719
Energy: 0.33235666203498
Energy: 0.33217115225098803
Energy: 0.30532216114170707
Energy: 0.33413479483516134
Energy: 0.33205293463344865
Energy: 0.2881828783417261
Energy: 0.3770437976394784
Energy: 0.3510906625584075
Energy: 0.3304195500436287
Energy: 0.3790333474607257
Energy: 0.3762869301257731
Energy: 0.30503033358514664
Energy: 0.378498108605949
Energy: 0.37863239240514607
Energy: 0.30511054993486636
Energy: 0.33554720392136445
Energy: 0.30530970287789694
Energy: 0.304547173141782
Energy: 0.3647046402738559
Energy: 0.37620367378408226
Energy: 0.3045910074786659
Energy: 0.3453391655248154
Energy: 0.30443738777717977
Energy: 0.3663686322172908
Energy: 0.28855573454622613
Energy: 0.3683512847442195
Energy: 0.35358859263846376
Energy: 0.288467723316106
Energy: 0.37616408958402137
Energy: 0.36081531494114255
Energy: 0.2885103319468329
Energy: 0.28832211706250815
Energy: 0.3605753998556861
Energy: 0.2896548203025767
Energy: 0.28814107386718735
Energy: 0.28087871394316993
Energy: 0.3689558635628765
Energy: 0.3680793145543981
Energy: 0.31801854825677783
Energy: 0.3601624144267586
Energy: 0.36611962837218254
Energy: 0.2807723062188518
Energy: 0.3608339976682661
Energy: 0.3570560453132135
Energy: 0.2806660733827986
Energy: 0.3609282901779503
Energy: 0.28065130605166766
Energy: 0.2803312399462435
Energy: 0.36040669765466166
Energy: 0.32090017026278195
Energy: 0.2803497022939332
Energy: 0.3598022047611882
Energy: 0.3538848796548604
Energy: 0.3638709002865706
Energy: 0.28184802277706855
Energy: 0.3626046508710561
Energy: 0.341372158372109
Energy: 0.2817484169578266
Energy: 0.36104191596025936
Energy: 0.35606232720751285
Energy: 0.28101728173011786
Energy: 0.28088542769276353
Energy: 0.3570095818725582
Energy: 0.28118738125580806
Energy: 0.28070189112302696
Energy: 0.3599939023176478
Energy: 0.3669269283783606
Energy: 0.3682136190602617
Energy: 0.3603397041888668
Energy: 0.2808090914578092
Energy: 0.36676508339939473
Energy: 0.2891968238297018
Energy: 0.36537894856574527
Energy: 0.2880363883326868
Energy: 0.28991329710081976
Energy: 0.37105380227142426
Energy: 0.2881984171825801
Energy: 0.2884291156152127
Energy: 0.3650602499183975
Energy: 0.36394871780756205
Energy: 0.2883948789885268
Energy: 0.3658722676553066
Energy: 0.36440897548285
Energy: 0.2838335937351714
Energy: 0.3046857150489606
Energy: 0.3046378659327686
Energy: 0.3523382538754909
Energy: 0.30455324515927923
Energy: 0.3296846316460909
Energy: 0.331054489770376
Energy: 0.3052493583239403
Energy: 0.3052551102601814
Energy: 0.3310327509116192
Energy: 0.30574937526185175
Energy: 0.30527653792725096
Energy: 0.3845211637286391
Energy: 0.344177346777734
Energy: 0.3434284073153788
Energy: 0.3855511309835555
Energy: 0.35204840505676943
Energy: 0.37804626828327786
Energy: 0.3322182772631307
Energy: 0.3708801048185709
Energy: 0.3442168470193862
Energy: 0.33324631047201225
Energy: 0.294318563345681
Energy: 0.3321223337090575
Energy: 0.31546974548684664
Energy: 0.3980046634314084
Energy: 0.3912101258824185
Energy: 0.31566131126189045
Energy: 0.35201215088245014
Energy: 0.3911301094381325
Energy: 0.2944352125147935
Energy: 0.377791591904914
Energy: 0.34964124085600934
Energy: 0.3359020290816985
Energy: 0.3778267157977554
Energy: 0.3144902064723273
Energy: 0.3330089151052463
Energy: 0.3738436219502414
Energy: 0.37393127024691175
Energy: 0.33304917981553184
Energy: 0.3727283987775396
Energy: 0.3714646790241126
Energy: 0.3749250293920135
Energy: 0.36761105932024923
Energy: 0.36687677995983015
Energy: 0.3749644749275719
Energy: 0.3655764396794358
Energy: 0.36770895289139677
Energy: 0.3870217491801543
Energy: 0.39111674431463944
Energy: 0.39656841687409494
Energy: 0.3786189216696754
Energy: 0.31521742240435285
Energy: 0.37368586447694646
Energy: 0.34859201725469435
Energy: 0.37199635157702976
Energy: 0.3721181200698292
Energy: 0.34861564103640247
Energy: 0.37187516712772184
Energy: 0.3835353439888648

minimum gb energy = 0.2803312399462435 eV
minimum distance =  2.65276724126714 Angstroms
sigma value = 67


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

Energy: 0.4680947158054166
Energy: 0.49156832969355524
Energy: 0.44838078460623076
Energy: 0.44556491936461046
Energy: 0.49184780541329276
Energy: 0.45864820370269765
Energy: 0.4951197193623887
Energy: 0.45803069455380435
Energy: 0.45413189646293284
Energy: 0.46588017422575967
Energy: 0.45521373712069607
Energy: 0.46189692713075836
Energy: 0.44033041520411953
Energy: 0.43436787892540285
Energy: 0.4636481379366806
Energy: 0.4574665428419943
Energy: 0.4058489601173995
Energy: 0.4632358237058644
Energy: 0.4011182916196875
Energy: 0.4629814161849308
Energy: 0.46311171425489295
Energy: 0.4021159789169909
Energy: 0.4117004065854831
Energy: 0.463760275677274
Energy: 0.3998348824897365
Energy: 0.45749445744606065
Energy: 0.46211162885615475
Energy: 0.3998125291469986
Energy: 0.4551224449216501
Energy: 0.46451146553680134
Energy: 0.3746337327445886
Energy: 0.45661540291741465
Energy: 0.4328773066092325
Energy: 0.4092970203309928
Energy: 0.45645362059712
Energy: 0.4029301918420811
Energy: 0.39995016478868534
Energy: 0.41117099868105506
Energy: 0.41191209966056286
Energy: 0.3997294322731917
Energy: 0.4063333769795747
Energy: 0.41146239213039926
Energy: 0.40396687763770595
Energy: 0.4072317605914472
Energy: 0.3806588988454414
Energy: 0.40505289019091467
Energy: 0.3849962788134557
Energy: 0.40709466368757524
Energy: 0.43359432449383767
Energy: 0.4435143916296229
Energy: 0.4462158112920129
Energy: 0.43440515483593123
Energy: 0.3463253658212175
Energy: 0.4448469600816571
Energy: 0.43066192915242596
Energy: 0.34842555656913343
Energy: 0.34565612798272427
Energy: 0.428480289339619
Energy: 0.3479080140151263
Energy: 0.3455155865448488
Energy: 0.37548057445324
Energy: 0.3792793279180275
Energy: 0.4286425899678783
Energy: 0.384649941486089
Energy: 0.38542405238773886
Energy: 0.4327742480037621
Energy: 0.32165160506573043
Energy: 0.41912832547716106
Energy: 0.4131419111869368
Energy: 0.32165170397510523
Energy: 0.40794043103048416
Energy: 0.32180646511449157
Energy: 0.32182889726679703
Energy: 0.419290315074101
Energy: 0.32167167511858474
Energy: 0.32184662393771946
Energy: 0.3854823303552249
Energy: 0.32172870292128186
Energy: 0.4187140736439891
Energy: 0.3227261387819198
Energy: 0.4211344387411309
Energy: 0.37983917485723884
Energy: 0.3223525129974068
Energy: 0.42012381212187905
Energy: 0.4120745723088768
Energy: 0.3243835684862701
Energy: 0.32173389275066355
Energy: 0.4130048253019762
Energy: 0.3240611677539382
Energy: 0.32173999992887126
Energy: 0.41855618094802055
Energy: 0.42907527892995256
Energy: 0.4284215420959951
Energy: 0.4054916059693855
Energy: 0.321615565879321
Energy: 0.4266431060510351
Energy: 0.34696920492237737
Energy: 0.4231318292278708
Energy: 0.37805677683911304
Energy: 0.3476956164492101
Energy: 0.3804440575826853
Energy: 0.3460922053414852
Energy: 0.34592242114799177
Energy: 0.43783123812358793
Energy: 0.4370887578388874
Energy: 0.34612093970635327
Energy: 0.43701492732860414
Energy: 0.34571724867176584
Energy: 0.41626913055542847
Energy: 0.438491153999863
Energy: 0.39566309999738813
Energy: 0.39101725133841336
Energy: 0.4503195121720844
Energy: 0.3632596575897844
Energy: 0.3479473440029887
Energy: 0.4007311400694581
Energy: 0.4089800162606926
Energy: 0.3479789048355101
Energy: 0.4008749106193743
Energy: 0.41140989063318417
Energy: 0.4045646632361556
Energy: 0.4310131385284494
Energy: 0.4521841509245333
Energy: 0.4050843694988539
Energy: 0.3280582201552183
Energy: 0.4534005306527756
Energy: 0.47517227849274507
Energy: 0.43317364503436123
Energy: 0.4524875021017559
Energy: 0.4573434615056875
Energy: 0.39107491079582757
Energy: 0.4482635302316941
Energy: 0.4344853333003991
Energy: 0.40075458650398293
Energy: 0.40052532554531456
Energy: 0.4377013066835573
Energy: 0.40152775537995644
Energy: 0.4088678083529144

minimum gb energy = 0.321615565879321 eV
minimum distance =  2.65074886583801 Angstroms
sigma value = 33


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

Energy: 0.4425575728719616
Energy: 0.5107927838164322
Energy: 0.5143473789437764
Energy: 0.4420426618539265
Energy: 0.5107542477190699
Energy: 0.444197432938545
Energy: 0.5135277073684082
Energy: 0.46718998410729917
Energy: 0.4674171748354272
Energy: 0.4762654797805289
Energy: 0.4693161715468563
Energy: 0.46726532602844256
Energy: 0.44959013299020845
Energy: 0.4825846608905
Energy: 0.47705316896634836
Energy: 0.4657354256976172
Energy: 0.4725490961362583
Energy: 0.46419890932142766
Energy: 0.39666113854905943
Energy: 0.4793522506633262
Energy: 0.4768442566184929
Energy: 0.3979151636740511
Energy: 0.39815280486506627
Energy: 0.47676206006894195
Energy: 0.3984936663392978
Energy: 0.4657917268058064
Energy: 0.4659768215520477
Energy: 0.3985489791345071
Energy: 0.4674492736878591
Energy: 0.47784653561827056
Energy: 0.4772636206547478
Energy: 0.4844278816799217
Energy: 0.46571657533544725
Energy: 0.3822688281016518
Energy: 0.4841454588673731
Energy: 0.4437627165410019
Energy: 0.39854662846161154
Energy: 0.4129819038536736
Energy: 0.4789071166949286
Energy: 0.39852219258720956
Energy: 0.41334456338663356
Energy: 0.4111428643255697
Energy: 0.39797928800640314
Energy: 0.38179619962727274
Energy: 0.41491660402320885
Energy: 0.3985148699674572
Energy: 0.383453520234001
Energy: 0.3962977213386175
Energy: 0.44157376342964644
Energy: 0.4440425310125402
Energy: 0.45372322206714744
Energy: 0.4111226525139433
Energy: 0.34309725310324973
Energy: 0.4559848593813731
Energy: 0.44165038002790297
Energy: 0.3434944801729451
Energy: 0.34347570415610573
Energy: 0.442723339105511
Energy: 0.34401595373213983
Energy: 0.3430835734204977
Energy: 0.4419907706389029
Energy: 0.3435811314108574
Energy: 0.4461057490160753
Energy: 0.3806927310258034
Energy: 0.34336105258036503
Energy: 0.4476159899165977
Energy: 0.3432878888325562
Energy: 0.34521923689169925
Energy: 0.342826723064916
Energy: 0.3433682136319788
Energy: 0.4459614088413041
Energy: 0.34306472869115473
Energy: 0.3431183716110599
Energy: 0.34422165658305887
Energy: 0.34345818109421794
Energy: 0.34306722204943013
Energy: 0.45468017652407217
Energy: 0.3429659981574983
Energy: 0.44803428259850603
Energy: 0.4288381273107435
Energy: 0.47192956133741765
Energy: 0.36987698663498814
Energy: 0.42309434185861944
Energy: 0.3550649847202952
Energy: 0.393255950608767
Energy: 0.3969175375081518
Energy: 0.396781227135711
Energy: 0.39321680749321075
Energy: 0.39835391488299315
Energy: 0.41272263341327603
Energy: 0.40225821223796254
Energy: 0.45475523643916904
Energy: 0.4594847565759867
Energy: 0.4114293938919632
Energy: 0.35431372366277186
Energy: 0.4124979522263844
Energy: 0.4723000066528554
Energy: 0.43035190348897756
Energy: 0.4610875216645705
Energy: 0.46550228377995145
Energy: 0.43864347451817043
Energy: 0.4569390757756734
Energy: 0.5138400892393612
Energy: 0.46722719909054905
Energy: 0.46736191794935916
Energy: 0.46736240919480043
Energy: 0.468909411280555
Energy: 0.4636874124088957
Energy: 0.43158240786207175
Energy: 0.4653913032608134
Energy: 0.48863094849606986
Energy: 0.43983499919387575
Energy: 0.46525266661674236
Energy: 0.4562417603932358
Energy: 0.4416064252305778
Energy: 0.4657224608820901
Energy: 0.46591104421379675
Energy: 0.44171861402174023
Energy: 0.4676101822641996
Energy: 0.4657129761817114
Energy: 0.4508785137535396
Energy: 0.47999174241179715
Energy: 0.47682939234949684
Energy: 0.46668976927090283
Energy: 0.4427758587310754
Energy: 0.46399560595553396
Energy: 0.46648631481556746
Energy: 0.4824981839013169
Energy: 0.47669971326588134
Energy: 0.4668492368211941
Energy: 0.4649747134120794
Energy: 0.4769976031710316
Energy: 0.3985196115988923
Energy: 0.4671877511895559
Energy: 0.46794815267794126
Energy: 0.39856384329186073
Energy: 0.4694841124392663
Energy: 0.4785546845253914
Energy: 0.405282791563541
Energy: 0.4843018304996558
Energy: 0.48431900100033787
Energy: 0.38349405585725943
Energy: 0.4841252150771294
Energy: 0.404677009904061
Energy: 0.39845193569321635
Energy: 0.4783086479409585
Energy: 0.4788594201045706
Energy: 0.3985830041475923
Energy: 0.4777079184156571
Energy: 0.4602240105516662
Energy: 0.39680093356359014
Energy: 0.38173727708412775
Energy: 0.41316910493921133
Energy: 0.39751759412873366
Energy: 0.42726844139446485
Energy: 0.3963725284924381
Energy: 0.4154800157865665
Energy: 0.41871016037897524
Energy: 0.454184259280097
Energy: 0.4457083313066384
Energy: 0.3427157507365368
Energy: 0.45896546413059863
Energy: 0.44132098047150575
Energy: 0.3434246057912311
Energy: 0.343486458521377
Energy: 0.4424330715095454
Energy: 0.34471655997090656
Energy: 0.3432142838621469
Energy: 0.4422212882463524
Energy: 0.34336608085931725
Energy: 0.4039601741831724
Energy: 0.3429697396986575
Energy: 0.3430599551621389
Energy: 0.4480787085519761
Energy: 0.3428070450592707
Energy: 0.3470506261257722
Energy: 0.3430081591195903
Energy: 0.3426100272362589
Energy: 0.44347428320092774
Energy: 0.34302596921636985
Energy: 0.34307348700625934
Energy: 0.3440463852671298
Energy: 0.34291403868255743
Energy: 0.3431903561128861
Energy: 0.4524035826439141
Energy: 0.3430531583798154
Energy: 0.39300260819103766
Energy: 0.46497607936472296
Energy: 0.45645270959063067
Energy: 0.4067570453314659
Energy: 0.4242029100690885
Energy: 0.35509694950029497
Energy: 0.39303147421366086
Energy: 0.3973433863842522
Energy: 0.396463026958748
Energy: 0.39301412114351963
Energy: 0.3976797255700777
Energy: 0.4126202961607047
Energy: 0.4066500578118864
Energy: 0.35482882775490854
Energy: 0.41194476965700194
Energy: 0.41059143031525813
Energy: 0.35439969602734106
Energy: 0.41249448038873504
Energy: 0.4718879918881336
Energy: 0.43064629141801264
Energy: 0.46243656754504325
Energy: 0.4724418683876235
Energy: 0.41614519493248214
Energy: 0.452248931204081
Energy: 0.4925676793116451
Energy: 0.39911680699083363
Energy: 0.39913148752981153
Energy: 0.46772263616849236
Energy: 0.3988770400255335
Energy: 0.49579663972198296
Energy: 0.5036405217454335
Energy: 0.4655266721940353
Energy: 0.48879310437884954
Energy: 0.4386939267240806
Energy: 0.46537134071890895
Energy: 0.4554206704185614

minimum gb energy = 0.3426100272362589 eV
minimum distance =  2.64484227526522 Angstroms
sigma value = 41


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

Energy: 0.6152532823707403
Energy: 0.5321856587187221
Energy: 0.5290336823028706
Energy: 0.42359580939025904
Energy: 0.5319635930023744
Energy: 0.5291058385000464
Energy: 0.51621800503118
Energy: 0.45933945556718614
Energy: 0.45946470215150975
Energy: 0.4589712253383169
Energy: 0.46057358771966905
Energy: 0.4602320337458329
Energy: 0.5144570115166781
Energy: 0.44845113661617453
Energy: 0.4578961950457863
Energy: 0.4591192624799838
Energy: 0.44815925554805786
Energy: 0.4578666489113134
Energy: 0.4597992420795445
Energy: 0.5085954960640348
Energy: 0.4385755776966509
Energy: 0.4606720799568548
Energy: 0.44402414391065076
Energy: 0.4597483530871624
Energy: 0.3860725179230037
Energy: 0.46038958507212585
Energy: 0.45911691024362034
Energy: 0.38600864755897774
Energy: 0.46016381373812293
Energy: 0.43727182094977596
Energy: 0.47621329956024266
Energy: 0.47522326312497615
Energy: 0.4593837688087676
Energy: 0.36450239200094514
Energy: 0.4741671783606389
Energy: 0.45926832447431526
Energy: 0.38652141745683133
Energy: 0.4381815598874507
Energy: 0.43864378096198553
Energy: 0.3866290829808195
Energy: 0.4861775362852848
Energy: 0.3858113046942102
Energy: 0.38707730779470223
Energy: 0.36681403999896656
Energy: 0.38571535406363233
Energy: 0.387930024427099
Energy: 0.36517911850712226
Energy: 0.3860469419566038
Energy: 0.4542550683648175
Energy: 0.3931433609578547
Energy: 0.3930679781279775
Energy: 0.41546525902858233
Energy: 0.38672317653489013
Energy: 0.37765460684681207
Energy: 0.413018685137732
Energy: 0.38931631914212944
Energy: 0.38527390603114847
Energy: 0.4577055978305051
Energy: 0.38658144915799714
Energy: 0.36665484822742844
Energy: 0.47541464250611876
Energy: 0.3862245094138649
Energy: 0.38597440002558986
Energy: 0.43708837013795304
Energy: 0.3517217943852117
Energy: 0.43801231232337384
Energy: 0.5165387126955913
Energy: 0.4187218690587613
Energy: 0.41812582710374946
Energy: 0.5171919302897166
Energy: 0.351496600901282
Energy: 0.41801254474892974
Energy: 0.5194887622221034
Energy: 0.4591615583681063
Energy: 0.44596004598730526
Energy: 0.461121527847521
Energy: 0.46350695718435425
Energy: 0.46046996812125257
Energy: 0.49434742220557143
Energy: 0.45853142668842145
Energy: 0.49100349487600886
Energy: 0.3558433415235979
Energy: 0.45859468618747873
Energy: 0.49158680908662883

minimum gb energy = 0.351496600901282 eV
minimum distance =  2.70150452295112 Angstroms
sigma value = 11


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

Energy: 0.7647910283269829
Energy: 0.6098255940796109
Energy: 0.5485134247700926
Energy: 0.5358134566944801
Energy: 0.6518334319186067
Energy: 0.4711131973861881
Energy: 0.5821499066449582
Energy: 0.4221211091885621
Energy: 0.42260627871731943
Energy: 0.46923013016255316
Energy: 0.42211823838768925
Energy: 0.4222941996544724
Energy: 0.5653969352312339
Energy: 0.4645624937459005
Energy: 0.4646579826982295
Energy: 0.5665459457327287
Energy: 0.42781905263845876
Energy: 0.44424000903750527
Energy: 0.4654344757579207
Energy: 0.4374257387033511
Energy: 0.4683918904406524
Energy: 0.46539459565702906
Energy: 0.40692568461150447
Energy: 0.44322604647495123
Energy: 0.46824666126109027
Energy: 0.42230612854454386
Energy: 0.4224974540012321
Energy: 0.468349085050222
Energy: 0.42306420534375844
Energy: 0.4315477542507346
Energy: 0.46840455427376726
Energy: 0.4315134064395468
Energy: 0.4241392034403907
Energy: 0.4569696457674902
Energy: 0.4316608388796671
Energy: 0.4458750423104609
Energy: 0.4313777422442766
Energy: 0.4241665478511362
Energy: 0.4369427139953758
Energy: 0.43142625485645625
Energy: 0.4090422713916757
Energy: 0.4241168238385706
Energy: 0.44028326328929934
Energy: 0.4727501227562302
Energy: 0.4223359959101029
Energy: 0.42240819127952456
Energy: 0.46833981088508336
Energy: 0.42246367216317604
Energy: 0.43172089720563384
Energy: 0.46398117622927404
Energy: 0.44403083707035906
Energy: 0.4460315690141311
Energy: 0.46503511033491285
Energy: 0.4089431101966684
Energy: 0.4316702397064078
Energy: 0.4631931367328309
Energy: 0.4437856304483702
Energy: 0.4432908380820178
Energy: 0.5589916465789788
Energy: 0.4089050867963946
Energy: 0.44033926053255834
Energy: 0.47215281609710136
Energy: 0.4222828488480786
Energy: 0.4226017353253049
Energy: 0.44489342004356947
Energy: 0.422459945191511
Energy: 0.4489579439625046
Energy: 0.5174095425030295
Energy: 0.47757612327950594
Energy: 0.46612767466061067
Energy: 0.4630939864404667
Energy: 0.4766986535242746
Energy: 0.422084377222095
Energy: 0.46709227031703954
Energy: 0.46283127318916084
Energy: 0.42209437382992393
Energy: 0.4666389221712051
Energy: 0.423061420243076
Energy: 0.45095328815781793
Energy: 0.48509994179635535
Energy: 0.4709115300561716
Energy: 0.4555699868523368
Energy: 0.5661976570407988
Energy: 0.44401362413714124
Energy: 0.4075766833485924
Energy: 0.47031703425232774
Energy: 0.4755579471963142
Energy: 0.4077784653296977
Energy: 0.47162886990443426
Energy: 0.4338279659871516
Energy: 0.40789000544531906
Energy: 0.44624983162900245
Energy: 0.4075974741142642
Energy: 0.40886335258095147
Energy: 0.46928605063303297
Energy: 0.4076277746394363
Energy: 0.4076525724902831
Energy: 0.46185057716962535
Energy: 0.4832048473163714
Energy: 0.40761842665530373
Energy: 0.4621991345172146
Energy: 0.43749124700159403
Energy: 0.5797275891955217
Energy: 0.4795441234202167
Energy: 0.4791696404167442
Energy: 0.44243432509690467
Energy: 0.4888324475757537
Energy: 0.4501305970477657
Energy: 0.44258003658462625
Energy: 0.44296879900841346
Energy: 0.4431565353637458
Energy: 0.442599289441304
Energy: 0.44271836588893254
Energy: 0.4603724697628388
Energy: 0.442918148282263
Energy: 0.4642532236464535
Energy: 0.46387060053764395
Energy: 0.4430001613209811
Energy: 0.4108461378689634
Energy: 0.4421178711680018
Energy: 0.48959297655540784
Energy: 0.47899772039827637
Energy: 0.4597423120783959
Energy: 0.47406425133973895
Energy: 0.4083953369345302
Energy: 0.4374397258572064
Energy: 0.4387839903323665
Energy: 0.4434414263973037
Energy: 0.45039801314456895
Energy: 0.4212777599063302
Energy: 0.4425934882005768
Energy: 0.4573281604701062
Energy: 0.42093866444325706
Energy: 0.44617030926397694
Energy: 0.47806752861275525
Energy: 0.4513190135601008
Energy: 0.4431708368645413
Energy: 0.46499189845591166
Energy: 0.5056142200282647
Energy: 0.4429328539418607
Energy: 0.4683421229812463
Energy: 0.44742188405809596
Energy: 0.44273897832200504
Energy: 0.45595624159544773
Energy: 0.48810405082107916
Energy: 0.4511799690466938
Energy: 0.4550823845659088
Energy: 0.4888916686222256
Energy: 0.4297435698775928
Energy: 0.4376729786355976
Energy: 0.4826778870808873
Energy: 0.4077336666443642
Energy: 0.42357756552539577
Energy: 0.4582137530216738
Energy: 0.40770476886216434
Energy: 0.42953678057756006
Energy: 0.473201087117862
Energy: 0.407778010318036
Energy: 0.4077460779809642
Energy: 0.4742949828447695
Energy: 0.4089992528113243
Energy: 0.4074742754690862
Energy: 0.4786215378016315
Energy: 0.4080738425080781
Energy: 0.46484132378138676
Energy: 0.4710559537746764
Energy: 0.40784328685660076
Energy: 0.45359256303417655
Energy: 0.5641523710280133
Energy: 0.4594320584211704
Energy: 0.46100043195895973
Energy: 0.5652696827282817
Energy: 0.4488313207823508
Energy: 0.4601313267184558
Energy: 0.5804998562553007
Energy: 0.4220657780504508
Energy: 0.4230810237005335
Energy: 0.4705225298827904
Energy: 0.42197353100060775
Energy: 0.42242921218374163
Energy: 0.40900667565035864
Energy: 0.4658632697669302
Energy: 0.4519975614121237
Energy: 0.4634790567964646
Energy: 0.46338093510073525
Energy: 0.44340239802149867

minimum gb energy = 0.40692568461150447 eV
minimum distance =  2.62984944481151 Angstroms
sigma value = 57


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

Energy: 0.6565688240998768
Energy: 0.685031876149026
Energy: 0.5500104841772095
Energy: 0.5489998439690964
Energy: 0.6795147072348412
Energy: 0.5469505349101207
Energy: 0.4896410150471532
Energy: 0.4045522965934142
Energy: 0.4047031965222035
Energy: 0.4164045941452488
Energy: 0.4049840436494084
Energy: 0.4032989672745436
Energy: 0.47016479531222755
Energy: 0.4861898117248899
Energy: 0.40406721094963854
Energy: 0.4707902844146428
Energy: 0.43398107006943965
Energy: 0.40459408008348396
Energy: 0.4049266274007089
Energy: 0.40971654444335304
Energy: 0.40166982918133515
Energy: 0.4058885290385121
Energy: 0.43470834537888503
Energy: 0.40179970034617396
Energy: 0.41583778615221867
Energy: 0.4052419415310356
Energy: 0.40545413638576333
Energy: 0.41620219677441694
Energy: 0.4685101489750846
Energy: 0.4023738635154971
Energy: 0.41749639420231593
Energy: 0.4730039830847715
Energy: 0.47242599885516057
Energy: 0.41612006417073083
Energy: 0.4178170575397275
Energy: 0.40185912136099405
Energy: 0.46331139211648587
Energy: 0.432221876835485
Energy: 0.4283730269670752
Energy: 0.46409051577104676
Energy: 0.4340794511410936
Energy: 0.4718988653807113
Energy: 0.4894854107102394
Energy: 0.4102273061752427
Energy: 0.4026177478229658
Energy: 0.40515325885830683
Energy: 0.41624324205840313
Energy: 0.4021601233289767
Energy: 0.3841097057174702
Energy: 0.4056783300460199
Energy: 0.5399661567529067
Energy: 0.3841422107411035
Energy: 0.4052508577949538
Energy: 0.4187799056136136
Energy: 0.38438616399592357
Energy: 0.4052824688806533
Energy: 0.4189134057266242
Energy: 0.3843941499211911
Energy: 0.4731500479300213
Energy: 0.41808799239362077
Energy: 0.4895017669883295
Energy: 0.40985000095597524
Energy: 0.4101237872076204
Energy: 0.4061656388087555
Energy: 0.41634612579694663
Energy: 0.40200997443115916
Energy: 0.4059099505421575
Energy: 0.49562529950821466
Energy: 0.49611716471414447
Energy: 0.40524635612833
Energy: 0.49678812271435474
Energy: 0.46486821543605805
Energy: 0.4176097815380254
Energy: 0.4042844654218341
Energy: 0.41650107178112206
Energy: 0.417528737892544
Energy: 0.41700053989679836
Energy: 0.4569718682939609
Energy: 0.41639718629819705
Energy: 0.41630351427676615
Energy: 0.40535857629139693
Energy: 0.4974842806526541
Energy: 0.4700292337735975
Energy: 0.46394899631688896
Energy: 0.4184324228136565
Energy: 0.41807083263497635
Energy: 0.40504003308940834
Energy: 0.4162716525511286
Energy: 0.4198488368008231
Energy: 0.40364082799550044
Energy: 0.47008113095090376
Energy: 0.4182342117643666
Energy: 0.4160894686488509
Energy: 0.47095411545793053
Energy: 0.4202022289595572
Energy: 0.4044557966810981
Energy: 0.3842480015129889
Energy: 0.40469220178067644
Energy: 0.4046554797469645
Energy: 0.3843138864718353
Energy: 0.4044412841328209
Energy: 0.415302041551208

minimum gb energy = 0.3841097057174702 eV
minimum distance =  2.69394619311462 Angstroms
sigma value = 9


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

Energy: 0.7805108901995357
Energy: 0.49834634872169303
Energy: 0.6130662310067776
Energy: 0.557586938381559
Energy: 0.758609898902365
Energy: 0.6165550266896331
Energy: 0.5868395399478511
Energy: 0.4704727028718219
Energy: 0.4709918965411273
Energy: 0.48925261106089657
Energy: 0.47730643147227664
Energy: 0.468689750397746
Energy: 0.5243094628671566
Energy: 0.47689442893992945
Energy: 0.48048687161732273
Energy: 0.5247399499363297
Energy: 0.4757078959462481
Energy: 0.4739584859911243
Energy: 0.5221329543656401
Energy: 0.4714432428898624
Energy: 0.46996566689570946
Energy: 0.4825123658372407
Energy: 0.472683958492437
Energy: 0.4677844408124172
Energy: 0.4652503088221573
Energy: 0.4684775449649558
Energy: 0.46832092475730863
Energy: 0.4695238821686779
Energy: 0.47824226430716144
Energy: 0.470619100104615
Energy: 0.47130527676031475
Energy: 0.46423501385159877
Energy: 0.46240260455875626
Energy: 0.47242248660212927
Energy: 0.4697344299944231
Energy: 0.462036571700085
Energy: 0.548185336225317
Energy: 0.46201291983086235
Energy: 0.47404661720827357
Energy: 0.5481467654852632
Energy: 0.47070121102860085
Energy: 0.4732395285561882
Energy: 0.4774578445970225
Energy: 0.47847213159652335
Energy: 0.4749764490180648
Energy: 0.47753275887842017
Energy: 0.4848755683186028
Energy: 0.47523318724585994
Energy: 0.550523724310445
Energy: 0.47967628413074354
Energy: 0.47999929770787225
Energy: 0.4772209816727061
Energy: 0.48384849440553307
Energy: 0.47683756712680747
Energy: 0.5508228230609811
Energy: 0.4802876919248503
Energy: 0.4822074377202273
Energy: 0.475728518678204
Energy: 0.4987979246458987
Energy: 0.479041333043935
Energy: 0.4776959800104913
Energy: 0.4779689498602676
Energy: 0.47620550201248085
Energy: 0.47772046980806604
Energy: 0.4803175167821999
Energy: 0.4760718776444317
Energy: 0.4771553428666987
Energy: 0.4730835439920111
Energy: 0.4697268765720344
Energy: 0.47754162142350176
Energy: 0.47847092162618093
Energy: 0.47038943441284065
Energy: 0.5801861047250965
Energy: 0.5083707640567205
Energy: 0.4679353354380772
Energy: 0.4701902129282238
Energy: 0.5594684011021599
Energy: 0.4607464215570121
Energy: 0.5846412109631767
Energy: 0.4692720783888606
Energy: 0.4717438139263349
Energy: 0.4670296682355811
Energy: 0.5143365062411859
Energy: 0.4764776667666721
Energy: 0.48457229263805973
Energy: 0.4758218836606148
Energy: 0.4747302349252747
Energy: 0.4851858547350049
Energy: 0.4760966938581367
Energy: 0.4761889705962099
Energy: 0.5178525011207753
Energy: 0.4710137608426745
Energy: 0.4949492966878375
Energy: 0.5177431153254283
Energy: 0.48427113737535676
Energy: 0.4945786710793887
Energy: 0.5442863762163941
Energy: 0.46782786242585717
Energy: 0.4701703219803445
Energy: 0.47672436455972267
Energy: 0.5077667430450402
Energy: 0.47003084877364165
Energy: 0.5303599306448128
Energy: 0.5085892727768089
Energy: 0.5041036561804548
Energy: 0.4740916391893194
Energy: 0.5142533042411019
Energy: 0.46953188407195473
Energy: 0.5133514357408496
Energy: 0.4751515373083183
Energy: 0.47345725249675
Energy: 0.5140396662530601
Energy: 0.4835648247256167
Energy: 0.4691045181223391
Energy: 0.5148625535432038
Energy: 0.4756585639412057
Energy: 0.47422561538251995
Energy: 0.5150312557119876
Energy: 0.4782079902552126
Energy: 0.4696831939773745
Energy: 0.5189069421983995
Energy: 0.47297414769189616
Energy: 0.4699343363547044
Energy: 0.482869257834142
Energy: 0.4798502617952318
Energy: 0.4701123853436014

minimum gb energy = 0.4607464215570121 eV
minimum distance =  2.62962863343683 Angstroms
sigma value = 27


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

Energy: 0.5082119104252935
Energy: 0.6640639027305196
Energy: 0.45862270017535517
Energy: 0.4590954653588473
Energy: 0.683275800433193
Energy: 0.4722646675337502
Energy: 0.5202268973680665
Energy: 0.5226495351402036
Energy: 0.4819368833846334
Energy: 0.5253360608018111
Energy: 0.5295387592668501
Energy: 0.46849021959174825
Energy: 0.479556058295542
Energy: 0.4703313992359955
Energy: 0.46025590325774207
Energy: 0.4733445633560942
Energy: 0.44079624327278577
Energy: 0.4634137592945826
Energy: 0.4820147677140198
Energy: 0.4658515733517031
Energy: 0.4644363562569788
Energy: 0.48237525487950833
Energy: 0.45935202650344553
Energy: 0.4657982040837593
Energy: 0.45215478674175535
Energy: 0.48857931551698125
Energy: 0.49373185371930484
Energy: 0.45293681489927246
Energy: 0.4971420182386961
Energy: 0.49166972132269826
Energy: 0.47995250970795866
Energy: 0.4611560449307162
Energy: 0.4642523096574975
Energy: 0.4806987984697625
Energy: 0.47209546165418764
Energy: 0.4631034003415275
Energy: 0.49230970759844284
Energy: 0.41516834405803377
Energy: 0.4168935806553252
Energy: 0.4929769976170927
Energy: 0.4196902809247046
Energy: 0.417433249011497
Energy: 0.48753469781078995
Energy: 0.4206415545405054
Energy: 0.45476794122150155
Energy: 0.4878142899493732
Energy: 0.4164650864102028
Energy: 0.4557368738702611
Energy: 0.5540879024971059
Energy: 0.46741220421350294
Energy: 0.4645808681716341
Energy: 0.4568945157739266
Energy: 0.46558100327293084
Energy: 0.46451487953890436
Energy: 0.5479359495574467
Energy: 0.464690006462751
Energy: 0.4707609595994558
Energy: 0.4580317638503147
Energy: 0.47745875774136337
Energy: 0.47034309008347436
Energy: 0.4866387782337918
Energy: 0.46457115654611353
Energy: 0.46027650199770254
Energy: 0.48693284052965485
Energy: 0.45481781885209766
Energy: 0.46014464217060863
Energy: 0.5033724651827086
Energy: 0.4746401441399397
Energy: 0.4781437690449141
Energy: 0.5038285403563052
Energy: 0.4844646584844107
Energy: 0.4779035986321916
Energy: 0.418234021778031
Energy: 0.46970976826951283
Energy: 0.41534172165840655
Energy: 0.41969079825110184
Energy: 0.47613901816743215
Energy: 0.41514309164096574
Energy: 0.4155169568753897
Energy: 0.47034646038520556
Energy: 0.46975540544564787
Energy: 0.4156674666474126
Energy: 0.46996704558421637
Energy: 0.41548094294099785
Energy: 0.4652328288781938
Energy: 0.4737418594364395
Energy: 0.4763742360065956
Energy: 0.46593343448114105
Energy: 0.4746862228625637
Energy: 0.4778949581194768
Energy: 0.5004902480529541
Energy: 0.4965530507872575
Energy: 0.49577422546190614
Energy: 0.494676030038382
Energy: 0.5001501946082317
Energy: 0.49130385260227866
Energy: 0.45156725462994124
Energy: 0.46372951391529
Energy: 0.4810644246142073
Energy: 0.4516747791864715
Energy: 0.46391824307677043
Energy: 0.4824086883779504
Energy: 0.46944215585787563
Energy: 0.45788641389742274
Energy: 0.4587054214396958
Energy: 0.4575109874948189
Energy: 0.46638427797831544
Energy: 0.4582127115504837
Energy: 0.4893352117388886
Energy: 0.4156703578983563
Energy: 0.41528399189187354
Energy: 0.4899195332248527
Energy: 0.415906653007636
Energy: 0.41526825747200075
Energy: 0.494723886465467
Energy: 0.41556063709148416
Energy: 0.41529326540992634
Energy: 0.49517483738563206
Energy: 0.41581943593431253
Energy: 0.41524910684798944
Energy: 0.5387558259820788
Energy: 0.45955463257494183
Energy: 0.4815307217853247
Energy: 0.4712085930915283
Energy: 0.4725718325379537
Energy: 0.45894603296859854
Energy: 0.4409900715630837
Energy: 0.4914131723470366
Energy: 0.4920277933427978
Energy: 0.4409126133305065
Energy: 0.499141284339546
Energy: 0.4990540428118122
Energy: 0.5042637979757446
Energy: 0.4701549926207209
Energy: 0.4671277338426661
Energy: 0.48602685911302923
Energy: 0.46823945564751
Energy: 0.46688585486946577
Energy: 0.4932747803714961
Energy: 0.4635058187220936
Energy: 0.4615823606148256
Energy: 0.48886296237181764
Energy: 0.4674400125120753
Energy: 0.4605160302891073
Energy: 0.49138111758470154
Energy: 0.48666751465701613
Energy: 0.48551066140857124
Energy: 0.46205146700990224
Energy: 0.5004983931933699
Energy: 0.4558895063148407

minimum gb energy = 0.41514309164096574 eV
minimum distance =  2.64657588443531 Angstroms
sigma value = 19


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

Energy: 0.7128300396357657
Energy: 0.5327482511686458
Energy: 0.6482022846226552
Energy: 0.45770701051693524
Energy: 0.5328023297076414
Energy: 0.6480809827734525
Energy: 0.527355552032021
Energy: 0.44292504711644093
Energy: 0.45067710546579026
Energy: 0.5411201291062312
Energy: 0.4635017144093891
Energy: 0.4496668223154914
Energy: 0.5258744191730581
Energy: 0.4873546664093974
Energy: 0.48772270685113
Energy: 0.5261717551447839
Energy: 0.4880460945060153
Energy: 0.48800360333020026
Energy: 0.44754353383472306
Energy: 0.4522273668705941
Energy: 0.4525686033908639
Energy: 0.478395940435914
Energy: 0.4455029744696936
Energy: 0.44953514034877673
Energy: 0.4472019334256045
Energy: 0.49270890210353285
Energy: 0.4890884216025574
Energy: 0.4553090044694919
Energy: 0.5044439806114897
Energy: 0.48771390292931227
Energy: 0.4602804642543802
Energy: 0.48881656285089453
Energy: 0.4886755599299791
Energy: 0.4473320759593958
Energy: 0.5035707918558054
Energy: 0.4912821078746935
Energy: 0.47968662602940554
Energy: 0.44800765068322745
Energy: 0.47342892532530606
Energy: 0.5557859184292364
Energy: 0.446041194128365
Energy: 0.4735951264037472
Energy: 0.44936092978802883
Energy: 0.4490230904948386
Energy: 0.4541641419963551
Energy: 0.4543006619918855
Energy: 0.4613656156182336
Energy: 0.4498304658665089
Energy: 0.4364485430265553
Energy: 0.45371518671299954
Energy: 0.4508741101324515
Energy: 0.4362530913520078
Energy: 0.45173114415501664
Energy: 0.44989562280587686
Energy: 0.4363894232295399
Energy: 0.46387555871837255
Energy: 0.4673823072845784
Energy: 0.43674909632310904
Energy: 0.46504621519697564
Energy: 0.4514114744684723
Energy: 0.555870779165434
Energy: 0.5143647039651575
Energy: 0.516106159176274
Energy: 0.5569859362539271
Energy: 0.5143432928639663
Energy: 0.5145174067177084
Energy: 0.5218010676651641
Energy: 0.4227639659992249
Energy: 0.4389333157518608
Energy: 0.5218257260415592
Energy: 0.43854399088230495
Energy: 0.4408832883901167
Energy: 0.4560155965878683
Energy: 0.5112528979336944
Energy: 0.47192676294154906
Energy: 0.4851998681043115
Energy: 0.47261051442235463
Energy: 0.47170679948194
Energy: 0.48618032267777844
Energy: 0.422104891586206
Energy: 0.4218760224083279
Energy: 0.4470073157906921
Energy: 0.4221663126714957
Energy: 0.4790440969383515
Energy: 0.49518626939145405
Energy: 0.42309423798695966
Energy: 0.4387933521097636
Energy: 0.49517160072215666
Energy: 0.42214220155814175
Energy: 0.4408386029961549
Energy: 0.49485736819932896
Energy: 0.4302301054883416
Energy: 0.441067316969098
Energy: 0.49078695386900184
Energy: 0.42238138825388133
Energy: 0.44195247682672945
Energy: 0.44461086449103493
Energy: 0.5243035118529897
Energy: 0.4593228837254094
Energy: 0.5135165066419519
Energy: 0.5351189937511254
Energy: 0.4682957132111429
Energy: 0.46768933012450375
Energy: 0.5013912092171524
Energy: 0.44238831597906053
Energy: 0.43173232707956455
Energy: 0.49394453523158477
Energy: 0.4415476086810539
Energy: 0.49940673941679015
Energy: 0.4432798633511279
Energy: 0.44781729126847386
Energy: 0.5000976631459407
Energy: 0.4404696503439383
Energy: 0.46695127542759046
Energy: 0.4922265830555567
Energy: 0.4444633442177568
Energy: 0.447881563149145
Energy: 0.48479044694783124
Energy: 0.46409750099298225
Energy: 0.46675479334775594
Energy: 0.42190143475362746
Energy: 0.441808233289645
Energy: 0.44199387533993895
Energy: 0.42234393566481615
Energy: 0.47790703841010707
Energy: 0.44017628623446964
Energy: 0.4282514196828869
Energy: 0.44188108309383
Energy: 0.44070335016885237
Energy: 0.4219681814564798
Energy: 0.47691912039035966
Energy: 0.4391163630218907
Energy: 0.4877632613784889
Energy: 0.4562831824785231
Energy: 0.457158299409655
Energy: 0.4881606321201184
Energy: 0.45512510179754023
Energy: 0.46629123749283646
Energy: 0.4917466330499334
Energy: 0.45506914308213997
Energy: 0.427090637380726
Energy: 0.4893396127094644
Energy: 0.4327003940970901
Energy: 0.48973505244759813
Energy: 0.45702221114598096
Energy: 0.47128106377433626
Energy: 0.4535602322936838
Energy: 0.43861006258682433
Energy: 0.501652018839469
Energy: 0.4406770637331282
Energy: 0.4478036418805598
Energy: 0.5058178839272457
Energy: 0.4918143289816926
Energy: 0.48615404213788166
Energy: 0.5172026862518777
Energy: 0.48807270536018654
Energy: 0.5095233886968958
Energy: 0.44782752385323393
Energy: 0.449616352048003
Energy: 0.5098167417554035
Energy: 0.44105163081109006
Energy: 0.4520264312256385
Energy: 0.5094073747861598
Energy: 0.4429126212554377
Energy: 0.45267795210193695
Energy: 0.49018564257892966
Energy: 0.4421842556388168
Energy: 0.45475240694794977
Energy: 0.46763257974754197
Energy: 0.4913821205921341
Energy: 0.48282517988815704
Energy: 0.4310989151907815
Energy: 0.48889865740693395
Energy: 0.46426087048105275

minimum gb energy = 0.4218760224083279 eV
minimum distance =  2.64368177103779 Angstroms
sigma value = 101


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

Energy: 0.6317544067586205
Energy: 0.5512563019565001
Energy: 0.6665481367453651
Energy: 0.5452819074612161
Energy: 0.5564784987604887
Energy: 0.5477905720796424
Energy: 0.5395239290421378
Energy: 0.4238749353368644
Energy: 0.42720934188129167
Energy: 0.5171639010017938
Energy: 0.4461276134811949
Energy: 0.4252021638120148
Energy: 0.5391841471680218
Energy: 0.49873347604473195
Energy: 0.49961506319118487
Energy: 0.5401705431594604
Energy: 0.49566101317161365
Energy: 0.5003161048905206
Energy: 0.435642431012589
Energy: 0.4238629562815942
Energy: 0.4248547957222237
Energy: 0.43601167717260364
Energy: 0.42353319549456153
Energy: 0.424536711498385
Energy: 0.4299839566602947
Energy: 0.5053041977310071
Energy: 0.5003740401152452
Energy: 0.431659025680171
Energy: 0.5061390946369836
Energy: 0.44667454746953394
Energy: 0.4459857195521504
Energy: 0.4848988192110014
Energy: 0.425381113568947
Energy: 0.4458038152349908
Energy: 0.4902009361868933
Energy: 0.4254296304056564
Energy: 0.5218888922044691
Energy: 0.49880714189313163
Energy: 0.4987667226107804
Energy: 0.4468042590495872
Energy: 0.5221590948817438
Energy: 0.5214450310804236
Energy: 0.42573752908491097
Energy: 0.4251035904799551
Energy: 0.42515473530752834
Energy: 0.42582817515923294
Energy: 0.4270087780452659
Energy: 0.47875116066464596
Energy: 0.417332429497029
Energy: 0.4243201151872472
Energy: 0.4244196079819896
Energy: 0.418413803404243
Energy: 0.4235932186941798
Energy: 0.42435978795308577
Energy: 0.41579407633639165
Energy: 0.42476432315839896
Energy: 0.4250372333547988
Energy: 0.4159248675159815
Energy: 0.4768722972611633
Energy: 0.42546155691208354
Energy: 0.5990482023494117
Energy: 0.5462473127872725
Energy: 0.546353172368854
Energy: 0.600108226921841
Energy: 0.5462866484192759
Energy: 0.5482100958809155
Energy: 0.47302158049715803
Energy: 0.424281950503865
Energy: 0.4255157210357763
Energy: 0.47363567744143636
Energy: 0.44434623436614124
Energy: 0.42540526563227243
Energy: 0.4346719340105535
Energy: 0.5209979060589973
Energy: 0.4984232173153153
Energy: 0.49427305030407553
Energy: 0.5229248988288531
Energy: 0.49909482836201463
Energy: 0.4345713223295461
Energy: 0.43453258590479626
Energy: 0.43360801295639806
Energy: 0.43487224635550425
Energy: 0.4359690349186012
Energy: 0.42435003588595016
Energy: 0.5110412547215074
Energy: 0.42614825294733777
Energy: 0.42446531622376643
Energy: 0.512063045875663
Energy: 0.4222626748206926
Energy: 0.42189152590948836
Energy: 0.5109029485534071
Energy: 0.423131696304811
Energy: 0.42392080286194905
Energy: 0.4789163835200556
Energy: 0.42629583594682524
Energy: 0.4251201397257998
Energy: 0.6357186595051127
Energy: 0.5737291456014093
Energy: 0.4441106106907702
Energy: 0.5454717759919352
Energy: 0.6505127461634872
Energy: 0.5454153042210215
Energy: 0.5063646441740538
Energy: 0.4370114881991162
Energy: 0.4248096148701961
Energy: 0.48048835052010547
Energy: 0.43657625118373616
Energy: 0.4437471885745217
Energy: 0.544482052565212
Energy: 0.49858728759194276
Energy: 0.49842071430274726
Energy: 0.5076853870861037
Energy: 0.4159474517607982
Energy: 0.4987358911716529
Energy: 0.536078364363241
Energy: 0.42455731294330773
Energy: 0.4250020028132558
Energy: 0.536240321747574
Energy: 0.4162568907474351
Energy: 0.42572160111514246
Energy: 0.4316133616241881
Energy: 0.4998435788156092
Energy: 0.5016189231712305
Energy: 0.43191586622230227
Energy: 0.5044040251405778
Energy: 0.4430404892219451
Energy: 0.43531033748830655
Energy: 0.4244141684687443
Energy: 0.42495602759707635
Energy: 0.43534579347779656
Energy: 0.47714456377552944
Energy: 0.4243683031008721
Energy: 0.43582779003463545
Energy: 0.4969451932998274
Energy: 0.49739580728467114
Energy: 0.4369371334743729
Energy: 0.49544553380179546
Energy: 0.49748412143456494
Energy: 0.5175927777233134
Energy: 0.4164109213910814
Energy: 0.42716591913908086
Energy: 0.5249405758205162
Energy: 0.4405577045906315
Energy: 0.4997109355213852
Energy: 0.41557487355162065
Energy: 0.42543409461393394
Energy: 0.42575324206248283
Energy: 0.41580425053264114
Energy: 0.4245895631410966
Energy: 0.4248768126108855
Energy: 0.41721335208452287
Energy: 0.4241591714131921
Energy: 0.42416748537145627
Energy: 0.4175409009630902
Energy: 0.4236216691200073
Energy: 0.42501290097984123
Energy: 0.5208909247992307
Energy: 0.5464201022660102
Energy: 0.5463516141067659
Energy: 0.5217310639951331
Energy: 0.5463767233084936
Energy: 0.5463230391604194
Energy: 0.5367666716052697
Energy: 0.4002631941815489
Energy: 0.400875034263929
Energy: 0.5363001501773211
Energy: 0.4001346635858492
Energy: 0.4249495187203539
Energy: 0.43512271775961503
Energy: 0.49307072731959095
Energy: 0.42724836385318826
Energy: 0.4155842658206608
Energy: 0.5238914052075566
Energy: 0.43059152561865294
Energy: 0.43578388151137465
Energy: 0.4877862384531719
Energy: 0.42318442336646933
Energy: 0.4945605487599121
Energy: 0.4877463506329161
Energy: 0.4245220925651367
Energy: 0.5120578304566311
Energy: 0.4232758255755188
Energy: 0.42437860088373125
Energy: 0.5110850324998079
Energy: 0.41616237712914783
Energy: 0.4248499109985935
Energy: 0.5108289444232897
Energy: 0.42366049765277763
Energy: 0.4236711408258124
Energy: 0.4780375886139452
Energy: 0.4163544821285365
Energy: 0.4248919936451314
Energy: 0.43633908935773
Energy: 0.4771453850229421
Energy: 0.4550673780335589
Energy: 0.39964405661896946
Energy: 0.47734900393447505
Energy: 0.44099686487954776

minimum gb energy = 0.39964405661896946 eV
minimum distance =  2.60250127526388 Angstroms
sigma value = 33


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

Energy: 0.01154611497637248
Energy: 0.26515487331680115
Energy: 0.011905540874343317
Energy: 0.012921053617751102
Energy: 0.2631245099134612
Energy: 0.011852698250352385
Energy: 0.33048179135600964
Energy: 0.06647214581126647
Energy: 0.06607396512279291
Energy: 0.0654895877317032
Energy: 0.06542756682599427
Energy: 0.06586420085692922
Energy: 0.5308729440773111
Energy: 0.26405975196220277
Energy: 0.26375853580884645
Energy: 0.26340668467219763
Energy: 0.26335059184324044
Energy: 0.26338244352819257
Energy: 0.012064506596142869
Energy: 0.06647214581195539
Energy: 0.06607396512139536
Energy: 0.0654895877317032
Energy: 0.0654275668263289
Energy: 0.06586420085797247

minimum gb energy = 0.01154611497637248 eV
minimum distance =  2.82252594320107 Angstroms
sigma value = 1