Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=4.03330184519291
cohesive_energy=3.369970499585708
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=[2.11003458344532e-19, 2.71131545241918e-19, 3.12823385611866e-19, 3.50661991177044e-19, 3.8384947797372e-19, 4.10335059910374e-19, 4.31023966785216e-19, 4.47298877033388e-19, 4.60279712122056e-19, 4.71017499923124e-19, 4.80403050645096e-19, 4.89091654531278e-19, 4.974165643215419e-19, 5.052912624776519e-19, 5.125026595072859e-19, 5.18877720333972e-19, 5.24333131772742e-19, 5.28852872057256e-19, 5.32478597779998e-19, 5.352824068894979e-19, 5.37349214747358e-19, 5.387687432450819e-19, 5.396082838012979e-19, 5.39887062535614e-19, 5.39574638091984e-19, 5.38533223279884e-19, 5.36581772139672e-19, 5.3348476470615e-19, 5.289602178917339e-19, 5.22753385611618e-19, 5.14672006669722e-19, 5.045526590493779e-19, 4.92198275024604e-19, 4.773044410349399e-19, 4.593392344378979e-19, 4.37439082027752e-19, 4.1034146861691e-19, 3.76274386848168e-19, 3.32863410949938e-19, 2.7692501595046198e-19, 2.0357736964594197e-19, 1.06173041181912e-19, -2.1840551439361197e-20, -1.8532377125478e-19, -3.8892357137359796e-19, -6.429390636344939e-19, -9.67451929968024e-19, -1.3992305219478539e-18, -1.99746565314048e-18, -2.8607024017733397e-18, -4.1348173481955e-18, -6.115075624286819e-18, -9.49387388419674e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.010440524431990013
Energy: 0.011657365291569854
Energy: 0.011053712764708158
Energy: 0.012046430169254486
Energy: 0.22500979462673779
Energy: 0.010803674343824022
Energy: 0.011657365291065994
Energy: 0.051770312515750226
Energy: 0.05182787985497085
Energy: 0.05190968966824
Energy: 0.05172584316085521
Energy: 0.051907744069088164
Energy: 0.011053712763224562
Energy: 0.051827879854467
Energy: 0.05170088571642953
Energy: 0.010862749915531393
Energy: 0.05183476504021522
Energy: 0.052917955450560994
Energy: 0.012046430169254486
Energy: 0.05190968966874386
Energy: 0.01086274991502753
Energy: 0.010601540362015112
Energy: 0.05191293488611017
Energy: 0.010822960003021001
Energy: 0.22500979462623388
Energy: 0.05172584316135907
Energy: 0.051834765040719086
Energy: 0.051912934883394914
Energy: 0.05168351250261214
Energy: 0.051811113844086654
Energy: 0.01080367434284429
Energy: 0.05190774407054377
Energy: 0.05291795545081292
Energy: 0.010822960003021001
Energy: 0.051811113844086654
Energy: 0.011000413874717506

minimum gb energy = 0.010440524431990013 eV
minimum distance =  2.84402916611509 Angstroms
sigma value = 1


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

Energy: 0.6504046516067234
Energy: 0.49894353643865297
Energy: 0.4830307912942157
Energy: 0.49527820642976417
Energy: 0.45006270447637625
Energy: 0.48518741313655117
Energy: 0.6261232424123303
Energy: 0.45189945823416977
Energy: 0.4520511303911545
Energy: 0.48261750520500907
Energy: 0.45188760500218456
Energy: 0.4520830759257527
Energy: 0.6680292548002218
Energy: 0.4525384748975325
Energy: 0.4530109003472579
Energy: 0.4527193987633927
Energy: 0.45240446972806575
Energy: 0.4469212285484976
Energy: 0.6668079083384194
Energy: 0.4544937259944153
Energy: 0.46536426279764276
Energy: 0.46601178359545015
Energy: 0.454114106051395
Energy: 0.4632587464267714
Energy: 0.6178782840794632
Energy: 0.4851567165057451
Energy: 0.48542010553487447
Energy: 0.4893478681725564
Energy: 0.4847871721382818
Energy: 0.48586623545661645
Energy: 0.5959751430884582
Energy: 0.48675901606803695
Energy: 0.4856996648124541
Energy: 0.4827013836854977
Energy: 0.48562289739535575
Energy: 0.4856127718497378
Energy: 0.5966463399930894
Energy: 0.49088323408545026
Energy: 0.4910162798750245
Energy: 0.48620246398224215
Energy: 0.5065857685755412
Energy: 0.48733852985104215
Energy: 0.49459869765626524
Energy: 0.503715473542404
Energy: 0.5015596782501301
Energy: 0.5248083503900438
Energy: 0.497203644412954
Energy: 0.4897249018278283
Energy: 0.4967342969469851
Energy: 0.47835709153096256
Energy: 0.4816061602834184
Energy: 0.4926969366658384
Energy: 0.48596292649625106
Energy: 0.48125381399683254
Energy: 0.4956620885969667
Energy: 0.46729659026987913
Energy: 0.4675818634846518
Energy: 0.48627225190432394
Energy: 0.4781455341758538
Energy: 0.4683846624176612
Energy: 0.5065387788345107
Energy: 0.47725070611885717
Energy: 0.45910455602832073
Energy: 0.48930217039673424
Energy: 0.4769303716632692
Energy: 0.45222572805015554
Energy: 0.46009237439713074
Energy: 0.45624639317671895
Energy: 0.44661087430482455
Energy: 0.4606014286208654
Energy: 0.44919691630685105
Energy: 0.4466618867693717
Energy: 0.45673071964393624
Energy: 0.46138820481648724
Energy: 0.4520478837256951
Energy: 0.4567027488467299
Energy: 0.44973612309523775
Energy: 0.45238322155005073
Energy: 0.4660185535329215
Energy: 0.4669635600607775
Energy: 0.45591862577442765
Energy: 0.4521768344034041
Energy: 0.46625106839398067
Energy: 0.4500188024731169
Energy: 0.46553129028726764
Energy: 0.4514489942313503
Energy: 0.4517681184625262
Energy: 0.4641287389584192
Energy: 0.4627417743330194
Energy: 0.45217726622270904
Energy: 0.4700863335168864
Energy: 0.4562880776760477
Energy: 0.45421613981956654
Energy: 0.46947955894264104
Energy: 0.4550464731084876
Energy: 0.45436094074976136
Energy: 0.6150061186625452
Energy: 0.4891408246323064
Energy: 0.48201310549850956
Energy: 0.4794393430420771
Energy: 0.4859482956955903
Energy: 0.4558456376179316
Energy: 0.5399011146795032
Energy: 0.4965677000675539
Energy: 0.49587639373566095
Energy: 0.5053659542738098
Energy: 0.5168786938184479
Energy: 0.5000751003114206
Energy: 0.5388405562260354
Energy: 0.49927478406176634
Energy: 0.4930028281713934
Energy: 0.5031206355104088
Energy: 0.501777758239329
Energy: 0.4924461734468076
Energy: 0.5975657076655783
Energy: 0.5005609122443077
Energy: 0.49961243123295446
Energy: 0.5044170902639725
Energy: 0.502158911776021
Energy: 0.49703422949966847
Energy: 0.6307973260459763
Energy: 0.47734819088094826
Energy: 0.4743410579079903
Energy: 0.4789428962391922
Energy: 0.4747197795461821
Energy: 0.4744165943633031
Energy: 0.62580713326893
Energy: 0.46811606371836745
Energy: 0.46405981509258476
Energy: 0.461617891987092
Energy: 0.47011665455247936
Energy: 0.45323698418018
Energy: 0.626379536110327
Energy: 0.45208634517315316
Energy: 0.4519089150782996
Energy: 0.4726342882376154
Energy: 0.4630364619406293
Energy: 0.45173621891978

minimum gb energy = 0.44661087430482455 eV
minimum distance =  2.69231473132545 Angstroms
sigma value = 33


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

Energy: 0.7296052537768563
Energy: 0.49064810226643113
Energy: 0.49197552582983234
Energy: 0.4895080600918789
Energy: 0.6257151695062948
Energy: 0.48713395493235323
Energy: 0.669184326863028
Energy: 0.4629968592264493
Energy: 0.4587091471351798
Energy: 0.476748563883812
Energy: 0.4643271434618332
Energy: 0.45395891188298015
Energy: 0.6147734216571363
Energy: 0.4604247817606301
Energy: 0.45887109111155483
Energy: 0.47521934541336336
Energy: 0.4607018892347309
Energy: 0.45805095347495856
Energy: 0.6315464641124244
Energy: 0.47160620169247286
Energy: 0.4566639003937637
Energy: 0.4746196632203735
Energy: 0.48111060661944
Energy: 0.47443259594393483
Energy: 0.564330541636716
Energy: 0.4904158418727149
Energy: 0.48952222234682236
Energy: 0.5099613266203658
Energy: 0.4867629859704337
Energy: 0.4846511107020902
Energy: 0.6158211777954411
Energy: 0.4884826147909094
Energy: 0.48075984345302525
Energy: 0.4801227464855584
Energy: 0.4878933022035305
Energy: 0.47881517738033663
Energy: 0.6148493755489626
Energy: 0.49369016602504584
Energy: 0.4823758170309826
Energy: 0.48058032226946695
Energy: 0.4957168429783654
Energy: 0.4810040939579296
Energy: 0.6003848155923688
Energy: 0.49653127328618757
Energy: 0.49424029250502266
Energy: 0.5138431820096862
Energy: 0.4934817145698448
Energy: 0.4930948571470008
Energy: 0.5056890055164988
Energy: 0.49367502190190743
Energy: 0.492177213784204
Energy: 0.49207201116145033
Energy: 0.4933459803993554
Energy: 0.4921900589498192
Energy: 0.4989336240289483
Energy: 0.4640803390207269
Energy: 0.46663341627376387
Energy: 0.4891656152722144
Energy: 0.4883661742731385
Energy: 0.4526313381559494
Energy: 0.5099991203763178
Energy: 0.44513220892924227
Energy: 0.44252728913086603
Energy: 0.49240089725829694
Energy: 0.4353452266786022
Energy: 0.44294920087716727
Energy: 0.46935386591021483
Energy: 0.4349453123339264
Energy: 0.4562802005820505
Energy: 0.4689422075200271
Energy: 0.434977373010148
Energy: 0.4454151783423704
Energy: 0.46251252809752863
Energy: 0.4690821287115527
Energy: 0.4620478462220836
Energy: 0.4627816103305418
Energy: 0.46195105951996523
Energy: 0.46410871955086513
Energy: 0.5348388779400353
Energy: 0.47406281383722865
Energy: 0.47411219646531677
Energy: 0.4817165231901992
Energy: 0.4744725006286025
Energy: 0.47311387696729484
Energy: 0.5020085937746991
Energy: 0.4768030101384504
Energy: 0.47784522360510195
Energy: 0.4835322223220412
Energy: 0.4884218562808294
Energy: 0.4818077910054581
Energy: 0.504788077531929
Energy: 0.47503136950736696
Energy: 0.47328305163013096
Energy: 0.48715341459681605
Energy: 0.4761814969843028
Energy: 0.4789992701462989
Energy: 0.6188469129808125
Energy: 0.47734350571526896
Energy: 0.47680328199917177
Energy: 0.4806275078295278
Energy: 0.4782471930951499
Energy: 0.4810769498786901
Energy: 0.5408335506499504
Energy: 0.49494190384539943
Energy: 0.4928712553757556
Energy: 0.49324212248213956
Energy: 0.5121695785528212
Energy: 0.4938331029621496
Energy: 0.5429952446899694
Energy: 0.493133932450399
Energy: 0.4928504597288549
Energy: 0.4929788320952007
Energy: 0.4938515268368779
Energy: 0.49150404366994016
Energy: 0.5893984490028416
Energy: 0.4891129193010441
Energy: 0.4869805410696693
Energy: 0.5009763032708049
Energy: 0.4897116889494607
Energy: 0.4859533171184742
Energy: 0.6757858162518531
Energy: 0.466995055925885
Energy: 0.4457861234057615
Energy: 0.4421153440639511
Energy: 0.4667216370250131
Energy: 0.4450557748023805
Energy: 0.6724757970373684
Energy: 0.46302268620135084
Energy: 0.460480828476781
Energy: 0.43482106991803743
Energy: 0.47225190128357675
Energy: 0.45978987412567146
Energy: 0.5794339671201709
Energy: 0.46657431372958147
Energy: 0.46662968462169135
Energy: 0.46442000409201634
Energy: 0.46514721239092477
Energy: 0.4635004310513015
Energy: 0.629377820292343
Energy: 0.5201806335713756
Energy: 0.5230422010096178
Energy: 0.47209737756461345
Energy: 0.5196089392564796
Energy: 0.4875548012540234
Energy: 0.5820605356157698
Energy: 0.481352809666545
Energy: 0.4816811484172432
Energy: 0.5085445496153465
Energy: 0.48337178689860494
Energy: 0.47901748500604263
Energy: 0.6166979729956388
Energy: 0.48462563665720576
Energy: 0.4752747349743749
Energy: 0.47734537493480994
Energy: 0.48445777198656004
Energy: 0.4728687625048699
Energy: 0.6202148064129821
Energy: 0.4812490494526591
Energy: 0.4829932367348796
Energy: 0.47790698929385095
Energy: 0.4835980289469311
Energy: 0.48277144984191234
Energy: 0.5782550542229677
Energy: 0.49628984215701666
Energy: 0.4946065575800276
Energy: 0.5170071947238377
Energy: 0.4930415269877061
Energy: 0.4941881738320495
Energy: 0.5025442240426303
Energy: 0.496047243465867
Energy: 0.49426847182926065
Energy: 0.4938531386389536
Energy: 0.4935678786104056
Energy: 0.49369890452697407
Energy: 0.5000419060738858
Energy: 0.49390762602991667
Energy: 0.49080424411991774
Energy: 0.4876387375629695
Energy: 0.5085622205753786
Energy: 0.48530350920423104
Energy: 0.5622440472724175
Energy: 0.43857685953449327
Energy: 0.43882129168959894
Energy: 0.4653713874839842
Energy: 0.43125184505906705
Energy: 0.44475737545090965
Energy: 0.4688563248034249
Energy: 0.42966786393289286
Energy: 0.4292778577722218
Energy: 0.46914867653114695
Energy: 0.4335502305717296
Energy: 0.44602856853830297
Energy: 0.4639989520951505
Energy: 0.4799442502720866
Energy: 0.46486197653722955
Energy: 0.4626484062004542
Energy: 0.4783251366279442
Energy: 0.46264390636133046
Energy: 0.462200705914137
Energy: 0.4719189349999316
Energy: 0.5396418354188764
Energy: 0.46535788322801724
Energy: 0.4742604920774342
Energy: 0.5409977165856988
Energy: 0.49807794306886516
Energy: 0.46479034636388944
Energy: 0.4851731873777711
Energy: 0.48040017144575603
Energy: 0.4659335239625189
Energy: 0.4851503052823693
Energy: 0.49838163490189036
Energy: 0.4749429745752706
Energy: 0.47788433554182014
Energy: 0.4874856682102441
Energy: 0.4802521447023598
Energy: 0.4762702287871697
Energy: 0.49963744673397953
Energy: 0.49096652223639875
Energy: 0.4980998732558973
Energy: 0.4890040677870451
Energy: 0.49112834605133393
Energy: 0.4969397210809881
Energy: 0.5432356886550909
Energy: 0.49029021482035545
Energy: 0.489407979718056
Energy: 0.49289903488564996
Energy: 0.5046586483902359
Energy: 0.4872024331656438
Energy: 0.5402098943106197
Energy: 0.48541029689227905
Energy: 0.4874195503725955
Energy: 0.49323952203893884
Energy: 0.48582949319056556
Energy: 0.49357158188411815
Energy: 0.5802069116452888
Energy: 0.4850146854602507
Energy: 0.48552473868583795
Energy: 0.511903144453261
Energy: 0.4852906971921971
Energy: 0.48445076703378365
Energy: 0.6828055996339525
Energy: 0.4598429274573019
Energy: 0.44303739661477515
Energy: 0.4443829288846475
Energy: 0.46068341203027785
Energy: 0.4416294159557965

minimum gb energy = 0.4292778577722218 eV
minimum distance =  2.68642250668928 Angstroms
sigma value = 51


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

Energy: 0.6869228808545895
Energy: 0.5153987020041555
Energy: 0.5167312237281058
Energy: 0.46082259848624957
Energy: 0.5427756608913621
Energy: 0.4669502502670249
Energy: 0.610182358939453
Energy: 0.45462623887392695
Energy: 0.45277889566292273
Energy: 0.463907244047916
Energy: 0.45384445457606815
Energy: 0.4544495836747861
Energy: 0.6190536450952399
Energy: 0.4546239566436882
Energy: 0.45318288132364376
Energy: 0.4586280948408322
Energy: 0.4546604658637515
Energy: 0.45206157352845994
Energy: 0.6181636638813627
Energy: 0.4490156620484197
Energy: 0.44912026649826553
Energy: 0.47351485278126954
Energy: 0.449106041920585
Energy: 0.47899500577845794
Energy: 0.5748349367345158
Energy: 0.47956344795597955
Energy: 0.47920934319528535
Energy: 0.5067344601644249
Energy: 0.4919381155711555
Energy: 0.4792278490129199
Energy: 0.5256235377738758
Energy: 0.4918781401907264
Energy: 0.4832995471932745
Energy: 0.4914832893025217
Energy: 0.49181361191406187
Energy: 0.4755375139823243
Energy: 0.5255802482176536
Energy: 0.47575948770284765
Energy: 0.4791132506074172
Energy: 0.4915553458946232
Energy: 0.48643877030805227
Energy: 0.4921683534949639
Energy: 0.5397267315137807
Energy: 0.4406647757381406
Energy: 0.44105918977159075
Energy: 0.496559860489839
Energy: 0.44027796565416705
Energy: 0.4395350721458365
Energy: 0.4522813318805459
Energy: 0.442941268955824
Energy: 0.4414908202212579
Energy: 0.45232212928816856
Energy: 0.4439919557671886
Energy: 0.45287609284143104
Energy: 0.4557071228269284
Energy: 0.46419888857793123
Energy: 0.4563589373434111
Energy: 0.4557184530021263
Energy: 0.45165921231819633
Energy: 0.4539026340605232
Energy: 0.4556978852122118
Energy: 0.44740765481659694
Energy: 0.44728546051647405
Energy: 0.4542800911071607
Energy: 0.44733562426395673
Energy: 0.4498954515993909
Energy: 0.4675580385872537
Energy: 0.4661030558485784
Energy: 0.45378690984916875
Energy: 0.45360725119657314
Energy: 0.4989442857956371
Energy: 0.45520796696453386
Energy: 0.466259081983208
Energy: 0.46103953418769367
Energy: 0.46013670946256635
Energy: 0.4665362638431032
Energy: 0.4614349253967999
Energy: 0.46453060615599867
Energy: 0.4658277289679652
Energy: 0.4520846201987798
Energy: 0.4676630419486137
Energy: 0.4634985448499634
Energy: 0.46501084097264533
Energy: 0.4899986876271919
Energy: 0.563153676649592
Energy: 0.4640803828422652
Energy: 0.4640150922532537
Energy: 0.5008426443953737
Energy: 0.4751604631495466
Energy: 0.4596029268926846
Energy: 0.5630401959567409
Energy: 0.4658434850940777
Energy: 0.46338768921045104
Energy: 0.5019456749222135
Energy: 0.4657517845441726
Energy: 0.5029029266453592
Energy: 0.6242334051715959
Energy: 0.4664451080716936
Energy: 0.4657841061868647
Energy: 0.46116391952472247
Energy: 0.4662001576198283
Energy: 0.4649469533634767
Energy: 0.6739254500977554
Energy: 0.4532132827437616
Energy: 0.4551776832284549
Energy: 0.439310784686401
Energy: 0.45449958580908806
Energy: 0.4561845826929658

minimum gb energy = 0.439310784686401 eV
minimum distance =  2.68236861851946 Angstroms
sigma value = 19


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

Energy: 0.5913427424658754
Energy: 0.4124294271182971
Energy: 0.4101877441800446
Energy: 0.4108666586425107
Energy: 0.6065237730983309
Energy: 0.4102753895926502
Energy: 0.5913063811302426
Energy: 0.3996551437235213
Energy: 0.3995804994937033
Energy: 0.4180630257724683
Energy: 0.39982771657653976
Energy: 0.4012003090418044
Energy: 0.61948871765317
Energy: 0.4012683513637373
Energy: 0.40143850114044405
Energy: 0.40358568770000275
Energy: 0.4024226284378681
Energy: 0.40152180439743296
Energy: 0.48779754820750926
Energy: 0.40164104423107244
Energy: 0.4016451603613057
Energy: 0.4278984089312645
Energy: 0.40160411417754033
Energy: 0.4014837648514717
Energy: 0.4959692359349311
Energy: 0.41550721261301005
Energy: 0.415738953061712
Energy: 0.4184836705145191
Energy: 0.4158299517186957
Energy: 0.41534572239608997
Energy: 0.49505465176169705
Energy: 0.3840149100795053
Energy: 0.4149215685834375
Energy: 0.41517088209206426
Energy: 0.38665363979721373
Energy: 0.43311974625429683
Energy: 0.4961790746943353
Energy: 0.41534803777306667
Energy: 0.4184523291903833
Energy: 0.4152652336001219
Energy: 0.39284936329768305
Energy: 0.4184575513860927
Energy: 0.45550975920677544
Energy: 0.385559950792642
Energy: 0.38989199684342085
Energy: 0.456386511147291
Energy: 0.38663225635901244
Energy: 0.3890770087457502
Energy: 0.40154242569087717
Energy: 0.3887611634220334
Energy: 0.3889163849975997
Energy: 0.4013952942492419
Energy: 0.3886996688137997
Energy: 0.3874932706091054
Energy: 0.40238217570832135
Energy: 0.3999060566583937
Energy: 0.399889646604602
Energy: 0.4027570559082081
Energy: 0.41945588115208854
Energy: 0.39964832892793306
Energy: 0.40099918549725694
Energy: 0.43940903606792153
Energy: 0.4398494218629221
Energy: 0.4008856355052786
Energy: 0.4386435070613452
Energy: 0.401421386291953
Energy: 0.4954297477592469
Energy: 0.4144597621249338
Energy: 0.4158237366905572
Energy: 0.3995407329907241
Energy: 0.4189108550488048
Energy: 0.3996723386866752
Energy: 0.3876182458879801
Energy: 0.41858785337901416
Energy: 0.4192880283425011
Energy: 0.384470412357334
Energy: 0.4184841895745051
Energy: 0.41500310964828835
Energy: 0.49547173598168215
Energy: 0.43623463524988093
Energy: 0.43528608088072895
Energy: 0.3995969058073553
Energy: 0.4154056000585853
Energy: 0.4148082425877874
Energy: 0.5907122734924348
Energy: 0.4012922586995452
Energy: 0.3996820144405416
Energy: 0.39031664623216344
Energy: 0.4012957556995511
Energy: 0.386693260750023
Energy: 0.5952404102067557
Energy: 0.4012904156525943
Energy: 0.3886849250693709
Energy: 0.3869682944395999
Energy: 0.40104760811175816
Energy: 0.3900291025284985
Energy: 0.49586714759937167
Energy: 0.39972533380994496
Energy: 0.3997953751353564
Energy: 0.4196584439253399
Energy: 0.40140769082035677
Energy: 0.39959674515774635
Energy: 0.4898861672804651
Energy: 0.40095394952348656
Energy: 0.40152268040734274
Energy: 0.4125409936689698
Energy: 0.40101463307917656
Energy: 0.4017500807479503
Energy: 0.49007143055518027
Energy: 0.40100217544626515
Energy: 0.4015010123242317
Energy: 0.41271067231071196
Energy: 0.4015069321546372
Energy: 0.4000903326230143
Energy: 0.4957325644964904
Energy: 0.38362273524334145
Energy: 0.41513839086635534
Energy: 0.41817605368455985
Energy: 0.3836862994740656
Energy: 0.41483761547272174
Energy: 0.49632375776465004
Energy: 0.41632497060965545
Energy: 0.41482798322325537
Energy: 0.4340973780955095
Energy: 0.41632248467422506
Energy: 0.4157083855202771
Energy: 0.49584975304591267
Energy: 0.4164291801438278
Energy: 0.41597006137518083
Energy: 0.4181214496365489
Energy: 0.3936725989310956
Energy: 0.41629564680500364
Energy: 0.45633203774896863
Energy: 0.3836236841178812
Energy: 0.4107557095111749
Energy: 0.45649127491304453
Energy: 0.3863696760731628
Energy: 0.4105760042357197
Energy: 0.39990965422856745
Energy: 0.4008917135420748
Energy: 0.39947632659963866
Energy: 0.39980337632383267
Energy: 0.40832174485896605
Energy: 0.3997457701851507
Energy: 0.40142904966676485
Energy: 0.40002806428327903
Energy: 0.3999316912288941
Energy: 0.4015713484536192
Energy: 0.3997935200898682
Energy: 0.401180647409331
Energy: 0.4570478257365984
Energy: 0.42796049433111266
Energy: 0.4103070199038805
Energy: 0.4008143096623784
Energy: 0.42838860777205534
Energy: 0.4019362410405635
Energy: 0.49527387430374314
Energy: 0.4155171615368788
Energy: 0.41472227837222625
Energy: 0.4151050304666064
Energy: 0.4187578506953171
Energy: 0.4165596162290135
Energy: 0.38752935277285994
Energy: 0.4147170834498769
Energy: 0.43327297223295275
Energy: 0.3864078593164846
Energy: 0.4152498422290958
Energy: 0.4187177291416394
Energy: 0.4626107502531772
Energy: 0.4347657086026617
Energy: 0.43257395491388734
Energy: 0.39378150569198955
Energy: 0.4152272545184158
Energy: 0.4183227739366181
Energy: 0.5903482262567836
Energy: 0.40220574603424364
Energy: 0.38889337205455865
Energy: 0.38358762023837756
Energy: 0.4009880705601756
Energy: 0.38980461244445863

minimum gb energy = 0.38358762023837756 eV
minimum distance =  2.726822913977 Angstroms
sigma value = 27


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

Energy: 0.5167639724754196
Energy: 0.5190528621084677
Energy: 0.5192250584206013
Energy: 0.442438780067021
Energy: 0.4304253944801454
Energy: 0.5113958552986462
Energy: 0.5865462230905902
Energy: 0.42936621862915064
Energy: 0.43028696579182185
Energy: 0.43537542166238646
Energy: 0.42928960218048734
Energy: 0.43072052081203555
Energy: 0.624639899764964
Energy: 0.4297879833031626
Energy: 0.42959102149842965
Energy: 0.4483363224577516
Energy: 0.4313024142408332
Energy: 0.42975723054964865
Energy: 0.5638007102622462
Energy: 0.42957232547397023
Energy: 0.4295145062949892
Energy: 0.4321750981670242
Energy: 0.42784553354627436
Energy: 0.4277310009790066
Energy: 0.5093715002453201
Energy: 0.39473218067429133
Energy: 0.431401321470129
Energy: 0.4300317149760331
Energy: 0.39406048632572804
Energy: 0.4277061389304497
Energy: 0.42942424780257316
Energy: 0.39119126694791007
Energy: 0.3918249861731906
Energy: 0.42942355489372
Energy: 0.3915640820779297
Energy: 0.396334689772774
Energy: 0.4303695949511024
Energy: 0.45122827519017694
Energy: 0.43142279284312446
Energy: 0.4304833120037406
Energy: 0.45172406894007966
Energy: 0.43015915214526523
Energy: 0.4300475370949172
Energy: 0.42696774699488604
Energy: 0.42749964716144745
Energy: 0.4300644039175032
Energy: 0.4278073623056405
Energy: 0.4269540637006653
Energy: 0.4584760361661027
Energy: 0.42769960578045335
Energy: 0.4385206520993237
Energy: 0.4302388239578642
Energy: 0.45749456661408944
Energy: 0.43051163714223467
Energy: 0.3956226734341594
Energy: 0.41381234179164594
Energy: 0.4126501259824633
Energy: 0.42776790849080687
Energy: 0.4109047685881021
Energy: 0.41314763459501447
Energy: 0.4583105195037455
Energy: 0.42809621416053795
Energy: 0.4286332399479344
Energy: 0.425361274385423
Energy: 0.42742261925779834
Energy: 0.4279753930806271
Energy: 0.5865462232078211
Energy: 0.41280134317392686
Energy: 0.41312427101800225
Energy: 0.42096797600261887
Energy: 0.4135532335940019
Energy: 0.415622690559587

minimum gb energy = 0.39119126694791007 eV
minimum distance =  2.67542338170922 Angstroms
sigma value = 9


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

Energy: 0.7457425240692869
Energy: 0.47899689684784763
Energy: 0.5682891298758248
Energy: 0.4837795357655583
Energy: 0.3948215314882413
Energy: 0.5683205671449912
Energy: 0.5356198552423739
Energy: 0.39407779841172413
Energy: 0.3948482353002694
Energy: 0.4009707939304668
Energy: 0.39382939952851664
Energy: 0.39177822850653043
Energy: 0.5135102612413754
Energy: 0.3950157887022231
Energy: 0.39548033553097406
Energy: 0.4183174229961082
Energy: 0.3942070386567175
Energy: 0.3916419159745587
Energy: 0.5136030042691013
Energy: 0.3995743028729931
Energy: 0.3994578694714758
Energy: 0.4075073255036682
Energy: 0.4310593661736067
Energy: 0.4017955873839861
Energy: 0.5492506306629097
Energy: 0.4165006522776124
Energy: 0.4389364348926654
Energy: 0.40908764488516836
Energy: 0.43564725626556
Energy: 0.42782981785360885
Energy: 0.40834888491257776
Energy: 0.42722653878483086
Energy: 0.42887259909864556
Energy: 0.4074685963092034
Energy: 0.4001975052741869
Energy: 0.40389398193179843
Energy: 0.40858047330812336
Energy: 0.44455708742684746
Energy: 0.44014643338946624
Energy: 0.40953894846179983
Energy: 0.4202944693227825
Energy: 0.4284288288611526
Energy: 0.41648307507923177
Energy: 0.41327728309030765
Energy: 0.4153587730534027
Energy: 0.41645663406933375
Energy: 0.40742921529818255
Energy: 0.4157355063748346
Energy: 0.5613960322143539
Energy: 0.412696843367021
Energy: 0.4137592701843329
Energy: 0.40939630421294865
Energy: 0.426301877807237
Energy: 0.439250431076276
Energy: 0.5791168628671465
Energy: 0.4210180482110426
Energy: 0.4213293592247536
Energy: 0.397672851540117
Energy: 0.42109417149257394
Energy: 0.4434452780945407
Energy: 0.5729490533857681
Energy: 0.409733564008595
Energy: 0.4078997255335648
Energy: 0.41749145021827755
Energy: 0.4099182495794183
Energy: 0.40841028685374964
Energy: 0.5555087467405273
Energy: 0.4085686360206099
Energy: 0.4080618488538195
Energy: 0.40696411480014477
Energy: 0.4090079375129963
Energy: 0.4275848120345576
Energy: 0.6673119356003575
Energy: 0.4096291167236065
Energy: 0.5122103774882717
Energy: 0.4411783279784326
Energy: 0.40829340209177784
Energy: 0.5120183008205518
Energy: 0.5543198674505726
Energy: 0.4077394333375968
Energy: 0.4081933169719607
Energy: 0.39565480607501546
Energy: 0.40818618598820433
Energy: 0.40793383245324766
Energy: 0.39903560538200766
Energy: 0.4236450499682685
Energy: 0.4184716594366064
Energy: 0.3990510703913179
Energy: 0.4252086280981675
Energy: 0.40562655902328876
Energy: 0.3947249587486742
Energy: 0.410093352994852
Energy: 0.41983038276796414
Energy: 0.39558629018229413
Energy: 0.424148354243022
Energy: 0.39233496297712245
Energy: 0.3950191957759938
Energy: 0.40913527582680087
Energy: 0.4380346632216834
Energy: 0.3949019406753449
Energy: 0.4472420194382424
Energy: 0.39669082133564204
Energy: 0.46353586001594305
Energy: 0.447308573264445
Energy: 0.4355222404975691
Energy: 0.3951090114132769
Energy: 0.4259393128066123
Energy: 0.42811468457926655
Energy: 0.411449645477723
Energy: 0.39262364389325083
Energy: 0.39141058742769186
Energy: 0.39853807515022277
Energy: 0.4066943071718275
Energy: 0.3842470846276058
Energy: 0.4092521049398879
Energy: 0.3939576955126082
Energy: 0.4035634100895802
Energy: 0.4009095923075896
Energy: 0.4003000075882503
Energy: 0.39384970444907647
Energy: 0.4090215863217414
Energy: 0.3931306793029891
Energy: 0.39354494395862016
Energy: 0.3976631902060247
Energy: 0.39315138576748243
Energy: 0.3843896715693184
Energy: 0.5895078730559163
Energy: 0.39432147054270816
Energy: 0.41213581766864066
Energy: 0.4406190379131352
Energy: 0.3956780409357473
Energy: 0.4329738819166625
Energy: 0.59318522144665
Energy: 0.39546643304298695
Energy: 0.39526416966548567
Energy: 0.4687296198821018
Energy: 0.3946727934355861
Energy: 0.41221792511093097
Energy: 0.5115300206562531
Energy: 0.3950587872726073
Energy: 0.39352444388403446
Energy: 0.41208459559215505
Energy: 0.39538712721961283
Energy: 0.3917565654853601
Energy: 0.5161571039137275
Energy: 0.3994598060875076
Energy: 0.40558576389716555
Energy: 0.39255926189696205
Energy: 0.3992764036762664
Energy: 0.40562454061024783
Energy: 0.41020997206845494
Energy: 0.41524684511521703
Energy: 0.4500608535445117
Energy: 0.40835135414045043
Energy: 0.4194382677275378
Energy: 0.42800056881023
Energy: 0.4531405708618205
Energy: 0.4412160409226389
Energy: 0.45194620892275256
Energy: 0.5377197663992384
Energy: 0.4441780097933361
Energy: 0.4718284507678754
Energy: 0.4085629533121169
Energy: 0.4230094252716307
Energy: 0.4392578175695055
Energy: 0.4085648888809506
Energy: 0.4080103624501594
Energy: 0.4083623902238967
Energy: 0.4089897183173098
Energy: 0.4369636446127001
Energy: 0.4471670881500573
Energy: 0.41008924376830563
Energy: 0.4338242564312419
Energy: 0.4079771771271711
Energy: 0.5362806353892404
Energy: 0.40019558491848173
Energy: 0.42482937310768787
Energy: 0.421711514878352
Energy: 0.4087023322650593
Energy: 0.44741843684163574
Energy: 0.5731973899876982
Energy: 0.4190990834844464
Energy: 0.41997568988939005
Energy: 0.4169982970108423
Energy: 0.4229316837923064
Energy: 0.4337728376922967
Energy: 0.5793588282240818
Energy: 0.4084520033493011
Energy: 0.4079348204584642
Energy: 0.39793801613706287
Energy: 0.40776405558453493
Energy: 0.43099412166047946
Energy: 0.5554043153182534
Energy: 0.40795734989823107
Energy: 0.40795914421637614
Energy: 0.408752103780747
Energy: 0.40943047776844943
Energy: 0.4391563318258071
Energy: 0.5903510072901699
Energy: 0.40830244801036925
Energy: 0.4088862225900921
Energy: 0.4244184830122634
Energy: 0.4092089291262872
Energy: 0.44905486193457117
Energy: 0.5838278590516193
Energy: 0.40791710510756457
Energy: 0.40769945385275513
Energy: 0.44229818002172305
Energy: 0.40768840019800473
Energy: 0.42712141324622926
Energy: 0.4452388678236665
Energy: 0.3940125646700692
Energy: 0.39864222360439605
Energy: 0.4173645289248399
Energy: 0.42510041856453257
Energy: 0.4004178288704008
Energy: 0.39454229147871217
Energy: 0.41021408576531043
Energy: 0.4100791722438439
Energy: 0.395119377787125
Energy: 0.4145400442100719
Energy: 0.3914576848693004
Energy: 0.39621690238170154
Energy: 0.42028647583598033
Energy: 0.3915401756720372
Energy: 0.39536606023756127
Energy: 0.4013729224609469
Energy: 0.39187609885816954
Energy: 0.553382428672171
Energy: 0.5020715145032509
Energy: 0.5099426040214222
Energy: 0.5567464944451196
Energy: 0.5048403717381015
Energy: 0.48103562186568344
Energy: 0.40835323244978183
Energy: 0.40078615452780414
Energy: 0.3920338628936483
Energy: 0.3954319594656444
Energy: 0.41013508764645373
Energy: 0.3949559192052327
Energy: 0.4091189161398222
Energy: 0.3927819696119214
Energy: 0.40117899731544016
Energy: 0.40534484704116325
Energy: 0.3945659728454436
Energy: 0.40675683947159924
Energy: 0.4085970309475091
Energy: 0.39412944612840617
Energy: 0.39137496850309883
Energy: 0.3928797104382273
Energy: 0.4009065369380361
Energy: 0.3844405611739923
Energy: 0.5921477507616347
Energy: 0.39453157125535165
Energy: 0.3950746748267028
Energy: 0.4677558172222556
Energy: 0.39497243344470306
Energy: 0.4120747134621446

minimum gb energy = 0.3842470846276058 eV
minimum distance =  2.64521874623699 Angstroms
sigma value = 57


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

Energy: 0.26531331271029757
Energy: 0.27699168135455693
Energy: 0.2309241801964465
Energy: 0.21645833979837287
Energy: 0.5498734952283709
Energy: 0.2746203373399618
Energy: 0.2657072953316751
Energy: 0.30041212439125353
Energy: 0.30995758529461387
Energy: 0.2995898271351632
Energy: 0.2934467795713822
Energy: 0.3235156054696158
Energy: 0.3416194609725281
Energy: 0.3270842553521334
Energy: 0.3234112292053919
Energy: 0.3343113328122925
Energy: 0.3209178565894198
Energy: 0.31761626291024775
Energy: 0.34421333655913394
Energy: 0.3289776410414768
Energy: 0.34646072467560185
Energy: 0.34480818742284625
Energy: 0.3526277996508861
Energy: 0.32258298196515917
Energy: 0.3446633096720613
Energy: 0.22879397029547757
Energy: 0.22863137641000197
Energy: 0.36328232962347035
Energy: 0.2268582796435194
Energy: 0.32886217999224776
Energy: 0.3289838251865712
Energy: 0.234467608236777
Energy: 0.22980764133665574
Energy: 0.33900387927585524
Energy: 0.21523140541911956
Energy: 0.22862592574341578
Energy: 0.3292655862696333
Energy: 0.3184344175046048
Energy: 0.33342664370965264
Energy: 0.3321414516503605
Energy: 0.3214591186544545
Energy: 0.33473580836144207
Energy: 0.329108631317003
Energy: 0.3310428330193339
Energy: 0.3295174178546953
Energy: 0.32950429968878614
Energy: 0.33243202380286274
Energy: 0.3390402241370338
Energy: 0.3544236215716417
Energy: 0.33537152435628254
Energy: 0.33238798500577355
Energy: 0.33380564557749864
Energy: 0.3371124416865722
Energy: 0.3337689425446698
Energy: 0.2150164503224217
Energy: 0.3520103007630438
Energy: 0.23038812656426383
Energy: 0.21515054270242648
Energy: 0.3579552704265151
Energy: 0.22966391069573425
Energy: 0.21507362589719334
Energy: 0.33288644920637245
Energy: 0.33671945646867135
Energy: 0.21541382480549431
Energy: 0.33744375432035817
Energy: 0.22842382782306542
Energy: 0.3563011091977839
Energy: 0.33671325849949196
Energy: 0.3258995935204329
Energy: 0.3297650276293986
Energy: 0.3332066856594544
Energy: 0.327553022759915
Energy: 0.3538634680288879
Energy: 0.3517952606572373
Energy: 0.35162249240109494
Energy: 0.34576260756392513
Energy: 0.35150833551188254
Energy: 0.3413322448650251
Energy: 0.3550469106659273
Energy: 0.3417342780794854
Energy: 0.3403881725011287
Energy: 0.33361774259200094
Energy: 0.33523794616985
Energy: 0.33457058288641406
Energy: 0.3461895315818795
Energy: 0.2153596149532838
Energy: 0.2308152168068469
Energy: 0.35019650134836267
Energy: 0.21834255055393062
Energy: 0.23060195312948276
Energy: 0.32060164622171766
Energy: 0.32962238628376744
Energy: 0.3382197033858862
Energy: 0.3412796871180414
Energy: 0.22600092568914598
Energy: 0.32053364333916945
Energy: 0.3193132990971307
Energy: 0.31858219116260816
Energy: 0.33402472077614914
Energy: 0.33621205262221837
Energy: 0.3347797185271559
Energy: 0.3166517307401354
Energy: 0.3415202589747891
Energy: 0.3274379736694308
Energy: 0.3297365753193115
Energy: 0.32675040692047386
Energy: 0.33135621553717076
Energy: 0.32356444496203984
Energy: 0.2655267217154312
Energy: 0.2938408848507922
Energy: 0.30323230880536634
Energy: 0.21556937359338935
Energy: 0.29356426869189584
Energy: 0.3177536206245689

minimum gb energy = 0.2150164503224217 eV
minimum distance =  2.70038706181556 Angstroms
sigma value = 11


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

Energy: 0.6242946334925125
Energy: 0.7173427876265382
Energy: 0.6019641929827338
Energy: 0.5020353118352663
Energy: 0.6182673562258717
Energy: 0.601872243415629
Energy: 0.5090873107776253
Energy: 0.3921309777212344
Energy: 0.38627682630324106
Energy: 0.3856556855828536
Energy: 0.38988584653382585
Energy: 0.38139283175017086
Energy: 0.3743414719042679
Energy: 0.3789425080978285
Energy: 0.37872153785593643
Energy: 0.375448503787571
Energy: 0.378260186696759
Energy: 0.3831864780356419
Energy: 0.37461331003205434
Energy: 0.3883924677930595
Energy: 0.3799185199661918
Energy: 0.3758150414571968
Energy: 0.38736846144107634
Energy: 0.3831946149738307
Energy: 0.37524057441411635
Energy: 0.3854474872008401
Energy: 0.39095827973548286
Energy: 0.3850200461022735
Energy: 0.4452021303066917
Energy: 0.38619603828170174
Energy: 0.46811570888823695
Energy: 0.440741671878928
Energy: 0.43974711971569697
Energy: 0.3871234628888258
Energy: 0.45451440808606625
Energy: 0.37624073836763633
Energy: 0.45246924741429106
Energy: 0.3926384809358112
Energy: 0.3917808231470862
Energy: 0.37744909340531424
Energy: 0.3886166072182727
Energy: 0.38381756386681853
Energy: 0.39113176231029095
Energy: 0.39034823627997245
Energy: 0.4003495110617216
Energy: 0.39145592799994317
Energy: 0.3888801901026432
Energy: 0.4152599828973939
Energy: 0.47027428479655886
Energy: 0.3802087556069106
Energy: 0.3865929220845714
Energy: 0.3904000604471845
Energy: 0.3764165264342442
Energy: 0.38573286961911846
Energy: 0.5438338151360542
Energy: 0.3992680522537551
Energy: 0.37588094218018
Energy: 0.45576291975270783
Energy: 0.39976815753804107
Energy: 0.377155347875863
Energy: 0.5693366047189651
Energy: 0.3788479937045205
Energy: 0.3797550863283649
Energy: 0.3884694079010821
Energy: 0.3765878336025879
Energy: 0.3931297978884883
Energy: 0.5298806212322921
Energy: 0.374735248994768
Energy: 0.3848675411023229
Energy: 0.41959868809717404
Energy: 0.36400984373013634
Energy: 0.386347508909259
Energy: 0.43266750742603444
Energy: 0.37399353083464365
Energy: 0.40825377820456443
Energy: 0.4333016075744092
Energy: 0.37003880343868845
Energy: 0.3991802749065595
Energy: 0.42361861336175877
Energy: 0.37897934627996593
Energy: 0.3848659130599549
Energy: 0.38294551562555396
Energy: 0.3772355129745268
Energy: 0.3855890024755539
Energy: 0.554031822416397
Energy: 0.45921545062587743
Energy: 0.45933734237551965
Energy: 0.5548970145835154
Energy: 0.45828521651716714
Energy: 0.5535160036490476
Energy: 0.5583835379949689
Energy: 0.37975355802531846
Energy: 0.38575417422867464
Energy: 0.37353903261291604
Energy: 0.3783182648802407
Energy: 0.3849018673923044
Energy: 0.48175611273735186
Energy: 0.47647369505153137
Energy: 0.5142373320664442
Energy: 0.4095216078147547
Energy: 0.47245790983626695
Energy: 0.4754116681326497
Energy: 0.5647401513479796
Energy: 0.37743625988622
Energy: 0.3825171384368768
Energy: 0.38416181740491434
Energy: 0.4082202614273995
Energy: 0.38964813745840526
Energy: 0.5450875975434316
Energy: 0.38718539653280926
Energy: 0.39550997970610424
Energy: 0.37598838022976144
Energy: 0.43259015291559044
Energy: 0.384279883038506
Energy: 0.43365735545400547
Energy: 0.47375647297781637
Energy: 0.4674000753781746
Energy: 0.42519937212856745
Energy: 0.4617747363788804
Energy: 0.4293702634607314
Energy: 0.5556150498279346
Energy: 0.3883295577464878
Energy: 0.3900185634313313
Energy: 0.3723308316290319
Energy: 0.38221584730144026
Energy: 0.38853100807865265
Energy: 0.5016144508591578
Energy: 0.5034749716754356
Energy: 0.509597409235641
Energy: 0.5023400237410305
Energy: 0.5030590620043808
Energy: 0.6044197986402515
Energy: 0.3919845989731231
Energy: 0.3973432537497905
Energy: 0.38867125924578905
Energy: 0.3762816864630375
Energy: 0.39461635016654406
Energy: 0.38772509600114874
Energy: 0.3883706687927744
Energy: 0.38226150905847117
Energy: 0.4091720343230896
Energy: 0.38928141084548773
Energy: 0.3790480673008864
Energy: 0.4060491108781189
Energy: 0.4417508582969171
Energy: 0.379474968778549
Energy: 0.3788626907051281
Energy: 0.4136551333854797
Energy: 0.3764021194714508
Energy: 0.38074480190983506
Energy: 0.5692762103956628
Energy: 0.3906198667245122
Energy: 0.3861686294861911
Energy: 0.3807573230688302
Energy: 0.3949539206101621
Energy: 0.39738564622668254

minimum gb energy = 0.36400984373013634 eV
minimum distance =  2.64623248531066 Angstroms
sigma value = 41


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

Energy: 0.6020618345783566
Energy: 0.6295150368645708
Energy: 0.6290815232308251
Energy: 0.47099977220123035
Energy: 0.7302190689658528
Energy: 0.47113775385512124
Energy: 0.6310528898853104
Energy: 0.3992211109183502
Energy: 0.4018436562001247
Energy: 0.42075717744092483
Energy: 0.4096517883694977
Energy: 0.4060718352326601
Energy: 0.401852298436678
Energy: 0.4027695326752936
Energy: 0.40052557933656685
Energy: 0.40315448756189465
Energy: 0.4076912855539735
Energy: 0.39705857898852126
Energy: 0.40200052843482176
Energy: 0.4112055768953187
Energy: 0.40284737678614496
Energy: 0.4031392532995969
Energy: 0.40285065824993316
Energy: 0.4054425323806396
Energy: 0.40659975993715214
Energy: 0.42148233401289037
Energy: 0.4236731545542477
Energy: 0.4237841988837031
Energy: 0.46681864016135743
Energy: 0.41849845302902944
Energy: 0.5833234144315879
Energy: 0.4461147041815781
Energy: 0.4415065699451975
Energy: 0.4675598489758008
Energy: 0.4477612893144431
Energy: 0.4404087094611735
Energy: 0.5225803451511116
Energy: 0.4264178484545026
Energy: 0.41204456363764796
Energy: 0.4143618173529138
Energy: 0.4285141754936949
Energy: 0.405141614389968
Energy: 0.43156726237714016
Energy: 0.42653163087976165
Energy: 0.4425436553280647
Energy: 0.4302465750058436
Energy: 0.43161850697765464
Energy: 0.4089936340821539
Energy: 0.5328124916446725
Energy: 0.420340552720181
Energy: 0.4212206176610147
Energy: 0.4234908242864534
Energy: 0.42550483133884237
Energy: 0.4165257221287878
Energy: 0.4990257591660583
Energy: 0.43951701365417883
Energy: 0.4425272026083861
Energy: 0.4645202424200894
Energy: 0.4400900494950384
Energy: 0.41612622602316607
Energy: 0.5177386480624622
Energy: 0.43074475431142306
Energy: 0.41971525147731836
Energy: 0.40232806809798277
Energy: 0.44242347131183746
Energy: 0.4160103202987467
Energy: 0.5574137045342586
Energy: 0.3808673276611872
Energy: 0.3966961978503484
Energy: 0.45181000860867365
Energy: 0.3803451164185195
Energy: 0.4151842163267173
Energy: 0.4396404598715437
Energy: 0.3921134959214943
Energy: 0.4467764142600582
Energy: 0.43972941122976644
Energy: 0.3803925603555856
Energy: 0.47326354444091073
Energy: 0.4205803763150798
Energy: 0.4182867646989856
Energy: 0.41063765336237384
Energy: 0.42146022614757594
Energy: 0.4174989058942511
Energy: 0.40690241603562277
Energy: 0.42681816450977395
Energy: 0.44224549753399034
Energy: 0.44240290729646337
Energy: 0.4277848059175996
Energy: 0.44285011865289453
Energy: 0.44218768656379576
Energy: 0.4940099997531511
Energy: 0.40972264279640636
Energy: 0.4024379193893792
Energy: 0.4281877225434838
Energy: 0.40659139572139197
Energy: 0.4072653065526546
Energy: 0.573373636497691
Energy: 0.4078962607566933
Energy: 0.39212452279139276
Energy: 0.4724797297299627
Energy: 0.4076202302138086
Energy: 0.47095757558496465
Energy: 0.5966555724243933
Energy: 0.4183550541054931
Energy: 0.41845411888511397
Energy: 0.4018511238471918
Energy: 0.4084492773060633
Energy: 0.41232187230261436
Energy: 0.40315430833253046
Energy: 0.4026865854504461
Energy: 0.40489883317977066
Energy: 0.40622146267879866
Energy: 0.40463879088971566
Energy: 0.4027436663136835
Energy: 0.40299926045779433
Energy: 0.4035546580087935
Energy: 0.3986992403565178
Energy: 0.40717842727901804
Energy: 0.4003391985876539
Energy: 0.40107969397252907
Energy: 0.40641136138069656
Energy: 0.4260890039354378
Energy: 0.4063300742435822
Energy: 0.4138231938733512
Energy: 0.4272782298233795
Energy: 0.41803206576470536
Energy: 0.5654569632153813
Energy: 0.5528212370624124
Energy: 0.5499413282629994
Energy: 0.565072725926877
Energy: 0.5497748573453334
Energy: 0.5496820039091974
Energy: 0.5221483484891702
Energy: 0.42788031653568237
Energy: 0.4123811539511696
Energy: 0.4139935374136996
Energy: 0.4271879381128376
Energy: 0.4118667116364457
Energy: 0.4320326271656448
Energy: 0.4265392042706262
Energy: 0.42670251931458325
Energy: 0.4308672617611516
Energy: 0.4285566295287127
Energy: 0.4148224749191539
Energy: 0.5227631237552944
Energy: 0.4192848527805822
Energy: 0.4182757648797613
Energy: 0.41411809881064143
Energy: 0.4163926423558998
Energy: 0.4052798267826826
Energy: 0.5175663096569257
Energy: 0.42057533619411697
Energy: 0.43037026908727527
Energy: 0.4027136088654402
Energy: 0.4403554944709409
Energy: 0.41585184321689805
Energy: 0.49854367345291284
Energy: 0.43965695586431713
Energy: 0.4439365120832611
Energy: 0.4632733400321785
Energy: 0.4399005626069499
Energy: 0.4160545683559627
Energy: 0.6169156150506766
Energy: 0.3965151324674208
Energy: 0.41485252188922894
Energy: 0.479144563928967
Energy: 0.3809366616620255
Energy: 0.41540763499697914
Energy: 0.4532261486880069
Energy: 0.4732635331214741
Energy: 0.4736444259522994
Energy: 0.45317097410952834
Energy: 0.4728338326826278
Energy: 0.471548017573363
Energy: 0.42247614722244564
Energy: 0.4300686784783859
Energy: 0.41625671112112256
Energy: 0.4250619517844708
Energy: 0.4235171946907223
Energy: 0.41263618774689337
Energy: 0.42971421124272763
Energy: 0.4325761796211492
Energy: 0.4320009113607972
Energy: 0.43002956351760013
Energy: 0.43134894097335647
Energy: 0.4292139126881451
Energy: 0.4908027471930422
Energy: 0.405009453837803
Energy: 0.4079590685280348
Energy: 0.43620476578635664
Energy: 0.4104232120378642
Energy: 0.4095993169249201
Energy: 0.5734865581429069
Energy: 0.4071785977053636
Energy: 0.41234930673316694
Energy: 0.4731102274695034
Energy: 0.40135178685128825
Energy: 0.4125369406667065

minimum gb energy = 0.3803451164185195 eV
minimum distance =  2.63672142709003 Angstroms
sigma value = 33


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

Energy: 0.4757940177926661
Energy: 0.5503156624015925
Energy: 0.5507690772155829
Energy: 0.4704143289723063
Energy: 0.6798862193345243
Energy: 0.5507644027614395
Energy: 0.697234857129557
Energy: 0.42008737150908476
Energy: 0.42922607560382076
Energy: 0.4143670711976871
Energy: 0.4317496963278573
Energy: 0.4284980164365939
Energy: 0.43485408635625683
Energy: 0.4264288019879882
Energy: 0.4268055486158606
Energy: 0.4358440280218008
Energy: 0.4283898855270853
Energy: 0.4169100171081179
Energy: 0.433977339121826
Energy: 0.4278791041389156
Energy: 0.431753808026088
Energy: 0.435019727130233
Energy: 0.42983113206118334
Energy: 0.41695966488012925
Energy: 0.4350667578625205
Energy: 0.41791745495291105
Energy: 0.42308583641094466
Energy: 0.434992121330913
Energy: 0.434199340356657
Energy: 0.41845751027642497
Energy: 0.5349731807260986
Energy: 0.4804426570054995
Energy: 0.4801146502637506
Energy: 0.514330043777434
Energy: 0.48020201831263104
Energy: 0.492698109872061
Energy: 0.5810479040941591
Energy: 0.4474755543495754
Energy: 0.4488174870245153
Energy: 0.43795689819360445
Energy: 0.4279250529350471
Energy: 0.4276729361020383
Energy: 0.4772947940979378
Energy: 0.48160240236436813
Energy: 0.43752214848945725
Energy: 0.47170755586551777
Energy: 0.4810753563022014
Energy: 0.4446236646667988
Energy: 0.4692639963044804
Energy: 0.41734993031553463
Energy: 0.42778558890890667
Energy: 0.4427655225740137
Energy: 0.4124306721472066
Energy: 0.4223490320999358
Energy: 0.5768778320969589
Energy: 0.48129018142942936
Energy: 0.4815165890087151
Energy: 0.482010339109761
Energy: 0.48355989750506934
Energy: 0.4806713157645438
Energy: 0.5828568009059625
Energy: 0.49622536587237653
Energy: 0.44837603316508545
Energy: 0.4356092012520529
Energy: 0.48024641560110687
Energy: 0.42574479619028693
Energy: 0.5168319869978919
Energy: 0.4078928653408964
Energy: 0.42983452166541536
Energy: 0.5071477499161898
Energy: 0.40761533359359003
Energy: 0.4081084685721861
Energy: 0.5091692775981238
Energy: 0.40793335436870315
Energy: 0.4291441159837942
Energy: 0.5058736937497215
Energy: 0.4071815470060589
Energy: 0.5472486209633882
Energy: 0.43530610146367793
Energy: 0.42887185326486105
Energy: 0.41857641490483294
Energy: 0.43799174507340677
Energy: 0.4461021608165489
Energy: 0.41890536829610325
Energy: 0.4083803135378917
Energy: 0.42805415881569825
Energy: 0.4284229762063518
Energy: 0.44024453131979935
Energy: 0.43887256233061234
Energy: 0.43883588986386346
Energy: 0.44039801244542964
Energy: 0.4313040053257635
Energy: 0.4332063568945169
Energy: 0.42950210307122993
Energy: 0.4399250084612954
Energy: 0.43082953482065134
Energy: 0.5818989569504889
Energy: 0.5213548313587697
Energy: 0.49903182607895735
Energy: 0.4807315140076962
Energy: 0.5204758244780479
Energy: 0.47979810552274815
Energy: 0.5823706390292895
Energy: 0.43267263883200396
Energy: 0.428982945335196
Energy: 0.43575264501220856
Energy: 0.43900967662472984
Energy: 0.42297238923641267
Energy: 0.47681194685075234
Energy: 0.4633715200688249
Energy: 0.4042276031423298
Energy: 0.4183839827999172
Energy: 0.4723520635936475
Energy: 0.4287554269118914
Energy: 0.41500471022448004
Energy: 0.4634309096356971
Energy: 0.4041963049419027
Energy: 0.4142417506317341
Energy: 0.40392706998932204
Energy: 0.4286856463315209
Energy: 0.4130681736592597
Energy: 0.4390888923943967
Energy: 0.43960358295586094
Energy: 0.412455988311246
Energy: 0.4192549970871013
Energy: 0.44825089685256986
Energy: 0.4781322183539749
Energy: 0.48332127125065977
Energy: 0.47652602200135935
Energy: 0.4783939789589402
Energy: 0.4805092315205255
Energy: 0.476715935972917
Energy: 0.5406225685678646
Energy: 0.43420666554399456
Energy: 0.4287175233333605
Energy: 0.43214162167717546
Energy: 0.43429716437451504
Energy: 0.42616760380743246
Energy: 0.47567905000818117
Energy: 0.4968066204691849
Energy: 0.5509111181591072
Energy: 0.5473314467178721
Energy: 0.49693384718713285
Energy: 0.5511210371921794
Energy: 0.6999541427969311
Energy: 0.41972383972669824
Energy: 0.41974080049039114
Energy: 0.4095775293453706
Energy: 0.4327253704096226
Energy: 0.42071813359029636
Energy: 0.43416669698449767
Energy: 0.42729995296721407
Energy: 0.42684795735230247
Energy: 0.4361883646775819
Energy: 0.4289609558505683
Energy: 0.43116521267053826
Energy: 0.4345390446058812
Energy: 0.41771931999386475
Energy: 0.42658675375473193
Energy: 0.4362940945226825
Energy: 0.42944063986699116
Energy: 0.41661378629387147
Energy: 0.4372333151025351
Energy: 0.4269900147083138
Energy: 0.42551382499036294
Energy: 0.43856625966421553
Energy: 0.434845949914071
Energy: 0.46917899371669397
Energy: 0.5185247738650675
Energy: 0.4798480341365025
Energy: 0.4784338178827876
Energy: 0.5402893077487646
Energy: 0.4802849853724055
Energy: 0.4776665576833482
Energy: 0.47058195172822187
Energy: 0.4127758525125397
Energy: 0.4234987163659674
Energy: 0.4381065475495197
Energy: 0.413319944117508
Energy: 0.42873082573955085
Energy: 0.4769869797291672
Energy: 0.47833080853057136
Energy: 0.4420694809259094
Energy: 0.4712457834679162
Energy: 0.47866321106886084
Energy: 0.44800637483216704
Energy: 0.47130739344296674
Energy: 0.44568928032699534
Energy: 0.44784009276148706
Energy: 0.43103066005357554
Energy: 0.4157237079222878
Energy: 0.423368960667144
Energy: 0.5859062233453428
Energy: 0.4782132181909665
Energy: 0.4774584047117261
Energy: 0.4360500515573378
Energy: 0.4782052486205282
Energy: 0.47727524630920026
Energy: 0.5853414894420513
Energy: 0.49201230310636246
Energy: 0.4984375229022826
Energy: 0.4357877697157806
Energy: 0.47913376143226377
Energy: 0.42516145783715215
Energy: 0.513765299896845
Energy: 0.42017751732857
Energy: 0.4301577015433986
Energy: 0.5135955161298539
Energy: 0.40842631924790257
Energy: 0.4307695190600193
Energy: 0.5152304528885999
Energy: 0.5556856891502088
Energy: 0.5556983494798953
Energy: 0.5160759300597768
Energy: 0.5563053887215407
Energy: 0.5562380705214984
Energy: 0.437321270898928
Energy: 0.4291577744666243
Energy: 0.43016875927866904
Energy: 0.4408377811324919
Energy: 0.4432065020318239
Energy: 0.42017609158883473
Energy: 0.4068034026103244
Energy: 0.4268912819662208
Energy: 0.41993231287313737
Energy: 0.40782618938851295
Energy: 0.4359691343324137
Energy: 0.43918722245641284
Energy: 0.43799614603789017
Energy: 0.4305477968271801
Energy: 0.4185633786416091
Energy: 0.41984561819045646
Energy: 0.43810189274850764
Energy: 0.43048128284542897
Energy: 0.5731326871691531
Energy: 0.4303015859944678
Energy: 0.42798944019848134
Energy: 0.4813455096214736
Energy: 0.5097362661678261
Energy: 0.4797336815692101
Energy: 0.569101823619292
Energy: 0.4437799113020806
Energy: 0.4294628072380988
Energy: 0.4361737115354829
Energy: 0.4389304682044376
Energy: 0.42326608827885864
Energy: 0.4760978983123144
Energy: 0.4652632933273625
Energy: 0.4045118526019967
Energy: 0.4485673418608698
Energy: 0.4659272036830292
Energy: 0.4284276574052463
Energy: 0.47788252902114814
Energy: 0.4627999641487518
Energy: 0.4077350095373707
Energy: 0.4785323000274916
Energy: 0.4040781166564584
Energy: 0.4046909100373987
Energy: 0.4116150339886025
Energy: 0.4317785775850175
Energy: 0.4389120897289028
Energy: 0.41240461359519126
Energy: 0.43021337460811115
Energy: 0.42515586750430123
Energy: 0.47895817894622317
Energy: 0.4799498832406529
Energy: 0.483459553395284
Energy: 0.47957163958029275
Energy: 0.48307402796627263
Energy: 0.47711130059460605
Energy: 0.543610431503169
Energy: 0.43474299736922745
Energy: 0.427739062767903
Energy: 0.4317941422416745
Energy: 0.4302939231977119
Energy: 0.42504222334126784
Energy: 0.6759620594885943
Energy: 0.509499436196896
Energy: 0.5559158343941004
Energy: 0.556697810496937
Energy: 0.49719874917910517
Energy: 0.5558878903036971

minimum gb energy = 0.40392706998932204 eV
minimum distance =  2.69034438197375 Angstroms
sigma value = 67


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

Energy: 0.5345027675949017
Energy: 0.4191568265407931
Energy: 0.4186798681366724
Energy: 0.4190574422893453
Energy: 0.585767439519514
Energy: 0.42015284840959616
Energy: 0.512949923184297
Energy: 0.426158396289231
Energy: 0.4266146018833227
Energy: 0.425877271419485
Energy: 0.4569836106614632
Energy: 0.4262522131127636
Energy: 0.47408079367708894
Energy: 0.40615538384451993
Energy: 0.43045195767106276
Energy: 0.42347987565654854
Energy: 0.41678488691538296
Energy: 0.43064581685375514
Energy: 0.46278019372588947
Energy: 0.42248651427583195
Energy: 0.4226209807064922
Energy: 0.42246308785116543
Energy: 0.4220954763924674
Energy: 0.4227141378929927
Energy: 0.460099398497923
Energy: 0.425176236715142
Energy: 0.42695704620387154
Energy: 0.46073052258872094
Energy: 0.426084963903186
Energy: 0.42604340877184277
Energy: 0.4592681238196314
Energy: 0.4229206816922304
Energy: 0.4259749240261783
Energy: 0.46022638651646713
Energy: 0.4226974319936136
Energy: 0.42578624894666445
Energy: 0.513796642085762
Energy: 0.4270860049105359
Energy: 0.4270539273602527
Energy: 0.40712469334349755
Energy: 0.4564406491928788
Energy: 0.4268068553801811

minimum gb energy = 0.40615538384451993 eV
minimum distance =  2.68750519779461 Angstroms
sigma value = 3


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

Energy: 0.6618491287527737
Energy: 0.6118184115863593
Energy: 0.5498004728005296
Energy: 0.5316356303382874
Energy: 0.6239285570368188
Energy: 0.5562641386774057
Energy: 0.5627587111273188
Energy: 0.48630187486947635
Energy: 0.480371077734668
Energy: 0.4956814947890361
Energy: 0.501788535191073
Energy: 0.4799045977026361
Energy: 0.5123646742361325
Energy: 0.4979449153049203
Energy: 0.5176621091103653
Energy: 0.5156691993603875
Energy: 0.4981488944336647
Energy: 0.4920606590884569
Energy: 0.48110275780734735
Energy: 0.47887825519128335
Energy: 0.47974881102838796
Energy: 0.48202557241755417
Energy: 0.4706697555657902
Energy: 0.47799096285115683
Energy: 0.4791800742289518
Energy: 0.5075021837835172
Energy: 0.5063024471516226
Energy: 0.48010543600752553
Energy: 0.5132441657952795
Energy: 0.47403674042077204
Energy: 0.49484530190228543
Energy: 0.5071336141635723
Energy: 0.5071270072737476
Energy: 0.5113740160784883
Energy: 0.5131262627076948
Energy: 0.5043040637651284
Energy: 0.5051371806792114
Energy: 0.5097705640126229
Energy: 0.49852496528461565
Energy: 0.5016145156883386
Energy: 0.5379916767458734
Energy: 0.502669239749705
Energy: 0.6265089413159036
Energy: 0.6104923633749955
Energy: 0.5241996487600751
Energy: 0.5106196593921992
Energy: 0.6034937387610158
Energy: 0.5202656840576331
Energy: 0.5881570173293119
Energy: 0.47893885541809283
Energy: 0.4862070348932859
Energy: 0.5314025594623221
Energy: 0.5273362021217712
Energy: 0.4846561735295102
Energy: 0.6127431608304781
Energy: 0.48656700718878315
Energy: 0.5003036882918569
Energy: 0.5897287401648782
Energy: 0.5057599842976339
Energy: 0.5199811579907898
Energy: 0.5359305686572735
Energy: 0.4734383341729479
Energy: 0.4704869906103206
Energy: 0.5362737677870274
Energy: 0.5346392791022274
Energy: 0.5262169125156794
Energy: 0.5458735217289007
Energy: 0.5041731529335631
Energy: 0.501233275496563
Energy: 0.5177084164847037
Energy: 0.5110810887235848
Energy: 0.5099371557146475
Energy: 0.5200643607604964
Energy: 0.4807350549317654
Energy: 0.5060977541656592
Energy: 0.5163966695356219
Energy: 0.47813323316041134
Energy: 0.5068886789136599
Energy: 0.5674061016987128
Energy: 0.481936783403974
Energy: 0.4791938347485375
Energy: 0.503517026561721
Energy: 0.4818726314147058
Energy: 0.47902911728906045
Energy: 0.5533649414943107
Energy: 0.5046570486397508
Energy: 0.5234124735713312
Energy: 0.5252578044576617
Energy: 0.5057483278884172
Energy: 0.507082001926055
Energy: 0.5573314827182186
Energy: 0.4974069466349556
Energy: 0.4792329958053257
Energy: 0.5450840160762189
Energy: 0.5081360033260591
Energy: 0.48049853359485634
Energy: 0.5999531144714924
Energy: 0.5168551941469827
Energy: 0.514023519297627
Energy: 0.6212526390633719
Energy: 0.5376121253928894
Energy: 0.5512655934408803
Energy: 0.5958736535426941
Energy: 0.5148316181498971
Energy: 0.5010272717758556
Energy: 0.5893272531829453
Energy: 0.5179850121602567
Energy: 0.523287093544167
Energy: 0.6489660082925037
Energy: 0.5108305627772911
Energy: 0.4968432425318058
Energy: 0.4845806240280297
Energy: 0.522265456320499
Energy: 0.4843303637861424
Energy: 0.5801874380954877
Energy: 0.5032106634507638
Energy: 0.4967262973214199
Energy: 0.485330004682253
Energy: 0.5057075249493456
Energy: 0.4854905824340326
Energy: 0.4981514017384729
Energy: 0.4943147429902526
Energy: 0.49598853725580255
Energy: 0.4950930315699463
Energy: 0.4953053558014616
Energy: 0.4976992510403424
Energy: 0.4945206319649343
Energy: 0.5085840445817698
Energy: 0.506116109285826
Energy: 0.5030405945474695
Energy: 0.5152257215623381
Energy: 0.5066252886889114
Energy: 0.4995740783643462
Energy: 0.5075208794712989
Energy: 0.4948559372491237
Energy: 0.49825920854008304
Energy: 0.5029342008056695
Energy: 0.4994378166662291
Energy: 0.5435321967842857
Energy: 0.514681233314087
Energy: 0.505946883430499
Energy: 0.5448374572389562
Energy: 0.5209621410898728
Energy: 0.5035029526586939
Energy: 0.5644154972288085
Energy: 0.4846237750675417
Energy: 0.4797945179161486
Energy: 0.5225563784109314
Energy: 0.48171288552836733
Energy: 0.4803952354469743
Energy: 0.6474277430623868
Energy: 0.5761144487007706
Energy: 0.5480354795441813
Energy: 0.4705925846477262
Energy: 0.5950708605472458
Energy: 0.5187970614201755
Energy: 0.6530594097649783
Energy: 0.5274443066310819
Energy: 0.49609837488419023
Energy: 0.4706630862484966
Energy: 0.5592944134502498
Energy: 0.5189229533951928
Energy: 0.5178102047751746
Energy: 0.4793796822715834
Energy: 0.4798040583466192
Energy: 0.5320780338402367
Energy: 0.4850211343008247
Energy: 0.47917868970207567
Energy: 0.48592001448064515
Energy: 0.5036964417114237
Energy: 0.5083948960019733
Energy: 0.47984567138882434
Energy: 0.513614054501207
Energy: 0.4969487393712073
Energy: 0.475140431738945
Energy: 0.4985671271526261
Energy: 0.4757324762982281
Energy: 0.476361146682039
Energy: 0.5232092062490707
Energy: 0.4760996406500521
Energy: 0.4742088078921098
Energy: 0.5184385202529447
Energy: 0.5150347737939988
Energy: 0.5066064954727408
Energy: 0.5181297749479051
Energy: 0.5068642668440435
Energy: 0.49600055646795105
Energy: 0.5122752444513605
Energy: 0.5111064003821728
Energy: 0.49782625084390986
Energy: 0.5173996392917735
Energy: 0.4962659593009317
Energy: 0.617483216187116
Energy: 0.5530989521005328
Energy: 0.5507051263445978
Energy: 0.49369723972313256
Energy: 0.5595745209936003
Energy: 0.5025178506509841
Energy: 0.6494559450444297
Energy: 0.5231361861537999
Energy: 0.5063941151738773
Energy: 0.47732351389052563
Energy: 0.5337813902998593
Energy: 0.5134939132196833
Energy: 0.5841890939205829
Energy: 0.4732260759627268
Energy: 0.4709843006409377
Energy: 0.5565815937313163
Energy: 0.4735306642535034
Energy: 0.49608180097756754
Energy: 0.5470372927851896
Energy: 0.48591501915512614
Energy: 0.4873193745135656
Energy: 0.547710328019354
Energy: 0.4868755405211783
Energy: 0.5191889472106244
Energy: 0.5379829948648867
Energy: 0.5029100195929391
Energy: 0.4938257685119487
Energy: 0.5183693856347611
Energy: 0.49509697496406935
Energy: 0.49931380773053735
Energy: 0.5453967489095095
Energy: 0.5013264200446769
Energy: 0.5078247456221431
Energy: 0.5156765485259572
Energy: 0.5060481878758885
Energy: 0.5133095323070678
Energy: 0.5017306490654867
Energy: 0.47605320147274
Energy: 0.4730553445850529
Energy: 0.5091101312141135
Energy: 0.4751993082852153
Energy: 0.47332949121142937
Energy: 0.5590743688534601
Energy: 0.4811393351164521
Energy: 0.48138187335830923
Energy: 0.5089520932863424
Energy: 0.4842471343775792
Energy: 0.4951005921580164
Energy: 0.6093277738754816
Energy: 0.493217877250434
Energy: 0.495911708747029
Energy: 0.4776153796819125
Energy: 0.5177133806410771
Energy: 0.4793085536810358
Energy: 0.5908832917311888
Energy: 0.5180397099452341
Energy: 0.5192825060314477
Energy: 0.5894543746459384
Energy: 0.5045678122614743
Energy: 0.5372106785221918
Energy: 0.5909009651895704
Energy: 0.5111413418167841
Energy: 0.5118724070144461
Energy: 0.5817713338719095
Energy: 0.5109721494684778
Energy: 0.5500834243667889
Energy: 0.5616705981273151
Energy: 0.4946405467708173
Energy: 0.47928265930723346
Energy: 0.5058215483542934
Energy: 0.5036606694099409
Energy: 0.4795863190295699
Energy: 0.6007297099838761
Energy: 0.5041741054600594
Energy: 0.5048239036199256
Energy: 0.5143811128732839
Energy: 0.5042562916673207
Energy: 0.5231083626562828
Energy: 0.5017974481973743
Energy: 0.5037465744826614
Energy: 0.4961940446149216
Energy: 0.5021220131383637
Energy: 0.5049941690396831
Energy: 0.49975583560580356
Energy: 0.49416646831131794
Energy: 0.4989901736146977
Energy: 0.5104313216997214
Energy: 0.5141501545101336
Energy: 0.4971986044018871
Energy: 0.5058280839927
Energy: 0.49792116273985243
Energy: 0.5032742965813168
Energy: 0.5047679190201905
Energy: 0.49480258747301553
Energy: 0.5011800473149878
Energy: 0.495880788935306
Energy: 0.5047808434568142
Energy: 0.478030884086282
Energy: 0.4803206358766846
Energy: 0.5057260939894817
Energy: 0.4776381770745683
Energy: 0.5077192321194289
Energy: 0.5565769898248689
Energy: 0.49199003373059796
Energy: 0.4943032665877092
Energy: 0.5490556652980447
Energy: 0.47759058209392197
Energy: 0.506721224657124
Energy: 0.5651155608905909
Energy: 0.4819461887192616
Energy: 0.5055336826515566
Energy: 0.5162010617726854
Energy: 0.5211582877405929
Energy: 0.5055878018105482

minimum gb energy = 0.4704869906103206 eV
minimum distance =  2.62279280587478 Angstroms
sigma value = 81


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

Energy: 0.7215584590204503
Energy: 0.5163370849102451
Energy: 0.4835043045014774
Energy: 0.512250838282253
Energy: 0.5821265745480902
Energy: 0.5421803683267108
Energy: 0.5393286551734533
Energy: 0.48386280253624336
Energy: 0.48253967522612395
Energy: 0.47830793107076924
Energy: 0.48065708429401793
Energy: 0.4850842001488293
Energy: 0.5783565464483206
Energy: 0.5072787274723187
Energy: 0.5069052584040806
Energy: 0.5130927864419441
Energy: 0.4994110575385691
Energy: 0.558931665869251
Energy: 0.5393734285130113
Energy: 0.5060618394684677
Energy: 0.5495676684549046
Energy: 0.539597030586992
Energy: 0.4981038408371979
Energy: 0.528306738066136
Energy: 0.5250645595291373
Energy: 0.5337023045280828
Energy: 0.5355644445367481
Energy: 0.5292376390749545
Energy: 0.5325694228435713
Energy: 0.5346374294513366
Energy: 0.5534325115784154
Energy: 0.5324721281975145
Energy: 0.5297882840446749
Energy: 0.5428448357937837
Energy: 0.5367691619133135
Energy: 0.5315987779464256
Energy: 0.5243937704572194
Energy: 0.5342071288249984
Energy: 0.53698133055485
Energy: 0.503413386932983
Energy: 0.5685248517168866
Energy: 0.5357698267488795
Energy: 0.6088012832116443
Energy: 0.6213357260808705
Energy: 0.6263442755785168
Energy: 0.5073444769222825
Energy: 0.5967295087198822
Energy: 0.5213666626906167
Energy: 0.5353813129099305
Energy: 0.5346227307555322
Energy: 0.5265987958824979
Energy: 0.5260855287690682
Energy: 0.5330526505119976
Energy: 0.48724609185589507
Energy: 0.527557055097446
Energy: 0.4801790476216754
Energy: 0.47991116821993596
Energy: 0.5169342978728305
Energy: 0.46067237448696235
Energy: 0.47548406363448387
Energy: 0.5131499394309972
Energy: 0.47703863544932495
Energy: 0.4770537768874937
Energy: 0.51392725583336
Energy: 0.46240135765365487
Energy: 0.49422139428853834
Energy: 0.5009146153433067
Energy: 0.5341547963491818
Energy: 0.5525253850327599
Energy: 0.49798802475263115
Energy: 0.520305401296723
Energy: 0.52509652082311
Energy: 0.49814463882331783
Energy: 0.5258816821613166
Energy: 0.5306205871153957
Energy: 0.4986293235166654
Energy: 0.5314076352984787
Energy: 0.5071917073112248
Energy: 0.5375793623945727
Energy: 0.5282833372537143
Energy: 0.5265877398034837
Energy: 0.5414516763108741
Energy: 0.5268130355662712
Energy: 0.5302254998769369
Energy: 0.6115955187334265
Energy: 0.5506035284007241
Energy: 0.5507840876091267
Energy: 0.5390159419343103
Energy: 0.5396114977165755
Energy: 0.5521130815737095
Energy: 0.6233627045957807
Energy: 0.5295797693851821
Energy: 0.5297056411580771
Energy: 0.5336317043679366
Energy: 0.5351703999778953
Energy: 0.5356934231705678
Energy: 0.5894393977064144
Energy: 0.5240863115465914
Energy: 0.5209879908950175
Energy: 0.5893518889195015
Energy: 0.49911348156096663
Energy: 0.5195751337379537
Energy: 0.6296516479525558
Energy: 0.548870627960454
Energy: 0.5503266665177844
Energy: 0.609590347115602
Energy: 0.5364325891726496
Energy: 0.5595397689451257
Energy: 0.6471640192705531
Energy: 0.506032703258342
Energy: 0.46017377984565366
Energy: 0.46067737880103893
Energy: 0.5617551584429684
Energy: 0.4601003440258278
Energy: 0.6421444939435106
Energy: 0.5061497520582963
Energy: 0.4602178723640425
Energy: 0.4603438191582314
Energy: 0.5611977911005357
Energy: 0.46040459731475636
Energy: 0.5485748507569849
Energy: 0.5517242455389412
Energy: 0.5620001304136506
Energy: 0.5443676027700711
Energy: 0.5404193263678456
Energy: 0.5606955963881678
Energy: 0.524056604673631
Energy: 0.5133207398526789
Energy: 0.505468840725053
Energy: 0.5245501208484576
Energy: 0.5137874262173858
Energy: 0.5040561254542322
Energy: 0.5275964754611279
Energy: 0.5307951227076362
Energy: 0.5353167564203596
Energy: 0.5245463683580108
Energy: 0.5328373068172639
Energy: 0.5239615718813189
Energy: 0.5368592581652057
Energy: 0.549969689844871
Energy: 0.5322297293110438
Energy: 0.5394680797527943
Energy: 0.5500825194874381
Energy: 0.5389446199791729
Energy: 0.5553306218604109
Energy: 0.5383397885694488
Energy: 0.5359199255481715
Energy: 0.5397339423890662
Energy: 0.5360709551099553
Energy: 0.5319551742089553
Energy: 0.591364181272761
Energy: 0.5731223458249245
Energy: 0.5684450491610602
Energy: 0.5112042127347556
Energy: 0.6108441203201777
Energy: 0.5377158990619686
Energy: 0.5894772230864672
Energy: 0.5296406662709043
Energy: 0.5309739769648394
Energy: 0.5104507507447184
Energy: 0.6450350611584164
Energy: 0.5500561869625862
Energy: 0.5334273419982526
Energy: 0.45958602840936325
Energy: 0.485898927374163
Energy: 0.5134788599150786
Energy: 0.503022673611421
Energy: 0.4944551929341952
Energy: 0.526349334178819
Energy: 0.4771986600773808
Energy: 0.4762290984834509
Energy: 0.5009209362110494
Energy: 0.5171130202723636
Energy: 0.49630797366211554
Energy: 0.5238999672881581
Energy: 0.5222899514739531
Energy: 0.5324496571244043
Energy: 0.5090753483765009
Energy: 0.5208645088932982
Energy: 0.4918212102117299
Energy: 0.49820177644851504
Energy: 0.543930304088731
Energy: 0.5403441060302787
Energy: 0.5048648343855731
Energy: 0.5674023915936219
Energy: 0.5035930200790476
Energy: 0.5062268617279814
Energy: 0.5264275947620012
Energy: 0.5265330511473043
Energy: 0.5076009264793848
Energy: 0.5278115196282589
Energy: 0.4954990896074147
Energy: 0.6299033547001957
Energy: 0.5288906738245509
Energy: 0.5322316804859528
Energy: 0.5324458387234439
Energy: 0.5216355211767434
Energy: 0.5346230941671293
Energy: 0.6306187157431137
Energy: 0.5326666600505656
Energy: 0.5319232002486329
Energy: 0.5369334427974982
Energy: 0.5314729687767143
Energy: 0.5342208941651686
Energy: 0.6072683169170323
Energy: 0.4771457282990419
Energy: 0.5382805269256243
Energy: 0.6084523703632105
Energy: 0.5546040153864223
Energy: 0.5362966008061667
Energy: 0.6603611053297799
Energy: 0.5109577753864079
Energy: 0.500797044488423
Energy: 0.5909866976301004
Energy: 0.5071031815564065
Energy: 0.601060447135722
Energy: 0.6437205390342599
Energy: 0.48069863229531323
Energy: 0.4847858872364405
Energy: 0.48953775685739
Energy: 0.4811305661392842
Energy: 0.4836939719525283
Energy: 0.6529186426150861
Energy: 0.4914334279075349
Energy: 0.49818401763859693
Energy: 0.5119862893871225
Energy: 0.4979029482298625
Energy: 0.5310511560627683

minimum gb energy = 0.45958602840936325 eV
minimum distance =  2.61252171037003 Angstroms
sigma value = 43


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

Energy: 0.6400190724509863
Energy: 0.5786269079467072
Energy: 0.5462385633835417
Energy: 0.545801711282833
Energy: 0.5984907887768763
Energy: 0.5159613706428852
Energy: 0.5145756538239025
Energy: 0.5519810047587156
Energy: 0.480344826605946
Energy: 0.48924982259708616
Energy: 0.5342761719581229
Energy: 0.47586693371648253
Energy: 0.5212794780392843
Energy: 0.48823459292971616
Energy: 0.48799654929293274
Energy: 0.4787914845493911
Energy: 0.48775407926204417
Energy: 0.48944904078180446
Energy: 0.4798124790096167
Energy: 0.46748135113130085
Energy: 0.4728383377059972
Energy: 0.47918856671632193
Energy: 0.4618620054487859
Energy: 0.4749439480981264
Energy: 0.4777801123262378
Energy: 0.5044009869133693
Energy: 0.5014767151518035
Energy: 0.47814958950484887
Energy: 0.47853816980777136
Energy: 0.49092308806622986
Energy: 0.4784372775070449
Energy: 0.4895819061068854
Energy: 0.5002860589309424
Energy: 0.5030986003502862
Energy: 0.4784908457239108
Energy: 0.49673711292433387
Energy: 0.4887936518767455
Energy: 0.4744663951703009
Energy: 0.47335046177728674
Energy: 0.491391973218838
Energy: 0.4777910918568961
Energy: 0.4736057631184595
Energy: 0.575440324359096
Energy: 0.5033396619319296
Energy: 0.47851926862463595
Energy: 0.5018531906107452
Energy: 0.4786808068345099
Energy: 0.4899333374094791
Energy: 0.521087648398504
Energy: 0.4740831170541547
Energy: 0.47404441627609745
Energy: 0.528592980267214
Energy: 0.4974633840166423
Energy: 0.4739732381378139
Energy: 0.5888591112571547
Energy: 0.507685348417402
Energy: 0.5077692528159312
Energy: 0.5725349281181017
Energy: 0.4777103495699919
Energy: 0.507632420693878
Energy: 0.6018388629985983
Energy: 0.4873261679774596
Energy: 0.47253650538653735
Energy: 0.5732508794613141
Energy: 0.5206060235413034
Energy: 0.509893937892433
Energy: 0.5608356405405844
Energy: 0.4899849654323626
Energy: 0.4780001967676221
Energy: 0.4576103182012867
Energy: 0.5024846668608325
Energy: 0.4742631259391097
Energy: 0.606217018706139
Energy: 0.5148417605841371
Energy: 0.4901982346737554
Energy: 0.48776897655776197
Energy: 0.5130624751713367
Energy: 0.49054153362692166
Energy: 0.4831909527729728
Energy: 0.4776464161842919
Energy: 0.4774474696254605
Energy: 0.476490011420162
Energy: 0.5067939575970899
Energy: 0.5126652129803934
Energy: 0.4577533077683861
Energy: 0.5044550428968283
Energy: 0.5044354041258515
Energy: 0.45792193988376884
Energy: 0.5086906526598366
Energy: 0.4984774674282012
Energy: 0.46082003007836125
Energy: 0.4600570183893817
Energy: 0.46030186931619366
Energy: 0.46062760888143417
Energy: 0.5179838702964806
Energy: 0.45989232127358487
Energy: 0.46071747256625295
Energy: 0.5028253231005132
Energy: 0.4927901543405457
Energy: 0.461394826248499
Energy: 0.5094139972881825
Energy: 0.4927106433686477
Energy: 0.5124095297450498
Energy: 0.4756016074444514
Energy: 0.49480924958961237
Energy: 0.5008000217851761
Energy: 0.5159367710172705
Energy: 0.4787132889199289
Energy: 0.5638081299673577
Energy: 0.5188408530925233
Energy: 0.4972615115898197
Energy: 0.4856232956170815
Energy: 0.505504674785598
Energy: 0.474664058164577
Energy: 0.6135157330684159
Energy: 0.505029461837101
Energy: 0.49745177779050276
Energy: 0.47410128429421705
Energy: 0.5073832604694198
Energy: 0.509983028593
Energy: 0.5127214065324638
Energy: 0.49424033868330974
Energy: 0.475324835744365
Energy: 0.49347277343838614
Energy: 0.48935749459950273
Energy: 0.473259311522259
Energy: 0.5568827962895925
Energy: 0.48966302425242814
Energy: 0.5165155953032626
Energy: 0.5572436731509486
Energy: 0.5174204900673833
Energy: 0.49570852719014785
Energy: 0.5066174360278666
Energy: 0.47305732931095557
Energy: 0.4921135829521187
Energy: 0.501408379505969
Energy: 0.4909192484310965
Energy: 0.4754609972526942
Energy: 0.5469907210005436
Energy: 0.5051520891937155
Energy: 0.49155356132801825
Energy: 0.47675419051577805
Energy: 0.5171358850137366
Energy: 0.4923160796429062
Energy: 0.5179874531777411
Energy: 0.45775331812784
Energy: 0.4575039516071174
Energy: 0.519054734929073
Energy: 0.4575212454047096
Energy: 0.46096598946296674
Energy: 0.5218952018675189
Energy: 0.45795931718486044
Energy: 0.45874385483593316
Energy: 0.5074244235199696
Energy: 0.45774658352872166
Energy: 0.4802443605539099
Energy: 0.5220483029113802
Energy: 0.49633869375609635
Energy: 0.4980278401739919
Energy: 0.4796915908670391
Energy: 0.49929311252239916
Energy: 0.4987405804418314
Energy: 0.5101027298087121
Energy: 0.5054946223033571
Energy: 0.4754914831437909
Energy: 0.4865975888532559
Energy: 0.47664115479488184
Energy: 0.4751575978629878
Energy: 0.5462498083202367
Energy: 0.4879818302019789
Energy: 0.4881997509563637
Energy: 0.5464261900085912
Energy: 0.4985479479107484
Energy: 0.4875353485562882
Energy: 0.5360409796346933
Energy: 0.5039360230473676
Energy: 0.5058937216888341
Energy: 0.4954195225519973
Energy: 0.5040503804368455
Energy: 0.4759547022583936
Energy: 0.6126004262543718
Energy: 0.5768685128423262
Energy: 0.5277483802768955
Energy: 0.4888014072990228
Energy: 0.5921487010373626
Energy: 0.528080744029048

minimum gb energy = 0.4575039516071174 eV
minimum distance =  2.65443388523009 Angstroms
sigma value = 57


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

Energy: 0.5623826204557192
Energy: 0.5167562879019827
Energy: 0.5163354372312176
Energy: 0.48476575300530406
Energy: 0.5568880546057577
Energy: 0.5156725352532107
Energy: 0.4212182798329051
Energy: 0.47080000579045755
Energy: 0.4665769918646559
Energy: 0.46797010011639734
Energy: 0.4671637298596477
Energy: 0.5104095575265253
Energy: 0.5227402703841175
Energy: 0.4948513344305268
Energy: 0.46355192819071084
Energy: 0.5005320948610206
Energy: 0.49303569321078455
Energy: 0.46439096766061133
Energy: 0.4614226113402754
Energy: 0.46400073782350215
Energy: 0.421565763873362
Energy: 0.4621169103226056
Energy: 0.508729507123308
Energy: 0.4617636135002092
Energy: 0.463697842461826
Energy: 0.4964698197975034
Energy: 0.4695504248911275
Energy: 0.46935599325361543
Energy: 0.4968387626093079
Energy: 0.4707086182632981
Energy: 0.4963300798053562
Energy: 0.47038185708719044
Energy: 0.4949507142432993
Energy: 0.4964461425184187
Energy: 0.46560990088498905
Energy: 0.4949008177559435
Energy: 0.49917530922518466
Energy: 0.4588475963855189
Energy: 0.46485620424778756
Energy: 0.438136433954653
Energy: 0.45950653322073837
Energy: 0.46230003834327377
Energy: 0.5223575078593355
Energy: 0.5280079962059967
Energy: 0.5292518046754507
Energy: 0.49258045232858283
Energy: 0.5078246769845488
Energy: 0.5003646260423753
Energy: 0.46857680756785186
Energy: 0.46231701031877
Energy: 0.45888708853299554
Energy: 0.4688219991006071
Energy: 0.46192567610259416
Energy: 0.5096600829671144
Energy: 0.5257506970098014
Energy: 0.4971120738461376
Energy: 0.4971242341484398
Energy: 0.5256341565229206
Energy: 0.4966937236363855
Energy: 0.4578795277253326
Energy: 0.5588367164998621
Energy: 0.4569025412624381
Energy: 0.5110133988055852
Energy: 0.5261096224712368
Energy: 0.5037302164091998
Energy: 0.4594798619673389
Energy: 0.42169467517218007
Energy: 0.4625861261506256
Energy: 0.4987186006898136
Energy: 0.42253680690744294
Energy: 0.4624526877212455
Energy: 0.49293870744882967
Energy: 0.5820541304687333
Energy: 0.499266005599279
Energy: 0.49399464226061107
Energy: 0.4934108155913935
Energy: 0.4975942229770271
Energy: 0.49411042107402886
Energy: 0.5022343100612408
Energy: 0.46823825652870804
Energy: 0.46852453641431235
Energy: 0.46243642737913626
Energy: 0.46731642044487176
Energy: 0.46424119433072614
Energy: 0.4593094425589399
Energy: 0.4860319903853973
Energy: 0.4880873659815883
Energy: 0.45925596932045687
Energy: 0.4862258467287481
Energy: 0.48627357378462766
Energy: 0.4646692587944654
Energy: 0.4606988839958192
Energy: 0.4376798153355291
Energy: 0.4654702704923098
Energy: 0.4380029771058665
Energy: 0.4616094760715743
Energy: 0.4637832060913298
Energy: 0.49122469260452223
Energy: 0.4900478739282023
Energy: 0.46573050637752966
Energy: 0.49232575758032326
Energy: 0.49040892612331666
Energy: 0.4640090392143862
Energy: 0.4663130064754343
Energy: 0.43823081612138276
Energy: 0.5076692242503854
Energy: 0.46818135076707473
Energy: 0.4380200978658388
Energy: 0.46837181195045496
Energy: 0.4592067834978661
Energy: 0.4593883050010633
Energy: 0.4676833604331037
Energy: 0.4588226797640316
Energy: 0.4593310720796287
Energy: 0.468651223919712
Energy: 0.499185561709908
Energy: 0.49920219090338186
Energy: 0.510551560712614
Energy: 0.4995931771576019
Energy: 0.49763621374261485
Energy: 0.4672193394708859
Energy: 0.4588492680553403
Energy: 0.4682931498402116
Energy: 0.5000681745953287
Energy: 0.4624053384433533
Energy: 0.4627293029039297
Energy: 0.5475363915864558
Energy: 0.49815989494722
Energy: 0.4975551862065779
Energy: 0.5474610818852674
Energy: 0.4975732294021574
Energy: 0.4969075856479927
Energy: 0.5017531683253366
Energy: 0.462404278508227
Energy: 0.46168476749848125
Energy: 0.4629049130862813
Energy: 0.4622275433040363
Energy: 0.5102187702905189
Energy: 0.5808881488956564
Energy: 0.5007812825923484
Energy: 0.4942978942208603
Energy: 0.494759527743782
Energy: 0.5201240328555019
Energy: 0.4941759479840797

minimum gb energy = 0.4212182798329051 eV
minimum distance =  2.6565087725821 Angstroms
sigma value = 17


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

Energy: 0.5345470963917551
Energy: 0.5336279849880385
Energy: 0.5332346898989407
Energy: 0.501956365200108
Energy: 0.5320223645466162
Energy: 0.5046212514617878
Energy: 0.5369935342523201
Energy: 0.47158744361051347
Energy: 0.4323184433211713
Energy: 0.5325781675349419
Energy: 0.4730146039537047
Energy: 0.43273145591992074
Energy: 0.539081160653225
Energy: 0.41655511163350706
Energy: 0.41525393134418465
Energy: 0.5106970468540036
Energy: 0.4155323249515938
Energy: 0.4151628037779505
Energy: 0.47153241661726947
Energy: 0.4154389786326
Energy: 0.41530002620171247
Energy: 0.47180384804774095
Energy: 0.44545233943511414
Energy: 0.4718893146152674
Energy: 0.40663031452338033
Energy: 0.4444968896906308
Energy: 0.4437119663310407
Energy: 0.4073505205282334
Energy: 0.4401552118926463
Energy: 0.4433541677929114
Energy: 0.414911574735606
Energy: 0.4016373845928265
Energy: 0.4478958785586192
Energy: 0.4542309133455542
Energy: 0.40122600077460735
Energy: 0.4564681336887544
Energy: 0.44462835883194396
Energy: 0.4010820384037083
Energy: 0.40106316840381756
Energy: 0.44358755202120914
Energy: 0.4021024108775298
Energy: 0.4010383570617488
Energy: 0.40058881290755877
Energy: 0.4561900209595511
Energy: 0.4581526098033578
Energy: 0.4582024539834101
Energy: 0.4579795724850454
Energy: 0.4566264360415418
Energy: 0.4011613837546382
Energy: 0.45929919908949657
Energy: 0.4297939231571788
Energy: 0.4024293177192179
Energy: 0.4841037734029047
Energy: 0.40077393086036406
Energy: 0.40083938729601515
Energy: 0.4448052138079115
Energy: 0.4026070959095451
Energy: 0.4004619339815563
Energy: 0.4446629846820846
Energy: 0.40135339832608424
Energy: 0.49878251553296377
Energy: 0.4313034548393501
Energy: 0.40201301564597147
Energy: 0.44052947684097293
Energy: 0.47150240068554167
Energy: 0.44443865517285386
Energy: 0.5154587181069896
Energy: 0.465231737886043
Energy: 0.46475293083199554
Energy: 0.4325779480580597
Energy: 0.4645816602380314
Energy: 0.46500176296495166
Energy: 0.4608352665323034
Energy: 0.4646619105629209
Energy: 0.46460096323290384
Energy: 0.44369653830491973
Energy: 0.499356224056953
Energy: 0.46560472770682293
Energy: 0.5327845718822558
Energy: 0.4656409577157546
Energy: 0.47116929636608934
Energy: 0.5278733291370119
Energy: 0.46503568380549043
Energy: 0.43183636892885513
Energy: 0.5283545203749265
Energy: 0.5379730591615102
Energy: 0.5357317446336484
Energy: 0.5283364568164705
Energy: 0.5130730207639479
Energy: 0.5355154869944344
Energy: 0.5617566450349853
Energy: 0.4660722309523346
Energy: 0.4326567572899437
Energy: 0.5209387811828461
Energy: 0.47627982937337804
Energy: 0.4650634217788313
Energy: 0.5192754456661353
Energy: 0.5112763747577584
Energy: 0.5122546218756904
Energy: 0.415143421909528
Energy: 0.5118121545922371
Energy: 0.512312441069643

minimum gb energy = 0.4004619339815563 eV
minimum distance =  2.62203580350788 Angstroms
sigma value = 17


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

Energy: 0.4802278128777602
Energy: 0.5155312218255859
Energy: 0.5149717742655275
Energy: 0.5113221595620748
Energy: 0.5139915178298824
Energy: 0.5142343150961971
Energy: 0.5170463317554429
Energy: 0.4704083076055665
Energy: 0.4389125612135952
Energy: 0.5196648475218149
Energy: 0.47058268921978735
Energy: 0.4321355637711114
Energy: 0.5335974112951064
Energy: 0.3737599506025082
Energy: 0.42000392899751987
Energy: 0.46519801362814933
Energy: 0.373767121177618
Energy: 0.42013788474645625
Energy: 0.46459846410319644
Energy: 0.41919196099687295
Energy: 0.41858681007025095
Energy: 0.4708739074179286
Energy: 0.475125595096375
Energy: 0.41887342439561337
Energy: 0.45057257303706066
Energy: 0.397788053472021
Energy: 0.3987651557463589
Energy: 0.45096799331872917
Energy: 0.3992577410470632
Energy: 0.3969038576852982
Energy: 0.4192348856143709
Energy: 0.3975245992939545
Energy: 0.37540513480480403
Energy: 0.3770661067768801
Energy: 0.3974700933429527
Energy: 0.4570422659977998
Energy: 0.47081041952354946
Energy: 0.3971428986681838
Energy: 0.3974177601863962
Energy: 0.4743219453976202
Energy: 0.39797934993263984
Energy: 0.3892062181378103
Energy: 0.3680996368438945
Energy: 0.4334002889613527
Energy: 0.44184127786692706
Energy: 0.4131214492178902
Energy: 0.428029599200548
Energy: 0.44441951922915895
Energy: 0.36871744286317465
Energy: 0.40487030266201507
Energy: 0.3676798738981847
Energy: 0.3688516727926466
Energy: 0.4577795711745877
Energy: 0.3676916228096868
Energy: 0.367635245386351
Energy: 0.43164788769207874
Energy: 0.4350719468325705
Energy: 0.3676537632615497
Energy: 0.4333794793514254
Energy: 0.43349781606644494
Energy: 0.36955839998789225
Energy: 0.36727729864876535
Energy: 0.36745354053141316
Energy: 0.43136761593008194
Energy: 0.3674310399751215
Energy: 0.4322590283774978
Energy: 0.4576541836069144
Energy: 0.36758872516025
Energy: 0.3675448106596681
Energy: 0.45766286138364565
Energy: 0.3704665023528781
Energy: 0.3674056683538795
Energy: 0.3963449796670593
Energy: 0.4422196908540822
Energy: 0.4087073619767664
Energy: 0.40564546257051115
Energy: 0.406586031726411
Energy: 0.4052116355974752
Energy: 0.39704130421743755
Energy: 0.4555822284369668
Energy: 0.39702835789771046
Energy: 0.39781938480558837
Energy: 0.42658753383954023
Energy: 0.39650086394163375
Energy: 0.3968071919569169
Energy: 0.45033410492736253
Energy: 0.4485479067528098
Energy: 0.3967361213240371
Energy: 0.44325016564228825
Energy: 0.48248789454336083
Energy: 0.4883120016223485
Energy: 0.4343639048417427
Energy: 0.3979496804593144
Energy: 0.39766605638946906
Energy: 0.47258552364746076
Energy: 0.39751277306296
Energy: 0.46787529157809127
Energy: 0.4584934488562112
Energy: 0.46399589095105614
Energy: 0.4687254415050385
Energy: 0.4586688152241289
Energy: 0.39684046810364004
Energy: 0.4516010496930454
Energy: 0.46339456192148765
Energy: 0.4634898873302988
Energy: 0.4683646379462646
Energy: 0.4589892384448839
Energy: 0.3967379040917106
Energy: 0.5092527625856218
Energy: 0.45828260486235173
Energy: 0.4332755990172678
Energy: 0.4724529761864833
Energy: 0.5008081871175685
Energy: 0.39821520286368
Energy: 0.5062293399579897
Energy: 0.4892894184776512
Energy: 0.44987310816152953
Energy: 0.505963706949162
Energy: 0.48856034849506536
Energy: 0.4595982454146609
Energy: 0.533629106028941
Energy: 0.4582358334548303
Energy: 0.43318874393342943
Energy: 0.47185735385794464
Energy: 0.46076480064786823
Energy: 0.4321614141048024
Energy: 0.4729651917051754
Energy: 0.4597402178655984
Energy: 0.5062840023769318
Energy: 0.4191363591151566
Energy: 0.4620798733497438
Energy: 0.42161478359077514
Energy: 0.5009070123654654
Energy: 0.45962879241026383
Energy: 0.458971790669979
Energy: 0.49738783574348333
Energy: 0.463124208510541
Energy: 0.49727995038742434
Energy: 0.5336472317557128
Energy: 0.4112623994280781
Energy: 0.43400116011541484
Energy: 0.46486121489178217
Energy: 0.4824549191715543
Energy: 0.46298948960693953
Energy: 0.4634498285329218
Energy: 0.3752754743743577
Energy: 0.4195106251761609
Energy: 0.4632286703289063
Energy: 0.37388801870141336
Energy: 0.4215158055677608
Energy: 0.45160115198594947
Energy: 0.39782455523947613
Energy: 0.397625204318878
Energy: 0.45209944292805737
Energy: 0.4471126811564091
Energy: 0.43113803198230666
Energy: 0.41872962868518604
Energy: 0.3993750163225514
Energy: 0.3986404576228283
Energy: 0.3767534208149645
Energy: 0.39732860455012786
Energy: 0.37446721470751154
Energy: 0.46018585439057125
Energy: 0.3967616748632613
Energy: 0.3970406297851407
Energy: 0.4614014883106834
Energy: 0.3983574351784235
Energy: 0.3969826828805376
Energy: 0.4774682356411581
Energy: 0.38842088639730893
Energy: 0.4072993743309994
Energy: 0.44136293297085843
Energy: 0.39686231692461826
Energy: 0.40774599662857036
Energy: 0.3680083178171705
Energy: 0.43410923305150356
Energy: 0.36752542462044385
Energy: 0.3678931316563867
Energy: 0.42799986731810424
Energy: 0.36749128779841433
Energy: 0.36994072574892967
Energy: 0.4331913781364473
Energy: 0.4048721808669678
Energy: 0.3702859123831915
Energy: 0.43289185258831697
Energy: 0.36725497253748685
Energy: 0.36859846003582514
Energy: 0.43476792038826234
Energy: 0.4329154018493752
Energy: 0.4315614178142825
Energy: 0.3670560754177995
Energy: 0.432844376030195
Energy: 0.4546389527522721
Energy: 0.37003049997990384
Energy: 0.36793806535827583
Energy: 0.4559937979555855
Energy: 0.3703844438690913
Energy: 0.3677441566331787
Energy: 0.3965952479027253
Energy: 0.41071160716675836
Energy: 0.4445701942491267
Energy: 0.44612587409841026
Energy: 0.3675220810310492
Energy: 0.44499955733504076
Energy: 0.3992949523212613
Energy: 0.40714253592614486
Energy: 0.4451641843728681
Energy: 0.39991994218951327
Energy: 0.40637217947133814
Energy: 0.3898120958231736
Energy: 0.3966699512915458
Energy: 0.4053887840090597
Energy: 0.3975910300188152
Energy: 0.3968488784167341
Energy: 0.4051534887983508
Energy: 0.39701518962446736
Energy: 0.4821397783407334
Energy: 0.3969840910132782
Energy: 0.39737454887798707
Energy: 0.4382602177092679
Energy: 0.4518454061402682
Energy: 0.3980395985653941
Energy: 0.4698858259294203
Energy: 0.46866932289644203
Energy: 0.4378936525694344
Energy: 0.4993803070637479
Energy: 0.472330140639368
Energy: 0.4335897293385994
Energy: 0.4521207601895834
Energy: 0.45941640877255463
Energy: 0.3984168214563206
Energy: 0.3964021082086449
Energy: 0.5213522953522739
Energy: 0.3993225397749942
Energy: 0.4992393809918215
Energy: 0.45780404009123477
Energy: 0.45796884833214363
Energy: 0.4996879224593804
Energy: 0.46058298236965006
Energy: 0.4316740014220783
Energy: 0.48916797759964037
Energy: 0.39907324083587165
Energy: 0.4587824486662297
Energy: 0.48996505141820584
Energy: 0.3988646736840747
Energy: 0.45883275743732005
Energy: 0.5329273344693913
Energy: 0.4314106923869374
Energy: 0.4577115928627445
Energy: 0.4652408162709367
Energy: 0.4943532291300139
Energy: 0.4630273328371178
Energy: 0.5011215819302933
Energy: 0.458434732030688
Energy: 0.4584283475359758
Energy: 0.5019473968784257
Energy: 0.4625015884640597
Energy: 0.4363602251305765

minimum gb energy = 0.3670560754177995 eV
minimum distance =  2.6175815021417 Angstroms
sigma value = 57


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

Energy: 0.4695400454624941
Energy: 0.49309507281816295
Energy: 0.5038875392531494
Energy: 0.4581149739175727
Energy: 0.49757762323829874
Energy: 0.5067250139016816
Energy: 0.49796349879678836
Energy: 0.45015126174539677
Energy: 0.39725194468131036
Energy: 0.5014920953694223
Energy: 0.4588569254444985
Energy: 0.42610007494773217
Energy: 0.5044436127501359
Energy: 0.3710644040501421
Energy: 0.370323346608851
Energy: 0.4538246241195463
Energy: 0.3706048399829867
Energy: 0.4161741259674947
Energy: 0.45087030803505496
Energy: 0.3702269947194289
Energy: 0.4155235536802374
Energy: 0.45186433078875077
Energy: 0.415708918253652
Energy: 0.416277174300004
Energy: 0.430690986858724
Energy: 0.3967393816862158
Energy: 0.3931449183431598
Energy: 0.4306010214641757
Energy: 0.3944297372825256
Energy: 0.3930387695645297
Energy: 0.37050304717279403
Energy: 0.3941300390230825
Energy: 0.37253434084769277
Energy: 0.43905306741755407
Energy: 0.39453992319733766
Energy: 0.3708917926210854
Energy: 0.45523857167690396
Energy: 0.3957424149683057
Energy: 0.39270881431490584
Energy: 0.4581027883868495
Energy: 0.3949896392831816
Energy: 0.3819815134419663
Energy: 0.4469439522692292
Energy: 0.41481284481410946
Energy: 0.4128486085829346
Energy: 0.35955958223328793
Energy: 0.34994722677035184
Energy: 0.3603340844992339
Energy: 0.3617895187652284
Energy: 0.3594115033615743
Energy: 0.35920974795529925
Energy: 0.3626224143174588
Energy: 0.422292410895422
Energy: 0.3590391900143655
Energy: 0.35867858593991847
Energy: 0.41544797474051204
Energy: 0.4144091897144793
Energy: 0.35876648208983486
Energy: 0.4133200932480091
Energy: 0.4152590080973004
Energy: 0.3473057494945498
Energy: 0.34424857517687335
Energy: 0.3443918956256603
Energy: 0.4132642427787245
Energy: 0.34417567352695744
Energy: 0.41191892160520244
Energy: 0.42877615201498315
Energy: 0.34835472539625933
Energy: 0.34439335756327016
Energy: 0.429524402141467
Energy: 0.34881136987137057
Energy: 0.34431320966518836
Energy: 0.3437658079362635
Energy: 0.41374821016376384
Energy: 0.4118212266155974
Energy: 0.344028740358921
Energy: 0.41486041417454744
Energy: 0.41184511394644163
Energy: 0.3441654815038169
Energy: 0.4153638754260725
Energy: 0.3439076082747146
Energy: 0.34511170415051784
Energy: 0.4277777190475998
Energy: 0.34401171366989564
Energy: 0.3450900146794911
Energy: 0.4224968932079753
Energy: 0.4206532440451488
Energy: 0.34455868309037635
Energy: 0.42743556444818465
Energy: 0.4212698373784306
Energy: 0.4041187120807297
Energy: 0.35904390533763897
Energy: 0.35899097962135323
Energy: 0.418917145433483
Energy: 0.36368909604671545
Energy: 0.4164944684691552
Energy: 0.3978858806028109
Energy: 0.35970172468762185
Energy: 0.35925227976645135
Energy: 0.40475994576301255
Energy: 0.3663073672931296
Energy: 0.35916332339424484
Energy: 0.4234659379264929
Energy: 0.3974869256080107
Energy: 0.36087784447274995
Energy: 0.42349167094957857
Energy: 0.3971269031243873
Energy: 0.3607813458403017
Energy: 0.3932528046639209
Energy: 0.45307783437684646
Energy: 0.3929260518518274
Energy: 0.39418601006303944
Energy: 0.45752185632580283
Energy: 0.39313010920411845
Energy: 0.3927204169764597
Energy: 0.4465232146909637
Energy: 0.44455768344818364
Energy: 0.39304215833951517
Energy: 0.36090926417291974
Energy: 0.4792277964470464
Energy: 0.4784043282537603
Energy: 0.3970524140749675
Energy: 0.3946989081995005
Energy: 0.3937120638168474
Energy: 0.4453116060186422
Energy: 0.3934669220686602
Energy: 0.44124274091087723
Energy: 0.44739774522699816
Energy: 0.3944341922817334
Energy: 0.36155736144626255
Energy: 0.45279121289449015
Energy: 0.39400682825634425
Energy: 0.4488737897555729
Energy: 0.45425436938437047
Energy: 0.44718394126400884
Energy: 0.4497204156176664
Energy: 0.45164780081653244
Energy: 0.4475370733103448
Energy: 0.4906430784313338
Energy: 0.4310197143062706
Energy: 0.42743053871151115
Energy: 0.49247856632951825
Energy: 0.4687868170461095
Energy: 0.3943698507077431
Energy: 0.4842586497598529
Energy: 0.3969481914277227
Energy: 0.3968757173564344
Energy: 0.4797661246725953
Energy: 0.3947181535857322
Energy: 0.4482366999682726
Energy: 0.5042801404052986
Energy: 0.4528197621449631
Energy: 0.44699308461812276
Energy: 0.49323073425619807
Energy: 0.44954923293115007
Energy: 0.42529724826823145
Energy: 0.42269800358325343
Energy: 0.44715194241186473
Energy: 0.41757591532206023
Energy: 0.37016706602404886
Energy: 0.4485272069920208
Energy: 0.4175214305510732

minimum gb energy = 0.3437658079362635 eV
minimum distance =  2.62505698086125 Angstroms
sigma value = 43


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

Energy: 0.41900646469320135
Energy: 0.4636663653789102
Energy: 0.46712310322286543
Energy: 0.4071000176452329
Energy: 0.46764768339565455
Energy: 0.43386099422385715
Energy: 0.42796811750298136
Energy: 0.36511112090691006
Energy: 0.36504224971650656
Energy: 0.431040619147194
Energy: 0.4078658307609436
Energy: 0.4002272571944006
Energy: 0.4510626770389179
Energy: 0.3237817494214056
Energy: 0.34521345073791043
Energy: 0.4077556817384134
Energy: 0.3551561538351262
Energy: 0.34565774361225987
Energy: 0.41644926938340837
Energy: 0.34569373347199095
Energy: 0.34539806439923276
Energy: 0.39452227031157683
Energy: 0.36949626500749355
Energy: 0.38386829865198197
Energy: 0.37623583885865874
Energy: 0.3642064026067671
Energy: 0.3640754128042795
Energy: 0.37629687367586245
Energy: 0.3654829687312916
Energy: 0.36446318414597934
Energy: 0.3223902025401732
Energy: 0.36475832333621333
Energy: 0.3456482501837347
Energy: 0.3085419129234553
Energy: 0.3649007008908132
Energy: 0.3225636226896051
Energy: 0.4226555936487525
Energy: 0.3651170908202281
Energy: 0.36449738814633154
Energy: 0.3666886384583694
Energy: 0.3668117267134331
Energy: 0.36201979535788636
Energy: 0.40397850646427896
Energy: 0.36161623987207736
Energy: 0.32360514702692944
Energy: 0.3338971980971107
Energy: 0.36071543605295897
Energy: 0.3238740899594796
Energy: 0.33626205133349757
Energy: 0.3223135951038846
Energy: 0.3341695078801707
Energy: 0.3368407574268002
Energy: 0.36367005132707036
Energy: 0.3339143463349358
Energy: 0.35235713052031503
Energy: 0.3472639709503672
Energy: 0.3471350919436975
Energy: 0.3525702748036526
Energy: 0.34691281700764276
Energy: 0.3486510618222284
Energy: 0.3077713832585948
Energy: 0.3150705582899429
Energy: 0.31541042700059213
Energy: 0.36732319205225794
Energy: 0.31540977107118534
Energy: 0.36063912501114315
Energy: 0.3882284304059924
Energy: 0.3148285158729184
Energy: 0.31481278135320667
Energy: 0.3929791688913721
Energy: 0.3149647744326556
Energy: 0.34742553102153795
Energy: 0.3878319088612668
Energy: 0.35574803094947277
Energy: 0.3588516837379878
Energy: 0.3883163397698194
Energy: 0.3558608573802864
Energy: 0.3612831712129226
Energy: 0.304854555727764
Energy: 0.30375476386193645
Energy: 0.303702462586147
Energy: 0.30483029715385285
Energy: 0.35681962689749336
Energy: 0.303699434323229
Energy: 0.3038945697245799
Energy: 0.36263716139898033
Energy: 0.3642711226315935
Energy: 0.30385536545537856
Energy: 0.36372662293199864
Energy: 0.3652846147059619
Energy: 0.3735627801811336
Energy: 0.29853968142853404
Energy: 0.2983053361463434
Energy: 0.3548059535840288
Energy: 0.29843754361299424
Energy: 0.35789815990237367
Energy: 0.3796653154135142
Energy: 0.29837645054788814
Energy: 0.2981542856296906
Energy: 0.36623323360027554
Energy: 0.298391701296978
Energy: 0.33319582942548437
Energy: 0.29879577800858825
Energy: 0.3625536183766118
Energy: 0.3634625731808099
Energy: 0.2984746339125731
Energy: 0.3325404976872128
Energy: 0.36485892423478533
Energy: 0.29830095662659717
Energy: 0.2986506791105369
Energy: 0.2980649612195549
Energy: 0.29954200511253654
Energy: 0.3605507773502395
Energy: 0.29851168342249684
Energy: 0.29865014619700375
Energy: 0.36997904738745707
Energy: 0.3720524467394442
Energy: 0.2987250068811293
Energy: 0.3549061668214192
Energy: 0.36874943163963647
Energy: 0.383129418418241
Energy: 0.3037318007224338
Energy: 0.30354607087160096
Energy: 0.3906168240426422
Energy: 0.3037727141756985
Energy: 0.35970565811588806
Energy: 0.3587474207163527
Energy: 0.3040328488469167
Energy: 0.30400532921233175
Energy: 0.35794954246288657
Energy: 0.3041243542611465
Energy: 0.3332406122859363
Energy: 0.31533440165146764
Energy: 0.3660849456384654
Energy: 0.36721603590201946
Energy: 0.31507015761839374
Energy: 0.3377751411628327
Energy: 0.36207646434165003
Energy: 0.31560217344385105
Energy: 0.31518420274946507
Energy: 0.31498649341520424
Energy: 0.31649829887051967
Energy: 0.3604560058402282
Energy: 0.315006549134447
Energy: 0.39431428061882023
Energy: 0.3583428431816688
Energy: 0.31586972714272193
Energy: 0.3162309688473468
Energy: 0.3586643516101319
Energy: 0.3160957705738721
Energy: 0.4041280090294738
Energy: 0.3339894988783514
Energy: 0.3334857573708934
Energy: 0.3927130244395454
Energy: 0.3356227733561652
Energy: 0.3481718176137884
Energy: 0.3145748203811978
Energy: 0.3340200483215859
Energy: 0.33400995376602527
Energy: 0.3593765302313107
Energy: 0.3339305396429862
Energy: 0.3155511631065579
Energy: 0.37702473958162913
Energy: 0.3351311946356562
Energy: 0.3350053811720204
Energy: 0.369886423608566
Energy: 0.3361515399663963
Energy: 0.33470997832619415
Energy: 0.36689812175657416
Energy: 0.33486185787690936
Energy: 0.36414358549855946
Energy: 0.36789798893086834
Energy: 0.370431586958132
Energy: 0.36423031539602363
Energy: 0.42377301985374677
Energy: 0.31586536154701644
Energy: 0.33463187729262106
Energy: 0.36466869257881374
Energy: 0.31541621361946776
Energy: 0.3338637070958816
Energy: 0.42714807772050933
Energy: 0.36546331605492544
Energy: 0.3645612194915705
Energy: 0.36515343932416294
Energy: 0.3648889617883992
Energy: 0.36393956634099955
Energy: 0.3372703725136123
Energy: 0.40479787453175387
Energy: 0.36558273410873954
Energy: 0.315942412425982
Energy: 0.40485704638362463
Energy: 0.33417554740179845
Energy: 0.3936275661320542
Energy: 0.4080738814187994
Energy: 0.4075089230940746
Energy: 0.3935767271713024
Energy: 0.4069074222778827
Energy: 0.40813690667941105
Energy: 0.43868717650324934
Energy: 0.3651665643237745
Energy: 0.3650587744835279
Energy: 0.4317493892740738
Energy: 0.39157682131410976
Energy: 0.40429661254962923
Energy: 0.4484163724871291
Energy: 0.3350743610849871
Energy: 0.36508251044752793
Energy: 0.43049220393508986
Energy: 0.3696155811622799
Energy: 0.36554489031227216
Energy: 0.44770860640115984
Energy: 0.4080945226247813
Energy: 0.40774072190686
Energy: 0.4299498457855188
Energy: 0.40797046625503974
Energy: 0.4075386042270199

minimum gb energy = 0.2980649612195549 eV
minimum distance =  2.61075612206052 Angstroms
sigma value = 81


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

Energy: 0.17494609755853158
Energy: 0.2199235715628434
Energy: 0.07480354902772182
Energy: 0.07585434187572612
Energy: 0.25810507739627997
Energy: 0.1753518562384772
Energy: 0.19409210523404896
Energy: 0.25755974165808676
Energy: 0.25760429398552426
Energy: 0.3069752445803227
Energy: 0.25822328229806696
Energy: 0.25750854001525286
Energy: 0.2728632263363
Energy: 0.07470807006022741
Energy: 0.07493824039307188
Energy: 0.3071846417023591
Energy: 0.07464706167908157
Energy: 0.0976126689164702
Energy: 0.2818885349730818
Energy: 0.07467047430147414
Energy: 0.07504073122477761
Energy: 0.2903837272722415
Energy: 0.07466629014431546
Energy: 0.09801014353009219
Energy: 0.09847321157361646
Energy: 0.30397296887326464
Energy: 0.3037625546737223
Energy: 0.09914433812539218
Energy: 0.30386619741844023
Energy: 0.3036944525302737
Energy: 0.07515503001264635
Energy: 0.2831030000548793
Energy: 0.07534514967464392
Energy: 0.07613722184237821
Energy: 0.2831840550627089
Energy: 0.07463901961911015
Energy: 0.3006712134042034
Energy: 0.282918507997876
Energy: 0.28302430573871534
Energy: 0.3112042324754565
Energy: 0.2830295466584333
Energy: 0.2831276198410118
Energy: 0.3004544936674668
Energy: 0.07466501194727114
Energy: 0.07475058818816051
Energy: 0.3118192944261694
Energy: 0.0745839845336058
Energy: 0.07573586484330447
Energy: 0.2509943856013791
Energy: 0.0745778866639394
Energy: 0.11802122266370603
Energy: 0.28737281152029115
Energy: 0.07474961739436566
Energy: 0.09830306193171752
Energy: 0.1755781837043475
Energy: 0.30983950877731115
Energy: 0.31166824698182766
Energy: 0.07495987414615582
Energy: 0.27939244174468536
Energy: 0.3687307273036095

minimum gb energy = 0.0745778866639394 eV
minimum distance =  2.69855092924281 Angstroms
sigma value = 3


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

Energy: 0.44519607448077053
Energy: 0.4480127557656055
Energy: 0.42089216700199306
Energy: 0.37481225213751196
Energy: 0.4681559597954279
Energy: 0.37524902295036033
Energy: 0.4421831260268264
Energy: 0.4291626268708464
Energy: 0.4200671196468699
Energy: 0.44007150979961573
Energy: 0.4291548021732202
Energy: 0.4160758086529182
Energy: 0.435762194164646
Energy: 0.38243568358586916
Energy: 0.3945255013617343
Energy: 0.4294101671206031
Energy: 0.4190336984952597
Energy: 0.41407392597932197
Energy: 0.39160301050926344
Energy: 0.4056596361839285
Energy: 0.40332675381755606
Energy: 0.39235815097408616
Energy: 0.35439232061828624
Energy: 0.41664976451118735
Energy: 0.3547543879579698
Energy: 0.4201721648608017
Energy: 0.41606021883332406
Energy: 0.35488559647138757
Energy: 0.4367007222480465
Energy: 0.41823676004191473
Energy: 0.3240551163782696
Energy: 0.42737692866954874
Energy: 0.3911630199458638
Energy: 0.3561354226936015
Energy: 0.4274589421312412
Energy: 0.3775818587407945
Energy: 0.3954862336488367
Energy: 0.38540675708851285
Energy: 0.38545560602983114
Energy: 0.39558343654508443
Energy: 0.3872666670915168
Energy: 0.3885957431145939
Energy: 0.3920086341544425
Energy: 0.3400490667000872
Energy: 0.3670457915192673
Energy: 0.3929970036516547
Energy: 0.3607547118444322
Energy: 0.3518706570994879
Energy: 0.4122339648142451
Energy: 0.37709558808299654
Energy: 0.39613760745900783
Energy: 0.40941549662353915
Energy: 0.3243971478038422
Energy: 0.3959702860206846
Energy: 0.32416871588397445
Energy: 0.3516366905347034
Energy: 0.35158002887953577
Energy: 0.3241643880491442
Energy: 0.35264600801734935
Energy: 0.35095223623661476
Energy: 0.30881597477548267
Energy: 0.3529426078517626
Energy: 0.3519759119022791
Energy: 0.3389221786704216
Energy: 0.4059424284298228
Energy: 0.3536711877569995
Energy: 0.32488276601600663
Energy: 0.37856912677151733
Energy: 0.37748479157304915
Energy: 0.3236836041256665
Energy: 0.37652201322001105
Energy: 0.32359289028286514
Energy: 0.3292358303924062
Energy: 0.33042565477469527
Energy: 0.325712427603492
Energy: 0.3248945626412958
Energy: 0.3295762442034611
Energy: 0.3267352538840962
Energy: 0.36752543251951547
Energy: 0.3078515776873254
Energy: 0.36561570684382005
Energy: 0.3543366275061301
Energy: 0.3077976843496756
Energy: 0.3689885721422172
Energy: 0.37156865931679045
Energy: 0.3076686412859831
Energy: 0.30748850949302015
Energy: 0.372686354725405
Energy: 0.3082746940410706
Energy: 0.30767921286387395
Energy: 0.3702128518679816
Energy: 0.3660810536174922
Energy: 0.3653404097521172
Energy: 0.32994198906298533
Energy: 0.3809573063146027
Energy: 0.3663695754657167
Energy: 0.3002359515218057
Energy: 0.3602431216688144
Energy: 0.2998394795549643
Energy: 0.2998692443131629
Energy: 0.37102728186025075
Energy: 0.2999798528808123
Energy: 0.30002942691862744
Energy: 0.3574268973108735
Energy: 0.35869248661032505
Energy: 0.30010968593213616
Energy: 0.32965096951655337
Energy: 0.30047299156806767
Energy: 0.3646167026464094
Energy: 0.30021255293360427
Energy: 0.30083153114008443
Energy: 0.35094385174184517
Energy: 0.3000129346062356
Energy: 0.3711616157176008
Energy: 0.3662235059727872
Energy: 0.29992407751969047
Energy: 0.2997499049097593
Energy: 0.36350489167930633
Energy: 0.3020731427878011
Energy: 0.2999400961514944
Energy: 0.3079019468500387
Energy: 0.35232867518767386
Energy: 0.3657315136883018
Energy: 0.3820850370644524
Energy: 0.3643480722584392
Energy: 0.3639717299821709
Energy: 0.3125140709444744
Energy: 0.35049149194957313
Energy: 0.307504071480605
Energy: 0.30884749335917555
Energy: 0.38828163475315425
Energy: 0.3074562533360942
Energy: 0.3081414170747211
Energy: 0.3654090429610598
Energy: 0.3654995583842407
Energy: 0.3081352459436008
Energy: 0.36640172592107834
Energy: 0.37013021622705083
Energy: 0.37319570479375547
Energy: 0.32684098720173516
Energy: 0.32704070083238196
Energy: 0.3156324397767187
Energy: 0.32739664397711415
Energy: 0.31567138665259803
Energy: 0.3438351013844806
Energy: 0.3235536782512023
Energy: 0.323597734329486
Energy: 0.3452132828245928
Energy: 0.3237831405642359
Energy: 0.3239465437850105
Energy: 0.40951097289767324
Energy: 0.3427672942536111
Energy: 0.3146137718668562
Energy: 0.39390386385349585
Energy: 0.33933646398477146
Energy: 0.38638542752285043
Energy: 0.35214703936057656
Energy: 0.35432421794313107
Energy: 0.3570157526912604
Energy: 0.35307417483886266
Energy: 0.3135815738983284
Energy: 0.35103671852776624
Energy: 0.33421278611861455
Energy: 0.398439021660492
Energy: 0.3961669229581119
Energy: 0.33419858721199236
Energy: 0.39584305942100434
Energy: 0.3957984364897113
Energy: 0.3168196280541598
Energy: 0.391099708820423
Energy: 0.36779757296900734
Energy: 0.345386890659481
Energy: 0.39188584720598496
Energy: 0.3360871773742856
Energy: 0.38889722527188814
Energy: 0.3856633500718096
Energy: 0.38403179540138943
Energy: 0.3886024400777191
Energy: 0.396780805756094
Energy: 0.39170024175524204
Energy: 0.43095281147807596
Energy: 0.36421607206106965
Energy: 0.3819802981768483
Energy: 0.43080671667198517
Energy: 0.3572312279221625
Energy: 0.38201220253903206
Energy: 0.43941626475457124
Energy: 0.38490990221869364
Energy: 0.4049753533176645
Energy: 0.42955581265610826
Energy: 0.33432968974124827
Energy: 0.42676046764373476
Energy: 0.3675261611586381
Energy: 0.4283502903872797
Energy: 0.42845002023884216
Energy: 0.36755113998459993
Energy: 0.43425132868242355
Energy: 0.43543876356741734

minimum gb energy = 0.2997499049097593 eV
minimum distance =  2.64761685099864 Angstroms
sigma value = 67


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

Energy: 0.4710459070285307
Energy: 0.5191682295848056
Energy: 0.4629614434822811
Energy: 0.4107065753822786
Energy: 0.5541858551456889
Energy: 0.4631685286989436
Energy: 0.4812138173844424
Energy: 0.4800832007588582
Energy: 0.47170934618869775
Energy: 0.4803882886787846
Energy: 0.48658660570649037
Energy: 0.4229323579811052
Energy: 0.48607985606511495
Energy: 0.43230041279741116
Energy: 0.4784352328884508
Energy: 0.47440304042830617
Energy: 0.48904122932423644
Energy: 0.4687524298249883
Energy: 0.4762744516013607
Energy: 0.47929238944657626
Energy: 0.4902332256657415
Energy: 0.4768894821968925
Energy: 0.38092539290341043
Energy: 0.47079116890564293
Energy: 0.4285244496593449
Energy: 0.47375505117121064
Energy: 0.46940924525357136
Energy: 0.42771240198936306
Energy: 0.4828150184536505
Energy: 0.47048838982353364
Energy: 0.4032577833872271
Energy: 0.47105658143812956
Energy: 0.4272291706649237
Energy: 0.4253320810786804
Energy: 0.50364575105187
Energy: 0.4284612368779183
Energy: 0.42697322946964
Energy: 0.42291286195229655
Energy: 0.42013187022790505
Energy: 0.42697890133260213
Energy: 0.4222602901318147
Energy: 0.4138988624479318
Energy: 0.42919191319136085
Energy: 0.3970892829512563
Energy: 0.3947849760907959
Energy: 0.43031675174621287
Energy: 0.4248667952370931
Energy: 0.42591999278477677
Energy: 0.4470177925053016
Energy: 0.4197872454705494
Energy: 0.4451356421899559
Energy: 0.4363584508219558
Energy: 0.3788922316359343
Energy: 0.44985141554139946
Energy: 0.4410280379979853
Energy: 0.38162624437560105
Energy: 0.37817604658739
Energy: 0.4419397320061104
Energy: 0.3807038370906692
Energy: 0.37928956187547763
Energy: 0.440338867079289
Energy: 0.4410350437312477
Energy: 0.3799427883787958
Energy: 0.3992222285093046
Energy: 0.4115514836326034
Energy: 0.3819349592942109
Energy: 0.3601161157645158
Energy: 0.42260760269615716
Energy: 0.3555122741274144
Energy: 0.3553481236089868
Energy: 0.41451297430483486
Energy: 0.3555116474370884
Energy: 0.360357881380223
Energy: 0.42142674344109016
Energy: 0.3579307316583272
Energy: 0.3609258537967165
Energy: 0.39980191617801
Energy: 0.3558121645076804
Energy: 0.426458440144605
Energy: 0.35749577320066367
Energy: 0.42336096443120297
Energy: 0.4046982591374816
Energy: 0.3572409358726197
Energy: 0.41120033966605424
Energy: 0.4229731468898763
Energy: 0.3586529321442417
Energy: 0.35541826185810343
Energy: 0.424048736112388
Energy: 0.3569953970146603
Energy: 0.355411177252404
Energy: 0.4207274474404744
Energy: 0.43418546792932244
Energy: 0.4336475278861219
Energy: 0.41421940149977765
Energy: 0.3553858141059074
Energy: 0.42896226414392924
Energy: 0.3800873968662534
Energy: 0.39090180018343834
Energy: 0.38870160810927495
Energy: 0.38113458109490994
Energy: 0.4184261960592045
Energy: 0.3780250991842001
Energy: 0.3791139071518584
Energy: 0.43799867433856476
Energy: 0.4389136661097293
Energy: 0.3792855271905682
Energy: 0.4365139076558181
Energy: 0.37865604231647576
Energy: 0.43640948560147685
Energy: 0.43345081576271194
Energy: 0.45887332521819885
Energy: 0.4056405892313962
Energy: 0.44595056380014214
Energy: 0.394825560762233
Energy: 0.42386975520711917
Energy: 0.42347990090653476
Energy: 0.42328963977069584
Energy: 0.4235356879135068
Energy: 0.43654127728086367
Energy: 0.4230166616840419
Energy: 0.48524968327607987
Energy: 0.45126607849639383
Energy: 0.4862622198364608
Energy: 0.4871029515016978
Energy: 0.36134623612874067
Energy: 0.45016413483554213
Energy: 0.48219057056778597
Energy: 0.41147459598991026
Energy: 0.4424347922588563
Energy: 0.4739112816409106
Energy: 0.4412961470730015
Energy: 0.4462011057509663
Energy: 0.4853892234657644
Energy: 0.4814319787737617
Energy: 0.42054403050269806
Energy: 0.46185676559963323
Energy: 0.4881197591061805
Energy: 0.423496600801968

minimum gb energy = 0.3553481236089868 eV
minimum distance =  2.62540516870055 Angstroms
sigma value = 33


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

Energy: 0.5414006562176071
Energy: 0.5251614681095436
Energy: 0.5252983545279929
Energy: 0.5130060842991484
Energy: 0.5790613570529768
Energy: 0.5161023655734468
Energy: 0.4713104139451844
Energy: 0.49858202824023995
Energy: 0.49759905976667296
Energy: 0.49472243675007
Energy: 0.5087374461752526
Energy: 0.44121007239420046
Energy: 0.5210138730640591
Energy: 0.5012879288980262
Energy: 0.5000971961687883
Energy: 0.5228264683110512
Energy: 0.5234534246213984
Energy: 0.4893907517891384
Energy: 0.4935028657612368
Energy: 0.5005032729807222
Energy: 0.505516816032469
Energy: 0.49386747982308055
Energy: 0.49063023353181634
Energy: 0.4960936719096925
Energy: 0.4401174090778294
Energy: 0.4989349571054737
Energy: 0.4936882741875784
Energy: 0.43877009333327505
Energy: 0.5090985486129843
Energy: 0.4780237924161955
Energy: 0.4436838186680006
Energy: 0.5070042312073223
Energy: 0.49215495362428036
Energy: 0.45157839834309366
Energy: 0.5092669951307398
Energy: 0.48625899782063087
Energy: 0.4389689559932891
Energy: 0.49545151450028974
Energy: 0.42711524840526854
Energy: 0.43924594714040555
Energy: 0.49223566255806633
Energy: 0.42860341578124567
Energy: 0.43688127352022754
Energy: 0.44727235030256557
Energy: 0.4412108103461386
Energy: 0.4377669095384666
Energy: 0.45117852781920137
Energy: 0.43505807090914755
Energy: 0.4538825941134925
Energy: 0.4317481933583221
Energy: 0.470431265248279
Energy: 0.459317445208943
Energy: 0.39186097978005136
Energy: 0.4683262426054118
Energy: 0.4636487050674596
Energy: 0.39141446645915823
Energy: 0.3912780050204032
Energy: 0.4607239400595702
Energy: 0.3926579005294125
Energy: 0.39125805860577023
Energy: 0.4596694960643214
Energy: 0.39153550984851815
Energy: 0.4562279358504041
Energy: 0.4443292690316025
Energy: 0.3938409525328185
Energy: 0.45314035606728015
Energy: 0.39247267399087793
Energy: 0.3948929049562946
Energy: 0.3918655751574056
Energy: 0.39258069042852484
Energy: 0.38887708074794736
Energy: 0.3917752472418299
Energy: 0.391157428547576
Energy: 0.4570851953958541
Energy: 0.3913824163164806
Energy: 0.39133870244359864
Energy: 0.45448632729533506
Energy: 0.39170901270058484
Energy: 0.467191936271847
Energy: 0.45823701802544026
Energy: 0.47538512702113506
Energy: 0.45792775480127923
Energy: 0.4580697464149507
Energy: 0.43393072530542526
Energy: 0.4252527886791654
Energy: 0.43907581113550015
Energy: 0.44409968616646006
Energy: 0.4235988746726424
Energy: 0.45169303665465055
Energy: 0.41880037358720135
Energy: 0.48883948692223
Energy: 0.49285398199182273
Energy: 0.4913773857834015
Energy: 0.49422687885417094
Energy: 0.4022698840920909
Energy: 0.49836671239847713
Energy: 0.5195382247362321
Energy: 0.46914674213764357
Energy: 0.4611780900437024
Energy: 0.5198165022486324
Energy: 0.46515585262807596
Energy: 0.48517588916541765
Energy: 0.5290575863290604
Energy: 0.4414749069456661
Energy: 0.44049131653336193
Energy: 0.4951252875383979
Energy: 0.511675425753057
Energy: 0.4854762569657164
Energy: 0.4068000042855186
Energy: 0.5067704836568685
Energy: 0.5124381857124135
Energy: 0.4660817372561309
Energy: 0.5068646684775608
Energy: 0.5156778649434902
Energy: 0.5007341395333385
Energy: 0.4989816751161727
Energy: 0.4982500293033226
Energy: 0.47093495090090054
Energy: 0.4989753208677947
Energy: 0.4977489905567462
Energy: 0.5213900560859014
Energy: 0.5005442832044082
Energy: 0.5003513750063563
Energy: 0.49491507532242507
Energy: 0.5026176173418667
Energy: 0.48961539317187835
Energy: 0.4955750549864184
Energy: 0.5013898311805614
Energy: 0.5001751117397701
Energy: 0.49593563960723125
Energy: 0.5360381570510717
Energy: 0.5062960917278037
Energy: 0.4424185937939276
Energy: 0.4985880738312897
Energy: 0.49389730699681483
Energy: 0.44083209028956
Energy: 0.5089153747904739
Energy: 0.49645857754987427
Energy: 0.3959323070697193
Energy: 0.50919698847247
Energy: 0.4974589661622813
Energy: 0.48263385552680504
Energy: 0.5092277854007495
Energy: 0.4878870509950202
Energy: 0.45113781528391966
Energy: 0.49767963505852053
Energy: 0.4349458410696135
Energy: 0.4392099295525058
Energy: 0.4931251037750733
Energy: 0.47744646268599555
Energy: 0.4372806615740329
Energy: 0.4468368550549352
Energy: 0.44648212306380103
Energy: 0.4380971566486717
Energy: 0.4517867274662653
Energy: 0.43519582351832453
Energy: 0.4548333485990128
Energy: 0.447105027780918
Energy: 0.46582421664276263
Energy: 0.4680024390650012
Energy: 0.4343962543977417
Energy: 0.4677917095023972
Energy: 0.45455456591905535
Energy: 0.3914099221637023
Energy: 0.39174944587370925
Energy: 0.4552206294628244
Energy: 0.3933049892577319
Energy: 0.3918536716188636
Energy: 0.459368719599534
Energy: 0.39252184229792864
Energy: 0.39178568267798153
Energy: 0.44387607184962913
Energy: 0.39341404721454354
Energy: 0.452793919586797
Energy: 0.39216496940417134
Energy: 0.39471526952885333
Energy: 0.3924510903276693
Energy: 0.392112837582995
Energy: 0.42298307616801245
Energy: 0.3925894903707523
Energy: 0.3912379916142197
Energy: 0.3918411924025366
Energy: 0.3915772946012691
Energy: 0.3913386501473883
Energy: 0.45717336980714884
Energy: 0.3915084546696326
Energy: 0.4674048643583375
Energy: 0.4768654504730944
Energy: 0.47566991317344215
Energy: 0.45745558679691156
Energy: 0.4532854758067838
Energy: 0.4270074775742728
Energy: 0.4314204960778792
Energy: 0.4397317637652635
Energy: 0.44263605604218564
Energy: 0.3837792704374547
Energy: 0.4518184520623555
Energy: 0.4179106121436936
Energy: 0.48785188289261905
Energy: 0.40204637080081146
Energy: 0.49010937070200117
Energy: 0.49257977580699974
Energy: 0.40205151400353834
Energy: 0.49862309220677703
Energy: 0.5202493736377019
Energy: 0.4610770719747828
Energy: 0.4325268872631824
Energy: 0.5208417031977202
Energy: 0.43114067457143057
Energy: 0.48504487102270627
Energy: 0.5340210698981572
Energy: 0.4402731532133371
Energy: 0.4384843621547994
Energy: 0.4953096315102853
Energy: 0.4520862176250138
Energy: 0.4871745036478967
Energy: 0.4066870959334031
Energy: 0.4927044791501974
Energy: 0.5239881163382479
Energy: 0.46557747938644933
Energy: 0.5062711645070739
Energy: 0.48464251981940815

minimum gb energy = 0.3837792704374547 eV
minimum distance =  2.60296448594263 Angstroms
sigma value = 41


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

Energy: 0.5863494927216577
Energy: 0.5801023763146719
Energy: 0.5786995662259602
Energy: 0.5020286690386537
Energy: 0.6679849817022705
Energy: 0.5608102909832661
Energy: 0.4869260381363825
Energy: 0.5152900211576207
Energy: 0.5125450497006866
Energy: 0.5160848132674725
Energy: 0.5127980220328344
Energy: 0.5113282592365508
Energy: 0.6006822250479222
Energy: 0.49512835297899466
Energy: 0.5295734172204497
Energy: 0.59640530089559
Energy: 0.49553860227714397
Energy: 0.5098427976526259
Energy: 0.5122437991093599
Energy: 0.4957103936199275
Energy: 0.5264966202844833
Energy: 0.5129163315393942
Energy: 0.5228896057814305
Energy: 0.4999908259551136
Energy: 0.46116164819053534
Energy: 0.5144919163956939
Energy: 0.5130007818797572
Energy: 0.46144334151548927
Energy: 0.5127684165295961
Energy: 0.5129557895967741
Energy: 0.5131619164478388
Energy: 0.5348010552781782
Energy: 0.5414128099002815
Energy: 0.5016497125435854
Energy: 0.5315810141936359
Energy: 0.5420802430358099
Energy: 0.46000054653202943
Energy: 0.5127878465059358
Energy: 0.49600307194604115
Energy: 0.4616342843923394
Energy: 0.510842068627962
Energy: 0.4622470639880383
Energy: 0.45672938136227254
Energy: 0.4967113036509516
Energy: 0.47281310967844525
Energy: 0.45760641007014313
Energy: 0.4654269601518709
Energy: 0.47521050861867875
Energy: 0.48789105101102864
Energy: 0.4827737820685512
Energy: 0.5029313938110551
Energy: 0.49028514495610537
Energy: 0.4755477118155833
Energy: 0.501322339397505
Energy: 0.5084781169933675
Energy: 0.4644393321183845
Energy: 0.46085197468008054
Energy: 0.4592564827827513
Energy: 0.46198752252984776
Energy: 0.4722996847154261
Energy: 0.5093953143780914
Energy: 0.46195966317645637
Energy: 0.46287700308737045
Energy: 0.5099535168006376
Energy: 0.4327176935550733
Energy: 0.5129632055501842
Energy: 0.5370723719410219
Energy: 0.502736908233856
Energy: 0.5056623129925728
Energy: 0.5379889657153514
Energy: 0.5097890532739991
Energy: 0.5044246065541834
Energy: 0.5501051764879309
Energy: 0.5115311576578699
Energy: 0.5091315665161386
Energy: 0.47045530001855984
Energy: 0.5113964740810019
Energy: 0.509583449811229
Energy: 0.533438286464518
Energy: 0.5275505169909239
Energy: 0.5869333511695279
Energy: 0.5068911631143451
Energy: 0.5273124495568684
Energy: 0.5556848151345146

minimum gb energy = 0.4327176935550733 eV
minimum distance =  2.62403776975623 Angstroms
sigma value = 11


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

Energy: 0.6750902490126057
Energy: 0.5589519035654058
Energy: 0.5918587411897448
Energy: 0.585445545542125
Energy: 0.5422357471091351
Energy: 0.5706882022741921
Energy: 0.5877932156675068
Energy: 0.5137338031485
Energy: 0.5108051355527387
Energy: 0.5380088451947497
Energy: 0.5139684976715919
Energy: 0.5211547406165719
Energy: 0.5942046987867148
Energy: 0.543817178773103
Energy: 0.5632855404857381
Energy: 0.605436869531141
Energy: 0.5878921637311059
Energy: 0.6070395918557545
Energy: 0.5574254575972205
Energy: 0.5769839735137815
Energy: 0.5416761757138946
Energy: 0.5373817998611644
Energy: 0.5824831399919881
Energy: 0.5328799263457893
Energy: 0.5386969913145192
Energy: 0.5177152838084774
Energy: 0.516106768722624
Energy: 0.5408418854939563
Energy: 0.5214281119606016
Energy: 0.5158511196728511
Energy: 0.5503989294460618
Energy: 0.5068354292416317
Energy: 0.5183110059761138
Energy: 0.5506573919725296
Energy: 0.5057878174623139
Energy: 0.5219637760209018
Energy: 0.5063458214868999
Energy: 0.5218198619121764
Energy: 0.5233859482801613
Energy: 0.5076374913234536
Energy: 0.5179835419844098
Energy: 0.5206249106353777
Energy: 0.519769101563032
Energy: 0.5440063789177031
Energy: 0.5246238325793444
Energy: 0.5213391517974006
Energy: 0.5379101976430893
Energy: 0.5142791681178882
Energy: 0.597385783694052
Energy: 0.5500846395073538
Energy: 0.549824990415483
Energy: 0.5713387760918277
Energy: 0.5502421037919416
Energy: 0.5596650994901937
Energy: 0.5968585556434987
Energy: 0.5910868822911937
Energy: 0.5817138540308493
Energy: 0.5709688498678257
Energy: 0.5901591159423829
Energy: 0.5596817809361979
Energy: 0.5300110937766925
Energy: 0.5442064267508555
Energy: 0.5229267378080357
Energy: 0.5269827461585928
Energy: 0.5156608760611858
Energy: 0.5186412870212
Energy: 0.5641541091918146
Energy: 0.58695582834991
Energy: 0.5858140729204603
Energy: 0.5641147477513156
Energy: 0.5651729758885448
Energy: 0.5797751468324246
Energy: 0.5184908231206801
Energy: 0.5578720647402047
Energy: 0.5416336027672413
Energy: 0.5180746560194688
Energy: 0.5412263450882835
Energy: 0.5112294271991014
Energy: 0.5847529608499464
Energy: 0.5787122899575737
Energy: 0.5694076341483703
Energy: 0.5664654083970665
Energy: 0.569154817307245
Energy: 0.5743257549003998
Energy: 0.5070995973136996
Energy: 0.5531270392199339
Energy: 0.5364629453938509
Energy: 0.5084878017084362
Energy: 0.5549431370227826
Energy: 0.5490793435214117
Energy: 0.5068949514490856
Energy: 0.5316622562402867
Energy: 0.5086779156343354
Energy: 0.5081765697318256
Energy: 0.5430626299420426
Energy: 0.5085499916108565
Energy: 0.5027391889568572
Energy: 0.5386777707891671
Energy: 0.5284878202340939
Energy: 0.5039813164644551
Energy: 0.5427969169099763
Energy: 0.5234039927287003
Energy: 0.5587453253493835
Energy: 0.5229170617545017
Energy: 0.5270163712440563
Energy: 0.523709905840339
Energy: 0.5244627673322982
Energy: 0.524311757526606
Energy: 0.52087282642413
Energy: 0.525441890297177
Energy: 0.5247511520356909
Energy: 0.5197861902347203
Energy: 0.5235649575507926
Energy: 0.518544836286854
Energy: 0.5773092415894795
Energy: 0.5522951102902178
Energy: 0.5762372872297884
Energy: 0.5777346125032109
Energy: 0.6029032032376479
Energy: 0.5902985542585307
Energy: 0.5504446448612426
Energy: 0.5478027883656169
Energy: 0.5261539159458403
Energy: 0.549939487730588
Energy: 0.5903376146467844
Energy: 0.5208204997652356
Energy: 0.5226840327549029
Energy: 0.5354648747443107
Energy: 0.5346552333370642
Energy: 0.5090701021648589
Energy: 0.5671907416882445
Energy: 0.537567480895289
Energy: 0.510287106860914
Energy: 0.5434068670345632
Energy: 0.5736700321172156
Energy: 0.5692188406625108
Energy: 0.5445258856560442
Energy: 0.5736748497304117
Energy: 0.5477867114389667
Energy: 0.5152182958776644
Energy: 0.5326982986933212
Energy: 0.51979760221563
Energy: 0.517491722543181
Energy: 0.5198285261732648
Energy: 0.5249121234416761
Energy: 0.5435967230097393
Energy: 0.5438970702122807
Energy: 0.5239128545136077
Energy: 0.5208964017110371
Energy: 0.5403796952373119
Energy: 0.5412126778208487
Energy: 0.51326048948062
Energy: 0.5302869480014439
Energy: 0.5425349426425427
Energy: 0.5045720384092719
Energy: 0.5317598916518252
Energy: 0.5384031221306766
Energy: 0.5117710314171025
Energy: 0.5083070604437341
Energy: 0.5410747625544362
Energy: 0.5092870091483651
Energy: 0.5083738487067792
Energy: 0.5468768412105978
Energy: 0.5228145688956521
Energy: 0.5489710486492653
Energy: 0.5476359827529417
Energy: 0.5079203090421275
Energy: 0.5474230775763127
Energy: 0.5503984877626719
Energy: 0.5517472797507276
Energy: 0.5529404691288937
Energy: 0.5506860886479098
Energy: 0.5232701121984877
Energy: 0.561595995414433
Energy: 0.584832239504909
Energy: 0.5111594394995405
Energy: 0.5369389434048587
Energy: 0.5372112875559373
Energy: 0.5105227155203713
Energy: 0.5472892378697183
Energy: 0.5164695499081516
Energy: 0.53860679816279
Energy: 0.5947740394578432
Energy: 0.5689322009419843
Energy: 0.5386863433110303
Energy: 0.595046893788919

minimum gb energy = 0.5027391889568572 eV
minimum distance =  2.58461948347477 Angstroms
sigma value = 57


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

Energy: 0.6294632410410814
Energy: 0.5276812669565604
Energy: 0.527323687317253
Energy: 0.5286550266094291
Energy: 0.7017233829276203
Energy: 0.5277810506812688
Energy: 0.49737306165800477
Energy: 0.5131086832937503
Energy: 0.5161637086454016
Energy: 0.5073748471038849
Energy: 0.5107174916699738
Energy: 0.5182322657956504
Energy: 0.5177214741435342
Energy: 0.5222105911118219
Energy: 0.5223896719313865
Energy: 0.5181373075549395
Energy: 0.5284480363653502
Energy: 0.5177325566192235
Energy: 0.5216677645363278
Energy: 0.5170431823213212
Energy: 0.5122628505711067
Energy: 0.5226819743244561
Energy: 0.5580702706003066
Energy: 0.5218814203768392
Energy: 0.5748645381029296
Energy: 0.549621819608964
Energy: 0.5128805103333165
Energy: 0.5362802143281179
Energy: 0.5475424483800208
Energy: 0.512021224413516
Energy: 0.5768024786876239
Energy: 0.517397312659503
Energy: 0.5304459837401606
Energy: 0.5788913448797004
Energy: 0.5168790964196255
Energy: 0.5314066097466542
Energy: 0.5168699428538825
Energy: 0.5090889508398451
Energy: 0.5129505767605512
Energy: 0.5198321392393096
Energy: 0.5005276817691299
Energy: 0.5295919458603588
Energy: 0.546511894313949
Energy: 0.5067804178622385
Energy: 0.5178376467504247
Energy: 0.523762677784004
Energy: 0.5069984116916941
Energy: 0.5117019896688785
Energy: 0.6076874815304644
Energy: 0.5155873678122246
Energy: 0.5284859056742188
Energy: 0.5134815308659947
Energy: 0.5180517302396495
Energy: 0.5284445446261496
Energy: 0.6069981345363065
Energy: 0.5175219919236619
Energy: 0.529094782013895
Energy: 0.49902056229111225
Energy: 0.5177568525349894
Energy: 0.5346822448008168
Energy: 0.5484825275861517
Energy: 0.5074029099977847
Energy: 0.5190790532999632
Energy: 0.5229601077156316
Energy: 0.5078645457616905
Energy: 0.5110075641211878
Energy: 0.5798826012523396
Energy: 0.5294186497757829
Energy: 0.5317389499651318
Energy: 0.581602748290866
Energy: 0.5316109738189023
Energy: 0.5875851229158281
Energy: 0.5221938390296079
Energy: 0.5140233506375403
Energy: 0.5173653301402765
Energy: 0.5105927177549817
Energy: 0.5100314461073037
Energy: 0.5173930684629025
Energy: 0.5745302673481664
Energy: 0.5225396329988573
Energy: 0.5328682333320487
Energy: 0.5522875363049577
Energy: 0.5186640557047896
Energy: 0.5169239137820908
Energy: 0.5361737549879203
Energy: 0.516216514857267
Energy: 0.5284392563772409
Energy: 0.5363897097920863
Energy: 0.5205645451579339
Energy: 0.5282362841718728
Energy: 0.5176757359676105
Energy: 0.5142118373206517
Energy: 0.515551813034085
Energy: 0.5178530919638248
Energy: 0.4990775537752146
Energy: 0.5176656231028228
Energy: 0.49756631683274777
Energy: 0.5141720136944465
Energy: 0.5160953652011666
Energy: 0.49785962257877
Energy: 0.5106624857658606
Energy: 0.5182567741097378

minimum gb energy = 0.49737306165800477 eV
minimum distance =  2.64955504632225 Angstroms
sigma value = 9


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

Energy: 0.6780114087258947
Energy: 0.5935955521675133
Energy: 0.6192431889415135
Energy: 0.6127178543071693
Energy: 0.7276123158330369
Energy: 0.6248339090498191
Energy: 0.5423173761800679
Energy: 0.5475096140016862
Energy: 0.5378199871669547
Energy: 0.5394875960136075
Energy: 0.5467106116435139
Energy: 0.5395574410316905
Energy: 0.573587296199176
Energy: 0.5495582880678614
Energy: 0.5520635651383803
Energy: 0.5743416705623599
Energy: 0.5523515168404368
Energy: 0.5525991797350461
Energy: 0.5392710820156897
Energy: 0.5496914235605262
Energy: 0.5502905868792102
Energy: 0.5397002096159564
Energy: 0.5447722021003234
Energy: 0.5511048776139369
Energy: 0.5284289173696399
Energy: 0.5457287690522857
Energy: 0.5432283383595972
Energy: 0.5284649105027962
Energy: 0.5465228047232692
Energy: 0.5358223368780383
Energy: 0.5306930140121249
Energy: 0.5415888488584762
Energy: 0.5430994110152499
Energy: 0.5329280293616263
Energy: 0.5415657037780452
Energy: 0.5374077168289322
Energy: 0.5732724279236708
Energy: 0.5598120197991419
Energy: 0.5429634955644469
Energy: 0.5763909712528099
Energy: 0.5621846360993691
Energy: 0.5413776903954558
Energy: 0.5599657472350775
Energy: 0.543745761816278
Energy: 0.54417501985122
Energy: 0.5382106643255904
Energy: 0.5317473442948342
Energy: 0.5422828702457704
Energy: 0.6048128133424999
Energy: 0.54798934739674
Energy: 0.5402842257604443
Energy: 0.5510358335617205
Energy: 0.5517350017830195
Energy: 0.5927862487875569
Energy: 0.6051914287311082
Energy: 0.536476144907519
Energy: 0.5388840677443218
Energy: 0.5490445927387483
Energy: 0.5292931315459003
Energy: 0.5384611448465948
Energy: 0.5454270060263726
Energy: 0.5419215650972073
Energy: 0.5405657795022349
Energy: 0.5380548053171547
Energy: 0.5488184447432295
Energy: 0.5398273613705168
Energy: 0.5476780172057144
Energy: 0.536599242395271
Energy: 0.5382557782556204
Energy: 0.5379240056609521
Energy: 0.5315619837425004
Energy: 0.5444658440292852
Energy: 0.6012279399484836
Energy: 0.5477871244890296
Energy: 0.5517528254759358
Energy: 0.5654932956190662
Energy: 0.5387855307306729
Energy: 0.5619352008011483
Energy: 0.6048258871420166
Energy: 0.5496143223126359
Energy: 0.5508981663782395
Energy: 0.6052361868478009
Energy: 0.5500920457786809
Energy: 0.5499278795527166
Energy: 0.5544270722558702
Energy: 0.5604759396543201
Energy: 0.5592625271836004
Energy: 0.5550664816946341
Energy: 0.5590537803459764
Energy: 0.548985213163786
Energy: 0.5490783753110389
Energy: 0.5942777779618624
Energy: 0.5647481074043175
Energy: 0.5458587023264856
Energy: 0.6018870424525636
Energy: 0.5649222801855457
Energy: 0.5913912593292285
Energy: 0.5496295169512526
Energy: 0.549420443739279
Energy: 0.5378678121832973
Energy: 0.5731483504859207
Energy: 0.5500631383484778
Energy: 0.5615711995860904
Energy: 0.5511779677008588
Energy: 0.5550254285605529
Energy: 0.5473601414266583
Energy: 0.5465452672526991
Energy: 0.5521800089572405
Energy: 0.5474695324006735
Energy: 0.5583460577827254
Energy: 0.5516525007832395
Energy: 0.5463749800389053
Energy: 0.5399606649551731
Energy: 0.5536520839770781
Energy: 0.5462784196598874
Energy: 0.5604528134779253
Energy: 0.5499558343001004
Energy: 0.5515117334872498
Energy: 0.5591273107915214
Energy: 0.5548076344124764
Energy: 0.578182118238909
Energy: 0.5392058068101061
Energy: 0.5434836040004776
Energy: 0.544001895489525
Energy: 0.5441311331312825
Energy: 0.5380040656191123

minimum gb energy = 0.5284289173696399 eV
minimum distance =  2.59257413257471 Angstroms
sigma value = 27


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

Energy: 0.5264834123037867
Energy: 0.5237091936053041
Energy: 0.5231909007839403
Energy: 0.530033389878686
Energy: 0.6612379786194572
Energy: 0.5316896575347737
Energy: 0.5600445253047468
Energy: 0.5630221420985944
Energy: 0.5628222895109594
Energy: 0.5743085073543769
Energy: 0.5529700837093229
Energy: 0.5486422583394699
Energy: 0.6085063710058422
Energy: 0.5721888273401802
Energy: 0.5630863181131652
Energy: 0.5698352543577502
Energy: 0.49160695149257844
Energy: 0.5640070547960556
Energy: 0.5659854233863312
Energy: 0.5492067424840645
Energy: 0.5482897182391739
Energy: 0.5603354250322087
Energy: 0.5468435085270088
Energy: 0.5410107779791511
Energy: 0.49917167865604334
Energy: 0.5294150290413718
Energy: 0.5393241139022493
Energy: 0.5009718638752797
Energy: 0.5340254275895311
Energy: 0.5212467116242833
Energy: 0.5355607990205321
Energy: 0.5380459303141853
Energy: 0.5288785202780518
Energy: 0.5115444587856768
Energy: 0.5431261076262907
Energy: 0.5281885312998031
Energy: 0.5344186326889765
Energy: 0.5040534956505813
Energy: 0.509788692582873
Energy: 0.5365563113701254
Energy: 0.4986537352257521
Energy: 0.49257487073487594
Energy: 0.5334128351497354
Energy: 0.5186626318030241
Energy: 0.5348505970679185
Energy: 0.5318176678509127
Energy: 0.5410957427737285
Energy: 0.5396291102161261
Energy: 0.5722255718682557
Energy: 0.5379534671328355
Energy: 0.5313146734681524
Energy: 0.5213024420608885
Energy: 0.527059960816564
Energy: 0.5361147944953234
Energy: 0.5233292343063994
Energy: 0.48795839628933335
Energy: 0.5030751470577112
Energy: 0.5112852574199046
Energy: 0.49264511272898287
Energy: 0.49103177149066446
Energy: 0.46453471827641507
Energy: 0.46028864399781255
Energy: 0.4758754315513499
Energy: 0.47140664187270276
Energy: 0.499174692088904
Energy: 0.4659708645568052
Energy: 0.46480149137915916
Energy: 0.46068679081371877
Energy: 0.47998678616518065
Energy: 0.4661372104055253
Energy: 0.46134799438995955
Energy: 0.4653619258892705
Energy: 0.45879385133369543
Energy: 0.46529183077884373
Energy: 0.4888951216914613
Energy: 0.4596938452264461
Energy: 0.46870778213123304
Energy: 0.465992151539392
Energy: 0.5332966793538001
Energy: 0.4719558353830183
Energy: 0.47533209033240065
Energy: 0.5015999581588781
Energy: 0.47201275846304447
Energy: 0.4789450066041209
Energy: 0.4655457764497532
Energy: 0.4703336164846348
Energy: 0.48072658122857614
Energy: 0.4658871883689616
Energy: 0.463555979857494
Energy: 0.4648889265095458
Energy: 0.5708064548848112
Energy: 0.48614369460955487
Energy: 0.5062164600891327
Energy: 0.5156395414040268
Energy: 0.4895222621807447
Energy: 0.5059990639160737
Energy: 0.5326464187334236
Energy: 0.5333472880406439
Energy: 0.5204019424917812
Energy: 0.5336844320147702
Energy: 0.5282792718621033
Energy: 0.5239548998634493
Energy: 0.5334827175121064
Energy: 0.5338032139422191
Energy: 0.5298403824864627
Energy: 0.511939952195225
Energy: 0.5357859288533466
Energy: 0.5363392032628879
Energy: 0.5347347998100188
Energy: 0.5052941625285708
Energy: 0.5052893455530679
Energy: 0.5347409447330972
Energy: 0.500338253527683
Energy: 0.4935573103682753
Energy: 0.5388897276353073
Energy: 0.5053617835429115
Energy: 0.5043100649735874
Energy: 0.5320703040027498
Energy: 0.503418450829876
Energy: 0.49383468602094216
Energy: 0.5537496013933202
Energy: 0.5359890460447938
Energy: 0.5343515732013977
Energy: 0.5129022321378586
Energy: 0.5357541044002259
Energy: 0.5370190327036365
Energy: 0.49680323871856286
Energy: 0.5434442528236412
Energy: 0.5424637498277779
Energy: 0.4972397364165885
Energy: 0.5482004284590032
Energy: 0.5443289153014564
Energy: 0.571732126329429
Energy: 0.5632155117057995
Energy: 0.5843561119760038
Energy: 0.5641526630870681
Energy: 0.5966201380544185
Energy: 0.5851999375155007
Energy: 0.5744884055068247
Energy: 0.5594511130582008
Energy: 0.562187429893874
Energy: 0.5671197191660987
Energy: 0.5674913118850633
Energy: 0.5706682236750958
Energy: 0.5827016738963843
Energy: 0.5392460862024924
Energy: 0.53700069693057
Energy: 0.5707349986068044
Energy: 0.5378818392869229
Energy: 0.5492078341139425

minimum gb energy = 0.45879385133369543 eV
minimum distance =  2.63703788294097 Angstroms
sigma value = 19


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

Energy: 0.6768739816163608
Energy: 0.5413216232290735
Energy: 0.5153010765175157
Energy: 0.569319959286111
Energy: 0.5322944045700303
Energy: 0.5711615358226682
Energy: 0.5925600275659676
Energy: 0.48233355000352096
Energy: 0.4831671008845951
Energy: 0.4836002717312159
Energy: 0.5069307940721859
Energy: 0.5448253920359185
Energy: 0.5205238758601938
Energy: 0.4873064747093326
Energy: 0.49344797329202283
Energy: 0.5088380185985718
Energy: 0.4846122309514164
Energy: 0.49484272000201546
Energy: 0.523281777750889
Energy: 0.5272997475266346
Energy: 0.5288076874663888
Energy: 0.5190096816862756
Energy: 0.48297070493866956
Energy: 0.5184464558803505
Energy: 0.48279081873329804
Energy: 0.5086430421979751
Energy: 0.5048591122094984
Energy: 0.4845075695937567
Energy: 0.5095926932128326
Energy: 0.4994433699448789
Energy: 0.5348799202027129
Energy: 0.5352044269711997
Energy: 0.5435031843971131
Energy: 0.5073415670722246
Energy: 0.5300527276615165
Energy: 0.48353668416913737
Energy: 0.5313459432352903
Energy: 0.4627742246100515
Energy: 0.4614558951803463
Energy: 0.5320257998545308
Energy: 0.4624483636686325
Energy: 0.4975800953071032
Energy: 0.5294848428786966
Energy: 0.4912480507550541
Energy: 0.5348277116171277
Energy: 0.5208399062327074
Energy: 0.4770604026207064
Energy: 0.5432276489290632
Energy: 0.48245369199517113
Energy: 0.4965410932001527
Energy: 0.49536670465366556
Energy: 0.48245750370598217
Energy: 0.5105426885784271
Energy: 0.497459582919094
Energy: 0.5202269632718446
Energy: 0.5055787424964311
Energy: 0.5018150868040467
Energy: 0.48444369103761503
Energy: 0.5109792552801727
Energy: 0.4984366621077932
Energy: 0.5376340947854114
Energy: 0.5948994716925995
Energy: 0.49491885799967883
Energy: 0.538007035138312
Energy: 0.5937005103774293
Energy: 0.4959741422320723
Energy: 0.5218612370280762
Energy: 0.4713640593335545
Energy: 0.4684385361650117
Energy: 0.501553570855212
Energy: 0.4754065138952705
Energy: 0.4761108315857808
Energy: 0.5146354446400936
Energy: 0.5099960187035694
Energy: 0.5018772669198467
Energy: 0.46220739166504415
Energy: 0.5126279116129996
Energy: 0.46267067229562736
Energy: 0.5603028637861354
Energy: 0.5160155516295349
Energy: 0.5153560419347012
Energy: 0.46824152666474533
Energy: 0.5153812679337285
Energy: 0.5146809287555921
Energy: 0.5221564643656156
Energy: 0.46818730758464006
Energy: 0.4739723154452598
Energy: 0.48184543081311854
Energy: 0.4694745959229314
Energy: 0.49599039965914166
Energy: 0.5246880844718781
Energy: 0.47935001613777706
Energy: 0.47740404856185936
Energy: 0.5030737858151689
Energy: 0.47090764434898275
Energy: 0.4780753251588986
Energy: 0.4920758346020656
Energy: 0.5038288532471884
Energy: 0.49848626244011945
Energy: 0.5921120865187735
Energy: 0.5033061355463901
Energy: 0.4894895963523915
Energy: 0.5486941928660126
Energy: 0.4953162870062132
Energy: 0.49260243404917886
Energy: 0.4727699719977644
Energy: 0.5045468342122744
Energy: 0.482966207907877
Energy: 0.5227691577428795
Energy: 0.4637343977108067
Energy: 0.46251147227889294
Energy: 0.5035556970408356
Energy: 0.4633405624150607
Energy: 0.49397814520557143
Energy: 0.5028459942875176
Energy: 0.46417781022693677
Energy: 0.4626439496423799
Energy: 0.5048394247064378
Energy: 0.46321174523470876
Energy: 0.4965884624160346
Energy: 0.47694187793257486
Energy: 0.4954613970749186
Energy: 0.49678753498972256
Energy: 0.47616509794960854
Energy: 0.5041756981103218
Energy: 0.4813643378464944
Energy: 0.482316760739918
Energy: 0.5003674832530327
Energy: 0.4984416907167563
Energy: 0.4827185306295665
Energy: 0.4998213675676149
Energy: 0.4746296239063577
Energy: 0.5074163393527256
Energy: 0.46031835417070105
Energy: 0.4596804296492775
Energy: 0.507692599188902
Energy: 0.460165201940121
Energy: 0.49625829578260433
Energy: 0.5206613724571821
Energy: 0.4610729962477126
Energy: 0.48157051861066325
Energy: 0.5118560661993641
Energy: 0.46085835077370996
Energy: 0.4938633301284536
Energy: 0.5342856328087925
Energy: 0.48744738409176547
Energy: 0.4998713055828842
Energy: 0.4830894760123922
Energy: 0.4998881651095111
Energy: 0.4854222097620971
Energy: 0.48790531872005855
Energy: 0.5059121667057564
Energy: 0.5024679401495242
Energy: 0.48067144841217235
Energy: 0.5043944699317915
Energy: 0.49396429078084253
Energy: 0.5213232537457936
Energy: 0.49047252340434416
Energy: 0.4945709533748671
Energy: 0.5116561795814192
Energy: 0.4833183239329574
Energy: 0.5013103271681203
Energy: 0.5199960587934762
Energy: 0.4833504140390153
Energy: 0.4848982669647092
Energy: 0.5062392107188795
Energy: 0.4829935279164205
Energy: 0.4997996880244565
Energy: 0.5361511077362102
Energy: 0.5327935187705195
Energy: 0.5331065926637024
Energy: 0.4594040091702332
Energy: 0.5303595081797952
Energy: 0.4630437914004915

minimum gb energy = 0.4594040091702332 eV
minimum distance =  2.59727467173315 Angstroms
sigma value = 101


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

Energy: 0.6747119429535291
Energy: 0.533535647532175
Energy: 0.4875916843825417
Energy: 0.6568733997544585
Energy: 0.5460600732366622
Energy: 0.6499956045890471
Energy: 0.5315183303425864
Energy: 0.4530366957561037
Energy: 0.4535694335669959
Energy: 0.5122005214824954
Energy: 0.4529175228671002
Energy: 0.4672201626030041
Energy: 0.5608536507152578
Energy: 0.464925463937285
Energy: 0.46407019215715534
Energy: 0.46384712881925977
Energy: 0.46528125534012865
Energy: 0.48226809534627213
Energy: 0.4745262654256644
Energy: 0.46402338562671946
Energy: 0.46448330984918235
Energy: 0.4640009477860076
Energy: 0.45219348811250837
Energy: 0.4641981244722508
Energy: 0.46036327881243344
Energy: 0.46353083935974504
Energy: 0.48441631602694896
Energy: 0.46250967740611965
Energy: 0.46402414908161327
Energy: 0.4840863401940656
Energy: 0.47451366790867616
Energy: 0.4652740035967652
Energy: 0.4654426429503373
Energy: 0.48365944351603496
Energy: 0.46529685194230225
Energy: 0.4643516977198826
Energy: 0.5280723538923668
Energy: 0.49465917178111635
Energy: 0.4497649843102742
Energy: 0.5156193919734474
Energy: 0.4627601193882076
Energy: 0.48475021054171047
Energy: 0.48049119421649794
Energy: 0.506121482037435
Energy: 0.45342579362202473
Energy: 0.46708023893454886
Energy: 0.4492759859949943
Energy: 0.45183224805471073
Energy: 0.4657923029975555
Energy: 0.4537210191601277
Energy: 0.4537489297258425
Energy: 0.4514219872046092
Energy: 0.4813792487249413
Energy: 0.46513101111171884
Energy: 0.45129220681183047
Energy: 0.4675562151439962
Energy: 0.46632107313658805
Energy: 0.4513888840949168
Energy: 0.4966862944692578
Energy: 0.4634320987406322
Energy: 0.5078070087348159
Energy: 0.43607358994968903
Energy: 0.4369894882837869
Energy: 0.5088031490634819
Energy: 0.6538511140682068
Energy: 0.47830263931987144
Energy: 0.5432975911847996
Energy: 0.46522794116388316
Energy: 0.4647113028456867
Energy: 0.48547572375765763
Energy: 0.4639099601707144
Energy: 0.46315506052346467
Energy: 0.4733030209159361
Energy: 0.4817542363989885
Energy: 0.4633612599913791
Energy: 0.44938760807327893
Energy: 0.48116805437139726
Energy: 0.4666666959198653
Energy: 0.4725097168157662
Energy: 0.4956301136080908
Energy: 0.479098774803331
Energy: 0.44833711256756875
Energy: 0.5002219305272725
Energy: 0.46440845729352
Energy: 0.5272908378105715
Energy: 0.4640393329424402
Energy: 0.467609986588838
Energy: 0.48021491774962316
Energy: 0.46321344890799643
Energy: 0.4663332859770023
Energy: 0.5288943678046801
Energy: 0.46312676801535174
Energy: 0.463449571394393
Energy: 0.46328211666549424
Energy: 0.45082957235235166
Energy: 0.4647656233001824
Energy: 0.4830068416284241
Energy: 0.5361187067177148
Energy: 0.4988903023709447
Energy: 0.43445423899092206
Energy: 0.5356817439995641
Energy: 0.434332462809156
Energy: 0.570980178680415
Energy: 0.5189558366293243
Energy: 0.46422450524869363
Energy: 0.4664820012046648
Energy: 0.5207629861686782
Energy: 0.48536575005922533
Energy: 0.5276377126743459
Energy: 0.46343437796761483
Energy: 0.46335380921597197
Energy: 0.4640624775212829
Energy: 0.4640289725649238
Energy: 0.4647432785262553
Energy: 0.514868341304913
Energy: 0.46386518151138767
Energy: 0.46332141237764984
Energy: 0.4635112666779007
Energy: 0.4642726486232107
Energy: 0.4657472529173021
Energy: 0.46191119886583426
Energy: 0.46376670432710637
Energy: 0.4828624550081221
Energy: 0.46315653119085165
Energy: 0.48102993935782307
Energy: 0.48324052488705327
Energy: 0.5078709324220805
Energy: 0.46481651835799825
Energy: 0.46529076285894655
Energy: 0.46618246717729056
Energy: 0.46469699834473066
Energy: 0.4636821380163461
Energy: 0.5402616450634595
Energy: 0.46329329065269215
Energy: 0.44840845726599304
Energy: 0.5346661811583947
Energy: 0.46099601481003805
Energy: 0.4485667843799637
Energy: 0.5199857751520413
Energy: 0.44874632396662795
Energy: 0.45081244074520194
Energy: 0.5209662262532097
Energy: 0.448917104126791
Energy: 0.5185485974347303
Energy: 0.4805404207847534
Energy: 0.46360673731169233
Energy: 0.46512230031519297
Energy: 0.4675232162045215
Energy: 0.4630335703944111
Energy: 0.46527661538696014
Energy: 0.451101234660862
Energy: 0.46384481438238523
Energy: 0.46526501117174357
Energy: 0.4519977917030107
Energy: 0.46416876152954906
Energy: 0.4654468329471869
Energy: 0.508377377812769
Energy: 0.43618820783981205
Energy: 0.4361409712693129
Energy: 0.5032831063326683
Energy: 0.4392836273134906
Energy: 0.43631284741411536
Energy: 0.5342108805406481
Energy: 0.43690535233538014
Energy: 0.4378721003565538
Energy: 0.4636340165717805
Energy: 0.43624462567136574
Energy: 0.4665967562637537
Energy: 0.47315176370308387
Energy: 0.46283553589118825
Energy: 0.4640920255281585
Energy: 0.44807316282385246
Energy: 0.46410466309543574
Energy: 0.4668156794117829
Energy: 0.4752145179468927
Energy: 0.4970899911882277
Energy: 0.46437391539842904
Energy: 0.449069143268507
Energy: 0.49971011723199277
Energy: 0.4672241373505153
Energy: 0.5335445828693758
Energy: 0.4625262596254434
Energy: 0.46487523537011644
Energy: 0.463121924725483
Energy: 0.46438863149845755
Energy: 0.46496727247545433
Energy: 0.5279450314600348
Energy: 0.4634072621731028
Energy: 0.46292875513045184
Energy: 0.48196406506788186
Energy: 0.45194923448687674
Energy: 0.46437725728610835
Energy: 0.4851596484159857
Energy: 0.5349220001310685
Energy: 0.4824759827488372
Energy: 0.4344388616834101
Energy: 0.5364704305415625
Energy: 0.48295852877977485

minimum gb energy = 0.434332462809156 eV
minimum distance =  2.58117527729977 Angstroms
sigma value = 33


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

Energy: 0.01181210502249981
Energy: 0.014016141119475908
Energy: 0.012209343352213312
Energy: 0.013294742785381692
Energy: 0.4786476306392456
Energy: 0.012218883117626016
Energy: 0.012867075726070454
Energy: 0.06459450235717368
Energy: 0.06474870062694248
Energy: 0.0642250285999423
Energy: 0.06416157325001169
Energy: 0.06421774601952324
Energy: 0.6925431637889354
Energy: 0.4811473586982996
Energy: 0.47941202656054804
Energy: 0.47840817037509276
Energy: 0.47837052046373213
Energy: 0.4792323265481716
Energy: 0.012867075726783025
Energy: 0.06459450235612461
Energy: 0.06474870062763526
Energy: 0.0642250285992495
Energy: 0.06416157325034819
Energy: 0.06421774601952324

minimum gb energy = 0.01181210502249981 eV
minimum distance =  2.81598470583982 Angstroms
sigma value = 1