Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.153700065612796
cohesive_energy=3.0333095737378044
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.71113339743384e-20, 1.13971635947907e-19, 1.55646653463198e-19, 1.9318885635108597e-19, 2.2723671200021997e-19, 2.5822441027841396e-19, 2.86475590865736e-19, 3.12236988963822e-19, 3.3571047882855603e-19, 3.5705948247660597e-19, 3.7642178709849595e-19, 3.9391435158850797e-19, 4.09639715251218e-19, 4.2368759997813e-19, 4.3613651242431e-19, 4.4705855053828795e-19, 4.565161992087899e-19, 4.6456553461800595e-19, 4.71259428594858e-19, 4.76647548615e-19, 4.80771551270916e-19, 4.836714909784559e-19, 4.8538742215347e-19, 4.85951388328638e-19, 4.853361525011819e-19, 4.83323818648878e-19, 4.7963080150750795e-19, 4.739158374540299e-19, 4.657639627402379e-19, 4.54667287373154e-19, 4.4000576899542e-19, 4.2101837370588596e-19, 3.96758215113858e-19, 3.66050897746614e-19, 3.2741761257097196e-19, 2.78991823808322e-19, 2.1839429915717397e-19, 1.425602349343494e-19, 4.75099845986556e-20, -7.19910833485122e-20, -2.2291083508841996e-19, -4.1464651723246803e-19, -6.60085557971562e-19, -9.772171965522539e-19, -1.3916233872896218e-18, -1.94058838263348e-18, -2.6798326815610795e-18, -3.6953723410219795e-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: 0.010024647688716672
Energy: 0.012665423274708267
Energy: 0.07128170054448665
Energy: 0.07110547757682478
Energy: 0.012293310353607366
Energy: 0.010917681490292996
Energy: 0.07003133303693056
Energy: 0.07143440235107135
Energy: 0.07072853925803006
Energy: 0.011856815914100443
Energy: 0.01035515269522517
Energy: 0.06959999389772528
Energy: 0.06992650512878362
Energy: 0.07087784606971648
Energy: 0.07168559332970513
Energy: 0.07021486837401618
Energy: 0.06978046422242198
Energy: 0.0697080235751499
Energy: 0.07076723318040992
Energy: 0.07120689853377861
Energy: 0.07148377215523832
Energy: 0.012338022121806324
Energy: 0.010325329817133909
Energy: 0.07012111291108622
Energy: 0.07051110816547702
Energy: 0.07141193441550478
Energy: 0.011739458884759081
Energy: 0.010336915377925497
Energy: 0.06988846025043897
Energy: 0.07100465349507784
Energy: 0.0706007704685999
Energy: 0.010866305528861525
Energy: 0.01078451248987628
Energy: 0.06945822887492395
Energy: 0.07017589368960996
Energy: 0.07117755282581037
Energy: 0.010643237004994548
Energy: 0.010398555803488484
Energy: 0.0693939424158139
Energy: 0.06989351755188329
Energy: 0.07042432887766853
Energy: 0.07065062819533614
Energy: 0.0715115228226542
Energy: 0.011011103571525373
Energy: 0.010503949882470439
Energy: 0.07001193945006773
Energy: 0.07110458847248542
Energy: 0.07159296765848795
Energy: 0.011735211575874191
Energy: 0.06966826351117542
Energy: 0.07066943629088715
Energy: 0.06997576517042317
Energy: 0.07064004356869946
Energy: 0.010834205957510971
Energy: 0.01305664362090742
Energy: 0.06961690130848963
Energy: 0.06984361774561432
Energy: 0.0711084887284679
Energy: 0.010643587251346722
Energy: 0.013850259864933842
Energy: 0.013825555153172428
Energy: 0.07166949381355536
Energy: 0.07033432652580784
Energy: 0.07056942609557582
Energy: 0.07212946819588138
Energy: 0.013522407536020095
Energy: 0.07208467843551973
Energy: 0.07035997829786464
Energy: 0.07097998375148555
Energy: 0.07157169571911402

minimum gb energy = 0.010024647688716672 eV
minimum distance =  2.89753688102312 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.7333449505901986
Energy: 0.5522481224444812
Energy: 0.5605886874109031
Energy: 0.557820390591407
Energy: 0.5612590280116602
Energy: 0.5785372789455734
Energy: 0.5569235752478875
Energy: 0.5625448711470682
Energy: 0.5659118897568802
Energy: 0.5526125624262483
Energy: 0.4972758849936588
Energy: 0.5710581391905073
Energy: 0.5527956703720903
Energy: 0.5114845689389347
Energy: 0.47790775602961616
Energy: 0.5136402878670319
Energy: 0.5681285072150958
Energy: 0.5459452286350245
Energy: 0.522774705070993
Energy: 0.5530305419100104
Energy: 0.510824360557883
Energy: 0.5834264052848218
Energy: 0.4955302328107544
Energy: 0.54432130330532
Energy: 0.5552754066555972
Energy: 0.4526603092281099
Energy: 0.6402721276131423
Energy: 0.4985938701123226
Energy: 0.5423084641301359
Energy: 0.5481197500815587
Energy: 0.4999168783212047
Energy: 0.6049299269167555
Energy: 0.5167655553103595
Energy: 0.4545206201716036
Energy: 0.5023078522960002
Energy: 0.45383412546154345
Energy: 0.571736011968639
Energy: 0.5155826731078336
Energy: 0.5381756177866828
Energy: 0.5469072321294602
Energy: 0.5920477217540991
Energy: 0.5596572740042736
Energy: 0.5767221652799396
Energy: 0.6275443361134331
Energy: 0.4732247043546543
Energy: 0.5429045996116652
Energy: 0.5581586903498984
Energy: 0.5968048313907863
Energy: 0.5522086930078612
Energy: 0.4838323025396527
Energy: 0.5590904830977731
Energy: 0.5678004251125889
Energy: 0.5878030418165293
Energy: 0.5046098866192127
Energy: 0.6780359262127649
Energy: 0.5595519894730743
Energy: 0.5673928553263471
Energy: 0.5865636317796491
Energy: 0.5310048382588474
Energy: 0.5970052520580611
Energy: 0.5805701065644714
Energy: 0.6025246902559706
Energy: 0.6128427477660955
Energy: 0.4687652903366732
Energy: 0.5804462444154525
Energy: 0.5772672185683718
Energy: 0.5751742948315632
Energy: 0.6129359191069299
Energy: 0.5060076058581637
Energy: 0.5876729345736486
Energy: 0.5813098631094912
Energy: 0.5761780742778811
Energy: 0.5805082790915589
Energy: 0.5677053409487464
Energy: 0.5753996719853439
Energy: 0.5755215647266853
Energy: 0.576931629211744
Energy: 0.5815145762899977
Energy: 0.5678444673375231
Energy: 0.5836416632183553
Energy: 0.5828757317877147
Energy: 0.5256679006628807
Energy: 0.5071966402806933
Energy: 0.5353017181602157
Energy: 0.5831945583318292
Energy: 0.5237915690900452
Energy: 0.5218980607453816
Energy: 0.4844753298324733
Energy: 0.46978738304011697
Energy: 0.5789472924530156
Energy: 0.6099342793147853
Energy: 0.5409017798954475
Energy: 0.505019611295754
Energy: 0.5202733861444275
Energy: 0.5156893042917604
Energy: 0.5357157483169227
Energy: 0.5541940804473025
Energy: 0.5082073822286372
Energy: 0.5321569331954532
Energy: 0.5218099612839927
Energy: 0.598077592513606
Energy: 0.507618186003718
Energy: 0.5405674790211165
Energy: 0.5289260925269733
Energy: 0.49032353706276177
Energy: 0.5811823184047041
Energy: 0.5103295167420493
Energy: 0.5567795645675818
Energy: 0.48413090657795343
Energy: 0.5334890243090924
Energy: 0.6844276075640439
Energy: 0.4724503131865128
Energy: 0.5041535476512518
Energy: 0.5438141386990055
Energy: 0.6252829218948215
Energy: 0.48344033527104574
Energy: 0.4704384660707898
Energy: 0.47181807827376904
Energy: 0.5441432102474091
Energy: 0.6140107068159139
Energy: 0.6235284668940287
Energy: 0.6249057821206137
Energy: 0.5888237876715642
Energy: 0.5905455186620615
Energy: 0.5925768361485868
Energy: 0.5583538427834704
Energy: 0.6061061954892256
Energy: 0.622991853633173
Energy: 0.5911710750594398
Energy: 0.5884685745093905
Energy: 0.5510733101627902
Energy: 0.535902318435632
Energy: 0.5813847994858611
Energy: 0.5771839109719226
Energy: 0.540736617951439
Energy: 0.48168720246871893
Energy: 0.47239869768314313
Energy: 0.5778952041669987
Energy: 0.5771706120911911
Energy: 0.5410954436353753
Energy: 0.598669643137145
Energy: 0.5806714321328749
Energy: 0.5706791501042958
Energy: 0.5809332653718385
Energy: 0.5728985921387456
Energy: 0.6033940929580609
Energy: 0.5755773247352303
Energy: 0.575898494271292
Energy: 0.5794962704318717
Energy: 0.5859185019317457
Energy: 0.5330190540845898
Energy: 0.6114616830753018
Energy: 0.576691071746523
Energy: 0.5206327224683777
Energy: 0.47124940363838713
Energy: 0.4744268467098894
Energy: 0.5889082195675915
Energy: 0.5758302258828868
Energy: 0.524279198867304
Energy: 0.5391521365407351
Energy: 0.5460347890801105
Energy: 0.5162307450872726
Energy: 0.4902284062329069
Energy: 0.5331320821587462
Energy: 0.5303161649330943
Energy: 0.4684005397023008
Energy: 0.5160838299645251
Energy: 0.49181493988802216
Energy: 0.5265672643922069
Energy: 0.5498906589940796
Energy: 0.5522428982506212
Energy: 0.4791752153205676
Energy: 0.5156344393547043
Energy: 0.4684750883675923
Energy: 0.5030971767225084
Energy: 0.4691450824217711
Energy: 0.4995618429570463
Energy: 0.515573037265409
Energy: 0.5293906959481112
Energy: 0.5069931177684848
Energy: 0.4693486368333052
Energy: 0.6032349531257362
Energy: 0.5782998246158182
Energy: 0.504574458488805
Energy: 0.4695497055215312
Energy: 0.47049639609367294
Energy: 0.5762347962401465
Energy: 0.6007332784767739
Energy: 0.5369170139182216
Energy: 0.5279166507827596
Energy: 0.5918322337451407
Energy: 0.5855243622560544
Energy: 0.5985909231568513
Energy: 0.5043171085913151
Energy: 0.6207716744804986
Energy: 0.5921725920400592
Energy: 0.5843267391906845
Energy: 0.5873436369952293
Energy: 0.5685143658682932
Energy: 0.6075630844275015
Energy: 0.5821248693642199
Energy: 0.5745073467698083
Energy: 0.5832725855066373
Energy: 0.5056641905479754
Energy: 0.5809778395638259
Energy: 0.5776536783599565
Energy: 0.6092933991147739
Energy: 0.5536444085925394
Energy: 0.504974565292534
Energy: 0.5852830507008357
Energy: 0.5804657025844193
Energy: 0.5721558389188887
Energy: 0.5950506093722366
Energy: 0.5308345761524693
Energy: 0.5747738152574494
Energy: 0.5749179012467491
Energy: 0.5727601251513857
Energy: 0.5479490472883981
Energy: 0.5297051568619937
Energy: 0.5763810180343883
Energy: 0.5803638539166062
Energy: 0.5282999509046284
Energy: 0.483930072384394
Energy: 0.4964508729485326
Energy: 0.5846486615502997
Energy: 0.5786386378157674
Energy: 0.5267648075294862
Energy: 0.48374412960357055
Energy: 0.5559409057058707
Energy: 0.5782986589249242
Energy: 0.5322641410373203
Energy: 0.5542398478637837
Energy: 0.5060212404551149
Energy: 0.5399996804584914
Energy: 0.568190750961465
Energy: 0.5288541528935121
Energy: 0.5542179458244049
Energy: 0.5059228276621958
Energy: 0.516735758733667
Energy: 0.5437968014407815
Energy: 0.579480632632006
Energy: 0.507896577867388
Energy: 0.5336532068022471
Energy: 0.48491225115577247
Energy: 0.5111073148174221
Energy: 0.482647503834668
Energy: 0.5082948440843231
Energy: 0.5568840869518066
Energy: 0.5033295741629318
Energy: 0.5158376114482256
Energy: 0.5203807598726077
Energy: 0.47384795100175253
Energy: 0.5164051373923294
Energy: 0.5294434675550549
Energy: 0.5663173014383894
Energy: 0.5146098047735821
Energy: 0.4557422713106296
Energy: 0.5086465150203469
Energy: 0.5806874643051084
Energy: 0.6176024292190949
Energy: 0.6473403728102972
Energy: 0.563064975379503
Energy: 0.6038730783198174
Energy: 0.5909678004042176
Energy: 0.591588139740748
Energy: 0.5388697705097738
Energy: 0.5492171214037869
Energy: 0.5260968316915464
Energy: 0.5767162709479758
Energy: 0.5916752107647406
Energy: 0.5090061715110307
Energy: 0.551364237491969
Energy: 0.5684680194550804
Energy: 0.5534358773024604
Energy: 0.5231745485404659
Energy: 0.455759372888956
Energy: 0.45596541999016643
Energy: 0.5656972247303113
Energy: 0.5523683162480216
Energy: 0.5759106784713632
Energy: 0.6023981704802344
Energy: 0.551690089410347
Energy: 0.5678536543992022
Energy: 0.5499730247437765
Energy: 0.5441780598141638
Energy: 0.5676387195243972
Energy: 0.562771648849881
Energy: 0.5615635045578554
Energy: 0.5613915871566221
Energy: 0.5960678757973253

minimum gb energy = 0.4526603092281099 eV
minimum distance =  2.66804061080867 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.9567383602349218
Energy: 0.5037426919866099
Energy: 0.5118352094466683
Energy: 0.5186542938825854
Energy: 0.5118692321089353
Energy: 0.5108667257640789
Energy: 0.5092197962941126
Energy: 0.5173841877939869
Energy: 0.5218428531450068
Energy: 0.5077349397570683
Energy: 0.5029760801193289
Energy: 0.534443731081181
Energy: 0.5183245422634057
Energy: 0.5232794060896576
Energy: 0.5165353541503941
Energy: 0.5541195854060156
Energy: 0.5237618182272156
Energy: 0.5376163116690369
Energy: 0.5494607266303383
Energy: 0.5195475653784524
Energy: 0.5790402710685307
Energy: 0.5187510222672016
Energy: 0.5055115433346521
Energy: 0.518293938734725
Energy: 0.5413580794395522
Energy: 0.5407150049708987
Energy: 0.5114299710459198
Energy: 0.5057096671989857
Energy: 0.5527040701772248
Energy: 0.501168525966515
Energy: 0.5541542916195346
Energy: 0.5327091907807224
Energy: 0.5206170675762513
Energy: 0.5188298981481297
Energy: 0.5155626220760389
Energy: 0.5280646999651054
Energy: 0.5287279643513842
Energy: 0.5326691177787147
Energy: 0.5224470484795142
Energy: 0.525290505464529
Energy: 0.5320172756927486
Energy: 0.5472372822050381
Energy: 0.5217692155587383
Energy: 0.5355009198353149
Energy: 0.5217051663963435
Energy: 0.5450080087000322
Energy: 0.5291163954471043
Energy: 0.5641171264359665
Energy: 0.5351905507409971
Energy: 0.5295885634005012
Energy: 0.5179412015786813
Energy: 0.5321048528159841
Energy: 0.520092118826288
Energy: 0.5270302450520606
Energy: 0.5216640378939327
Energy: 0.517402942291898
Energy: 0.5314741087432002
Energy: 0.5202219936431931
Energy: 0.5223500306837068
Energy: 0.5227524415312323
Energy: 0.520668513343823
Energy: 0.5643372925220436
Energy: 0.5427348328169712
Energy: 0.5345878268877909
Energy: 0.540520995257785
Energy: 0.5203506239693695
Energy: 0.5618420043734775
Energy: 0.5240608033472226
Energy: 0.5389907213347706
Energy: 0.5193598757939026
Energy: 0.5528515031336324
Energy: 0.5296323880840458
Energy: 0.5239769756344708
Energy: 0.6941014402651008
Energy: 0.5336404337912838
Energy: 0.5115125364874197
Energy: 0.5433137717473042
Energy: 0.5004893257234084
Energy: 0.6949662951238282
Energy: 0.521326542887646
Energy: 0.5129241885949797
Energy: 0.520703776870876
Energy: 0.5428234991923365
Energy: 0.5347523719662919
Energy: 0.5288613273697432
Energy: 0.5354049618510787
Energy: 0.5548481983091201
Energy: 0.5314719310381837
Energy: 0.5371651583600218
Energy: 0.5312823239899235
Energy: 0.5125211871558719
Energy: 0.5361878213199293
Energy: 0.5311002728793508
Energy: 0.6040157347904757
Energy: 0.5343612740055333
Energy: 0.5238137973081404
Energy: 0.5320450058515522
Energy: 0.5182011666310165
Energy: 0.6259318810287846
Energy: 0.5480212963337996
Energy: 0.5219999162052746
Energy: 0.5174426707942602
Energy: 0.5382505663423758
Energy: 0.5167117928525542
Energy: 0.5261164931185346
Energy: 0.5201721396468932
Energy: 0.5159910744943549
Energy: 0.5308548247071078
Energy: 0.5138208321451122
Energy: 0.5397199119649062
Energy: 0.5242337124388299
Energy: 0.5325776616845812
Energy: 0.5342976382654643
Energy: 0.5342082691326968
Energy: 0.5261807745913899
Energy: 0.5464062445224285
Energy: 0.5280704905056445
Energy: 0.5705648943964655
Energy: 0.524965393259031
Energy: 0.524959992656025
Energy: 0.5255253173480969
Energy: 0.5032613935238616
Energy: 0.5595188473891781
Energy: 0.5069582267647801
Energy: 0.5259096960366991
Energy: 0.5252166233651329
Energy: 0.5191763032878708
Energy: 0.5897573450328243
Energy: 0.5080079880203545
Energy: 0.5485524947578775
Energy: 0.5278061230608658
Energy: 0.559307517850803
Energy: 0.5615483856103
Energy: 0.5306161811346819
Energy: 0.5373496035186273
Energy: 0.5341947396314978
Energy: 0.5342803462716638
Energy: 0.5610026590732092
Energy: 0.5341952069679085
Energy: 0.5536441063891806
Energy: 0.5435133963004892
Energy: 0.5174067858708021
Energy: 0.5384233450379933
Energy: 0.5198002658291748
Energy: 0.6048096072548749
Energy: 0.53001113021625
Energy: 0.5181011849630413
Energy: 0.5367758629229423
Energy: 0.5206015212947026
Energy: 0.6147101267296421
Energy: 0.5240096593857122
Energy: 0.5245960745330743
Energy: 0.5461090982428952
Energy: 0.5339671375693791
Energy: 0.5146987696318293
Energy: 0.5370598534699305
Energy: 0.5255359017676797
Energy: 0.519984032861036
Energy: 0.5375692270316383
Energy: 0.5185502763337481
Energy: 0.5401641455044903
Energy: 0.5409973212489376
Energy: 0.5332669631191973
Energy: 0.5595344661499922
Energy: 0.5339314848239953
Energy: 0.5312035729721942
Energy: 0.5322294629314684
Energy: 0.5303173640708808
Energy: 0.5599007372886446
Energy: 0.5118470835211721
Energy: 0.5228817316387043
Energy: 0.5160698995160762
Energy: 0.5609631787033744
Energy: 0.5698117950609765
Energy: 0.5100887501041893
Energy: 0.5176137406974397
Energy: 0.5160746967227892
Energy: 0.5644665470594281
Energy: 0.5859470587293509
Energy: 0.5158060617952306
Energy: 0.5397031495852798
Energy: 0.5251121699451402
Energy: 0.5343329938612202
Energy: 0.5744274036872127
Energy: 0.5262740360790874
Energy: 0.5547940100212817
Energy: 0.5329264141017533
Energy: 0.5247079151112303
Energy: 0.5690606429683838
Energy: 0.5248298181311815
Energy: 0.5254309268368921
Energy: 0.5366309879751016
Energy: 0.5226415014582153
Energy: 0.5355122465909036
Energy: 0.520885647105804
Energy: 0.5270248205351958
Energy: 0.5442676055226455
Energy: 0.5123819614316142
Energy: 0.5477501909953892
Energy: 0.5211570484900916
Energy: 0.5182177619207571
Energy: 0.5382147517242307
Energy: 0.5358415133422901
Energy: 0.5784972681014303
Energy: 0.5361031284755452
Energy: 0.5151175368729398
Energy: 0.5278360274240391
Energy: 0.5231974833018679
Energy: 0.5810947163648414
Energy: 0.5578775813495775
Energy: 0.5451523509372537
Energy: 0.5367582817484131
Energy: 0.5339711660260679
Energy: 0.5423553061661156
Energy: 0.5642915403825727
Energy: 0.500631243398553
Energy: 0.5284425099346649
Energy: 0.5279520314971502
Energy: 0.5350774411526649
Energy: 0.5249769427728278
Energy: 0.5512609660137445
Energy: 0.5184145852115591
Energy: 0.5562791220589463
Energy: 0.5162071648632599
Energy: 0.5377134729296276
Energy: 0.49820732383948446
Energy: 0.5254451977628823
Energy: 0.5155831631563573
Energy: 0.5631902015544648
Energy: 0.5302355093764773
Energy: 0.5252696820238273
Energy: 0.544657322451453
Energy: 0.5263610149427563
Energy: 0.5276970160245011
Energy: 0.52504237802543
Energy: 0.5284390187128809
Energy: 0.5401160433839955
Energy: 0.5271561169638095
Energy: 0.5398801428462014
Energy: 0.5510991646644038
Energy: 0.5232488063294658
Energy: 0.5138654504121297
Energy: 0.5389729426453463
Energy: 0.6097059603226287
Energy: 0.5355107207225053
Energy: 0.5276969697664563
Energy: 0.5145612094047151
Energy: 0.5429431819549246
Energy: 0.6108630306272372
Energy: 0.5259751762497509
Energy: 0.538297868902908
Energy: 0.516819624534693
Energy: 0.5332771869709728
Energy: 0.5256911978048792
Energy: 0.5732355027142757
Energy: 0.5472987638020692
Energy: 0.5151595722873061
Energy: 0.5391290976333986
Energy: 0.5249209476381981
Energy: 0.5176810164203612
Energy: 0.5242774646182449
Energy: 0.5007140044790789
Energy: 0.5314707823663738
Energy: 0.5275190542958466
Energy: 0.5367513013153609
Energy: 0.5270226670370057
Energy: 0.5114017301536941
Energy: 0.5369546054422557
Energy: 0.5272907934504927
Energy: 0.5358192787358351
Energy: 0.5274785977095399
Energy: 0.49887698048304546
Energy: 0.5252033473033819
Energy: 0.510165812807196
Energy: 0.5282345818057435
Energy: 0.5433061764868867
Energy: 0.4990266656919738
Energy: 0.5236818493376844
Energy: 0.5174911216052456
Energy: 0.5273788930328555
Energy: 0.5181196760946968
Energy: 0.5270265247114824
Energy: 0.5431972135810915
Energy: 0.5277683731502107
Energy: 0.540243208519314
Energy: 0.5925722308511906
Energy: 0.5280132399959855
Energy: 0.5396464868197317
Energy: 0.5368455371504659
Energy: 0.5398081324965062
Energy: 0.5395959602585301
Energy: 0.5206815178953713
Energy: 0.5221544412844491
Energy: 0.5394530902701603
Energy: 0.5290081827994123
Energy: 0.5407322769069844
Energy: 0.5161933451298555
Energy: 0.5224773227565301
Energy: 0.5280784230557217
Energy: 0.5208191912403973
Energy: 0.5169244955248619
Energy: 0.5403142807717273
Energy: 0.5220457761899038
Energy: 0.5399458342550975
Energy: 0.5255855755428667
Energy: 0.5167065191255946
Energy: 0.561389903265339
Energy: 0.5211441161052115
Energy: 0.5389386701708827
Energy: 0.5255328140087216
Energy: 0.5584059984329606
Energy: 0.5190869934373292
Energy: 0.5053829410400623
Energy: 0.535304104617817
Energy: 0.515868769096793
Energy: 0.591481462819439
Energy: 0.5185912600604322
Energy: 0.5138672016310236
Energy: 0.5382047791431378
Energy: 0.5064418907427696
Energy: 0.5265414575324059
Energy: 0.5250305928826399
Energy: 0.5275145663014046
Energy: 0.5259581959836088
Energy: 0.5152602086778211
Energy: 0.5269357810726664
Energy: 0.5441743846134208
Energy: 0.543940547544372
Energy: 0.5282974684061166
Energy: 0.5255916581325203
Energy: 0.5381522923147638
Energy: 0.5917274317585061
Energy: 0.5263068603804958
Energy: 0.5402729063616594
Energy: 0.5145560698121594
Energy: 0.5392073655513722
Energy: 0.5473494903294537
Energy: 0.6106470500559029
Energy: 0.5471986387834238
Energy: 0.5153076282649206
Energy: 0.5229020189198665
Energy: 0.5366347126583979
Energy: 0.52293098470832
Energy: 0.5245712308135123
Energy: 0.5265353804691191
Energy: 0.5241984184995446
Energy: 0.5393113209466952
Energy: 0.51999398382
Energy: 0.5230121380959554
Energy: 0.5269163814109634
Energy: 0.525294291783501
Energy: 0.5799353468016275
Energy: 0.5586134279158721
Energy: 0.5226464544437318
Energy: 0.5416193663433768
Energy: 0.5259965163458776
Energy: 0.5199811386548773
Energy: 0.5233638759429918
Energy: 0.5276791994498949
Energy: 0.5328292290672566
Energy: 0.552517420266776
Energy: 0.5928667385222861
Energy: 0.5119852619007274
Energy: 0.7091866106884758
Energy: 0.5352369144193991
Energy: 0.511395929259994
Energy: 0.5989009555019139
Energy: 0.5126897572833038
Energy: 0.6844949346277708
Energy: 0.52454367066021
Energy: 0.5065751224377207
Energy: 0.5249668561163067
Energy: 0.5388093366072492
Energy: 0.5412104291002154
Energy: 0.5282564326460707
Energy: 0.525475436174202
Energy: 0.5345287139795819
Energy: 0.5283437422486567
Energy: 0.5471694248309166
Energy: 0.5341623710444625
Energy: 0.5179447812105334
Energy: 0.5368530988292077
Energy: 0.540745324170414
Energy: 0.6074414471704038
Energy: 0.5345924391709409
Energy: 0.5141086138088863
Energy: 0.5368744470662119
Energy: 0.5161104214105887
Energy: 0.6191868296078691
Energy: 0.5437178061636075
Energy: 0.5255511565323001
Energy: 0.5208376457648362
Energy: 0.5330395202525147
Energy: 0.5192482073151596
Energy: 0.5289217181292685
Energy: 0.5264148188536196
Energy: 0.5200637511046508
Energy: 0.5354828906111608
Energy: 0.5211050270412664
Energy: 0.5435150620513889
Energy: 0.5275409633027283
Energy: 0.539256009274354
Energy: 0.5943448336323434
Energy: 0.5505054000138362
Energy: 0.5224467843284104
Energy: 0.5436018487815092
Energy: 0.5256353362539798
Energy: 0.5251244891010698
Energy: 0.5372143284859293
Energy: 0.5290434585345336
Energy: 0.5241314538057558
Energy: 0.5033586410911867
Energy: 0.5877459908527178
Energy: 0.5069529612497687
Energy: 0.5224258442980827
Energy: 0.5235999225891076
Energy: 0.5191668576002039
Energy: 0.5991435500847068
Energy: 0.5070695129620301
Energy: 0.5419218136790522
Energy: 0.5296347170067008
Energy: 0.5137352635955128
Energy: 0.5610585102303085
Energy: 0.528816652237692
Energy: 0.541906205985676
Energy: 0.5272815703099628
Energy: 0.5236814671686865
Energy: 0.558797958292927
Energy: 0.5338113969271446
Energy: 0.5474789733265086
Energy: 0.5357215177218826
Energy: 0.5160210231753903
Energy: 0.5343315344506521
Energy: 0.5206025619290802
Energy: 0.605783800793285
Energy: 0.5149821953675172
Energy: 0.514106392409584
Energy: 0.5328163826307112
Energy: 0.5198462353973532
Energy: 0.6055258427543834
Energy: 0.5218814201762494
Energy: 0.5252582650407852
Energy: 0.5263585306010297
Energy: 0.5377727717084233
Energy: 0.5204507076469411
Energy: 0.5273809793506823
Energy: 0.5244923083412655
Energy: 0.5235853729324601
Energy: 0.5397055459355112
Energy: 0.5159890144196859
Energy: 0.5396063960164295
Energy: 0.543704948642612
Energy: 0.5306392126797603
Energy: 0.5911301896442893
Energy: 0.5337753320073021
Energy: 0.5267924457688231
Energy: 0.5271992846626836
Energy: 0.5334792165206141
Energy: 0.5247156852048949
Energy: 0.5119233288562357
Energy: 0.5238425354153472
Energy: 0.5160802931153616
Energy: 0.5585135633947874
Energy: 0.5611496555085217
Energy: 0.5107456367721956
Energy: 0.5282934432261079
Energy: 0.5159841239341391
Energy: 0.5818115059664454
Energy: 0.5734628414441393
Energy: 0.5159543512971478
Energy: 0.5354040329495531
Energy: 0.5240277795636121
Energy: 0.5377867898176142
Energy: 0.5595366316521989
Energy: 0.5229328843131559
Energy: 0.5567890815794294
Energy: 0.5334837016608988
Energy: 0.5216852425031214
Energy: 0.5805345931663443
Energy: 0.5211974149161375
Energy: 0.5221911314304298
Energy: 0.5340144257583357
Energy: 0.5098282075988037
Energy: 0.5308831117003896
Energy: 0.5168831170313521
Energy: 0.5207044456031655
Energy: 0.5458726859027145
Energy: 0.5095986631270546
Energy: 0.5305080684026987
Energy: 0.5177997078504785
Energy: 0.515428039256664
Energy: 0.5479227081089204
Energy: 0.5426698572512594
Energy: 0.5521420836714135
Energy: 0.5346132247174666
Energy: 0.5091232328221699
Energy: 0.5253246559970962
Energy: 0.5199019288789606
Energy: 0.5593042240353685
Energy: 0.5517080677608776
Energy: 0.5459175743755345
Energy: 0.5385872358800766
Energy: 0.522999626338176
Energy: 0.5560397862463584
Energy: 0.5650078880817352
Energy: 0.50062390485424
Energy: 0.5216151740057919
Energy: 0.523677204596477
Energy: 0.5374484075737755
Energy: 0.521525494822299
Energy: 0.5519084689736213
Energy: 0.5221845288367201
Energy: 0.5586461038432113
Energy: 0.5160644138123504
Energy: 0.5633178830443886
Energy: 0.49784102889818377
Energy: 0.5246559927867701
Energy: 0.5550337349237638
Energy: 0.5158888070785058
Energy: 0.545351535605104
Energy: 0.5207553213167584
Energy: 0.5330002094262807
Energy: 0.5319440615825037
Energy: 0.5481115476864068
Energy: 0.5665128164201015
Energy: 0.5219693447618805
Energy: 0.5524985112577243
Energy: 0.5214219646898103
Energy: 0.5467230097955562
Energy: 0.5434930627155036
Energy: 0.519668678974559
Energy: 0.5079390229023963
Energy: 0.5323769109764409
Energy: 0.6144593276836763
Energy: 0.5273019884894169
Energy: 0.5218272960523936
Energy: 0.5246188152689105
Energy: 0.5190437133415302
Energy: 0.6046465625617171
Energy: 0.5227780653063568
Energy: 0.5368546975645607
Energy: 0.5271527244687318
Energy: 0.5195409196542646
Energy: 0.5194356119662398
Energy: 0.5600287921651247
Energy: 0.5332524490193603
Energy: 0.52655870502228
Energy: 0.5404104014450514
Energy: 0.5205340857301645
Energy: 0.5316199886220646
Energy: 0.5671896762413369
Energy: 0.5007600049461353
Energy: 0.5187290442947161
Energy: 0.5175589921123788
Energy: 0.5286311743963816
Energy: 0.504327535618114
Energy: 0.5110923416475229
Energy: 0.5398001475496947
Energy: 0.5233788813336181
Energy: 0.5315721405767292
Energy: 0.5645900771408097
Energy: 0.49887574438873483
Energy: 0.5207837078895962
Energy: 0.5107676299341775
Energy: 0.5345209461279189
Energy: 0.5464555136405527
Energy: 0.4997647722530087
Energy: 0.5253151938161752
Energy: 0.5171649442575099
Energy: 0.5702418049188979
Energy: 0.5402837333819779
Energy: 0.5397855118361433
Energy: 0.5526508458429938
Energy: 0.5264291551797058
Energy: 0.5277367841190295
Energy: 0.5410540097033534
Energy: 0.517383141468283
Energy: 0.5318414755264279
Energy: 0.5262634072419243
Energy: 0.533636690969184

minimum gb energy = 0.49784102889818377 eV
minimum distance =  2.69709275747163 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 0.9272872572752112
Energy: 0.5284253413906195
Energy: 0.5526536715397463
Energy: 0.5262529141875766
Energy: 0.5515519928993281
Energy: 0.5339283339229711
Energy: 0.5266930003049627
Energy: 0.5404685244085461
Energy: 0.5398228702709892
Energy: 0.5380978417985863
Energy: 0.5409062078767951
Energy: 0.5388591987255453
Energy: 0.5352510761622085
Energy: 0.5380497351839515
Energy: 0.5252722580469028
Energy: 0.5622092856035313
Energy: 0.5266760646044669
Energy: 0.5417246960628552
Energy: 0.5420397151869485
Energy: 0.5379037493088692
Energy: 0.5531656439409064
Energy: 0.5302493133467433
Energy: 0.5715782617176183
Energy: 0.5307670018058832
Energy: 0.5306090029398242
Energy: 0.5313704432315266
Energy: 0.5325129679543364
Energy: 0.5712302837788338
Energy: 0.5413393399639552
Energy: 0.5396376778499109
Energy: 0.5443454056961985
Energy: 0.5354149748035327
Energy: 0.5386186915421888
Energy: 0.536099354944304
Energy: 0.594307205129002
Energy: 0.5999994509996825
Energy: 0.542065758726177
Energy: 0.531027003033512
Energy: 0.5328942291105963
Energy: 0.5398491219006505
Energy: 0.5612144816569542
Energy: 0.5532561925074474
Energy: 0.5403898339476852
Energy: 0.5372208704438288
Energy: 0.5304134551454206
Energy: 0.5371669659788931
Energy: 0.5492702848873042
Energy: 0.542395029903528
Energy: 0.5370409196620475
Energy: 0.5405605728694608
Energy: 0.5290477985864449
Energy: 0.5311919976735309
Energy: 0.5398502210600139
Energy: 0.5425780109440711
Energy: 0.539635619424801
Energy: 0.5535785113141393
Energy: 0.5451411462712723
Energy: 0.5416094805603293
Energy: 0.5441254653320724
Energy: 0.5424904196713417
Energy: 0.5388024486148285
Energy: 0.5536722216169833
Energy: 0.5401182020278948
Energy: 0.5424491692155006
Energy: 0.5445132592010234
Energy: 0.5469160529037826
Energy: 0.5309476179602607
Energy: 0.5400516432513491
Energy: 0.543305505353953
Energy: 0.5433433851323647
Energy: 0.5390647915071143
Energy: 0.5478361220364395
Energy: 0.5775604523572421
Energy: 0.5735352958383116
Energy: 0.541422618117487
Energy: 0.5955658841569017
Energy: 0.5450256751266056
Energy: 0.5412901343796397
Energy: 0.5721715897461641
Energy: 0.5423740986044597
Energy: 0.5462559073532842
Energy: 0.579159962968321
Energy: 0.5561160227083944
Energy: 0.5402045498729809
Energy: 0.5419611337710493
Energy: 0.5310806492911936
Energy: 0.5718464870800921
Energy: 0.5538479816425623
Energy: 0.5442874668558491
Energy: 0.5412998946341685
Energy: 0.5352617751667837
Energy: 0.55998843939163
Energy: 0.5290612807086872
Energy: 0.5394792157015081
Energy: 0.5420191843330986
Energy: 0.5423749856701476
Energy: 0.5420774982671216
Energy: 0.5402889392036035
Energy: 0.5391644788740372
Energy: 0.5421560523787752
Energy: 0.5476162367672718
Energy: 0.532638709522895
Energy: 0.5314374257884906
Energy: 0.5450071077938896
Energy: 0.5401104772830125
Energy: 0.5433880667002058
Energy: 0.5360782845576064
Energy: 0.5318961543416318
Energy: 0.549183759333716
Energy: 0.540627664735544
Energy: 0.5504496445759518
Energy: 0.570119357205552
Energy: 0.5464595641566217
Energy: 0.5377936846667724
Energy: 0.5610678593828453
Energy: 0.5687966274130798
Energy: 0.5593169760536983
Energy: 0.5565694621476358
Energy: 0.538163518328593
Energy: 0.5410868071525297
Energy: 0.5322547960642502
Energy: 0.5290283376481514
Energy: 0.5431637615201087
Energy: 0.5674404818105655
Energy: 0.5528412060598207
Energy: 0.5709616844120908
Energy: 0.5446783793940188
Energy: 0.542196221920235
Energy: 0.5681910700998426
Energy: 0.5512676877932464
Energy: 0.5391890635339448
Energy: 0.543536324795555
Energy: 0.5472201266063103
Energy: 0.5404520446029916
Energy: 0.5373672559213675
Energy: 0.5478396919071942
Energy: 0.5449914392035664
Energy: 0.541894781381039
Energy: 0.538722908277009
Energy: 0.5375583146314942
Energy: 0.5365751214730394
Energy: 0.5898813407525332
Energy: 0.5345841159310968
Energy: 0.536175237233597
Energy: 0.5337264029252564
Energy: 0.5611850901245243
Energy: 0.5614826148503581
Energy: 0.5346291358520988
Energy: 0.5366731014732458
Energy: 0.5401223319810322
Energy: 0.5316882789375733
Energy: 0.556625393934921
Energy: 0.5356858864363514
Energy: 0.5317320543523854
Energy: 0.5926495049001602
Energy: 0.531467239093624
Energy: 0.5488070072253489
Energy: 0.5326300281353865
Energy: 0.5468101942400109
Energy: 0.5842360222594243
Energy: 0.5356269694215917
Energy: 0.5483635889944326
Energy: 0.5421381021260129
Energy: 0.5423382947369257
Energy: 0.5422324806444272
Energy: 0.5271054101143465
Energy: 0.5363823177646455
Energy: 0.5384190104425514
Energy: 0.5358147178614263
Energy: 0.5391834181063389
Energy: 0.5405570442088237
Energy: 0.5944149148614601
Energy: 0.6015590433065413
Energy: 0.5271044402419716
Energy: 0.537936114561873
Energy: 0.5457464235174418
Energy: 0.5378368848276905
Energy: 0.5696409007522086
Energy: 0.5268663406160851
Energy: 0.5394728669310561
Energy: 0.5415133663180273
Energy: 0.5666664776930541
Energy: 0.5391653646528131
Energy: 0.5363644049120778
Energy: 0.5362107171369674
Energy: 0.5341106531863689
Energy: 0.5733326789892226
Energy: 0.5365666546101744
Energy: 0.5276596278391472
Energy: 0.5399688226996755
Energy: 0.544013059460812
Energy: 0.5469523369282099
Energy: 0.5526373759357431
Energy: 0.5310585844682305
Energy: 0.5452328990669864
Energy: 0.5460645483929154
Energy: 0.5413438424768974
Energy: 0.5528440300050855
Energy: 0.5310660033041141
Energy: 0.5499454283404513
Energy: 0.536759086880728
Energy: 0.5313920474455825
Energy: 0.5872974262035489
Energy: 0.5414074376421859
Energy: 0.5399313329189493
Energy: 0.5354236088370018
Energy: 0.5339539547498058
Energy: 0.5603607576416837
Energy: 0.5518691222115519
Energy: 0.5355390490805628
Energy: 0.5378983737738806
Energy: 0.5508740953823427
Energy: 0.5623717715702437
Energy: 0.5645959869224498
Energy: 0.5400671659387083
Energy: 0.5397034947882536
Energy: 0.583079350529894
Energy: 0.5490404728893393
Energy: 0.5542033529364392
Energy: 0.5394368697091877
Energy: 0.5455045847593911
Energy: 0.5468902172393341
Energy: 0.5942983131508525
Energy: 0.5508882822133675
Energy: 0.5426394916896234
Energy: 0.5441810970973846
Energy: 0.5443517028466199
Energy: 0.5616107220634915
Energy: 0.5545906386312869
Energy: 0.5456074773934062
Energy: 0.5458359995754827
Energy: 0.5497189665778185
Energy: 0.5582529353679698
Energy: 0.5653193959904632
Energy: 0.5572620259409031
Energy: 0.5450317706039746
Energy: 0.5533819024342879
Energy: 0.5485122753327591
Energy: 0.5547620699808056
Energy: 0.5608432040572698
Energy: 0.577175808789685
Energy: 0.5471486765024098
Energy: 0.5290861059449169
Energy: 0.5734755936117764
Energy: 0.5524487719845934
Energy: 0.5754142118539025
Energy: 0.5465711753946835
Energy: 0.5454066647987541
Energy: 0.5754768911270576
Energy: 0.5529016632708812
Energy: 0.5416410457199053
Energy: 0.5362269160853443
Energy: 0.5309990003338141
Energy: 0.560454553661322
Energy: 0.5436823788665673
Energy: 0.5448576692861629
Energy: 0.5372490929090017
Energy: 0.5323618720306933
Energy: 0.5690281380002505
Energy: 0.5405602724542311
Energy: 0.5398821525794659
Energy: 0.54612423240876
Energy: 0.5506967473364777
Energy: 0.5415843585984307
Energy: 0.546614132781815
Energy: 0.5401998433905131
Energy: 0.5472260574269732
Energy: 0.5671844257241633
Energy: 0.5405983409754287
Energy: 0.5426895130049046
Energy: 0.5486047632168913
Energy: 0.5475604893252798
Energy: 0.546512907817701
Energy: 0.5357429976377939
Energy: 0.5693526594923869
Energy: 0.5408777846344529
Energy: 0.5564861681173588
Energy: 0.5443154829739584
Energy: 0.5334346384987542
Energy: 0.5481800148765086
Energy: 0.5424582704930441
Energy: 0.5426654576019565
Energy: 0.5555428563952977
Energy: 0.5465109728358646
Energy: 0.5541632358878756
Energy: 0.5599063147566122
Energy: 0.5421632060468925
Energy: 0.578264475382025
Energy: 0.557825954867463
Energy: 0.5539667873059045
Energy: 0.5512706701716538
Energy: 0.563861613825823
Energy: 0.5438731830980431
Energy: 0.5353651737378451
Energy: 0.5622031493414991
Energy: 0.5506789361113249
Energy: 0.5630403695542252
Energy: 0.5417840502371606
Energy: 0.5356972643580006
Energy: 0.5631736325706803
Energy: 0.5379428360540172
Energy: 0.5371666190937769
Energy: 0.5355539058007768
Energy: 0.5461750710581909
Energy: 0.5612728570402762
Energy: 0.5395388345737283
Energy: 0.5379028756201077
Energy: 0.5308006132199465
Energy: 0.561074949749045
Energy: 0.5686714310437485
Energy: 0.5380329902500217
Energy: 0.5327334555227337
Energy: 0.5477841158734514
Energy: 0.5952965925480854
Energy: 0.5395044255763369
Energy: 0.5346099884941872
Energy: 0.5391969935155757
Energy: 0.5613412128214509
Energy: 0.595694595185734
Energy: 0.5588160285243193
Energy: 0.585516467432991
Energy: 0.5693563779515138
Energy: 0.5879686105487186
Energy: 0.540706666445888
Energy: 0.5595107520595699
Energy: 0.5872553362892249
Energy: 0.5320802680648784
Energy: 0.587645139690766
Energy: 0.5492590929854667
Energy: 0.5317026601291922
Energy: 0.5419653526157153
Energy: 0.5425031889836155
Energy: 0.5308970883092438
Energy: 0.5569716507486033
Energy: 0.546952516988481
Energy: 0.5397007687550873
Energy: 0.5397532139527469
Energy: 0.537010294651484
Energy: 0.5463317108179001
Energy: 0.5363120288649764
Energy: 0.526443952986739
Energy: 0.5395146015225931
Energy: 0.5285406374748812
Energy: 0.5438766439830508
Energy: 0.5301362669524623
Energy: 0.526732836792462
Energy: 0.5395070737621768
Energy: 0.5287571151235935
Energy: 0.5525428341642327
Energy: 0.5326345456215138
Energy: 0.5267880103958866
Energy: 0.5362706995527172
Energy: 0.5290168710455937
Energy: 0.5541813292759078
Energy: 0.5350269785654483
Energy: 0.5270177857706408
Energy: 0.5397384640462487
Energy: 0.5378655333459725
Energy: 0.5758109870080544
Energy: 0.5435914506146946
Energy: 0.5334322433339883
Energy: 0.5418624100181229
Energy: 0.5425808957694256
Energy: 0.5353085559939224
Energy: 0.5340396408346975
Energy: 0.5530670530775862
Energy: 0.5398432711762223
Energy: 0.5463820350220988
Energy: 0.5399565659599911
Energy: 0.534074218409497
Energy: 0.5333683710956894
Energy: 0.5399236678019789
Energy: 0.5351994743040067
Energy: 0.5458896880239069
Energy: 0.5603051986177099
Energy: 0.5303523491132367
Energy: 0.5353855299649581
Energy: 0.5352585138311408
Energy: 0.5843520165447896
Energy: 0.5554996009341965
Energy: 0.5393269546121982
Energy: 0.5394227254582029
Energy: 0.5389734065144249
Energy: 0.5421157604381631
Energy: 0.5376495960735006
Energy: 0.5353546754739735
Energy: 0.5407796037838511
Energy: 0.5455693370724662
Energy: 0.5566004947959166
Energy: 0.5448429512225812
Energy: 0.5291262118140455
Energy: 0.5449463341166997
Energy: 0.5394439363541378
Energy: 0.5454696948486435
Energy: 0.5312751684883068
Energy: 0.5289922671648567
Energy: 0.5452582852042157
Energy: 0.5410204775894425
Energy: 0.54614059400994
Energy: 0.5317143705251639
Energy: 0.5568929966822544
Energy: 0.554595840014665
Energy: 0.5448461395365691
Energy: 0.5355194692605096
Energy: 0.5478418848647276
Energy: 0.56521892864147
Energy: 0.5568158512070477
Energy: 0.5460381334602574
Energy: 0.5402640005872882
Energy: 0.5332982349680038
Energy: 0.5607816640644596
Energy: 0.5566026182911157
Energy: 0.5626070821767682
Energy: 0.5389082180962729
Energy: 0.5479056799597396
Energy: 0.5477338553918197
Energy: 0.5694522255896916
Energy: 0.5579412235297345
Energy: 0.5390585545344204
Energy: 0.5412075557453012
Energy: 0.5645985509372903
Energy: 0.5403533087014936
Energy: 0.5413232717553655
Energy: 0.5398088764956755
Energy: 0.5479054637444724
Energy: 0.5437222965225936
Energy: 0.5404784216331368
Energy: 0.54161534265409
Energy: 0.5425626996647083
Energy: 0.5763034400253022
Energy: 0.5324396273841746
Energy: 0.5423244857175696
Energy: 0.5391345496055054
Energy: 0.5335312354101831
Energy: 0.5652390468092862
Energy: 0.5355934586150743
Energy: 0.5419469804946229
Energy: 0.539374983652039
Energy: 0.5382314503208404
Energy: 0.5664382076698559
Energy: 0.5307698561795029
Energy: 0.5542901785287099
Energy: 0.5417802998704403
Energy: 0.5445849641074032
Energy: 0.5537330978813564
Energy: 0.5333491654577507
Energy: 0.5776886783500662
Energy: 0.5437720509602116
Energy: 0.5494709958091776
Energy: 0.5536833670887685
Energy: 0.5381016408481192
Energy: 0.5382774769877214
Energy: 0.5742640813364452
Energy: 0.5408126226968026
Energy: 0.5427519468134694
Energy: 0.5278600946518311
Energy: 0.538587132611035
Energy: 0.5475374640736171
Energy: 0.5500851118258374
Energy: 0.5417475637213188
Energy: 0.5387298094608626
Energy: 0.5521882469184402
Energy: 0.5750109571023402
Energy: 0.5367286176883871
Energy: 0.5434358534505396
Energy: 0.5263409623728881
Energy: 0.5381781937276345
Energy: 0.5600064313665983
Energy: 0.5600581155262837
Energy: 0.5698907749721493
Energy: 0.569136632042132
Energy: 0.5672372785536213
Energy: 0.5378343567145869
Energy: 0.5369900476392995
Energy: 0.5655579917402195
Energy: 0.537042553543364
Energy: 0.5695257923041894
Energy: 0.5385628212437281
Energy: 0.537600332333063
Energy: 0.5451195252742133
Energy: 0.5780707822769504
Energy: 0.5626052175360372
Energy: 0.5391131148168402
Energy: 0.5278412712052569
Energy: 0.5836477465457384
Energy: 0.5412683110554022
Energy: 0.5325692859463353
Energy: 0.5399605221961522
Energy: 0.5378326369978857
Energy: 0.5835402192568603
Energy: 0.560783929970274
Energy: 0.5304446118759882
Energy: 0.556378584938567
Energy: 0.5315835087467737
Energy: 0.5884385189234133
Energy: 0.5364414051985068
Energy: 0.5324661457711507
Energy: 0.5483754228827058
Energy: 0.5320205353569071
Energy: 0.5928426403392847
Energy: 0.5498042845419635
Energy: 0.5459268248098325
Energy: 0.54478353445123
Energy: 0.5774593756117441
Energy: 0.5285673926663864
Energy: 0.5295273574449381
Energy: 0.5324340890192759
Energy: 0.5386086144418696
Energy: 0.547937447372771
Energy: 0.5275872540177879
Energy: 0.5443989077703285
Energy: 0.5257057285494048
Energy: 0.5597907762808152
Energy: 0.5336084431508498
Energy: 0.5343431549937601
Energy: 0.5412642867891979
Energy: 0.5253429695648425
Energy: 0.5523623910570695
Energy: 0.5303059099384891
Energy: 0.5566218689518327

minimum gb energy = 0.5252722580469028 eV
minimum distance =  2.66890437089269 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7033553879476152
Energy: 0.5260218437532836
Energy: 0.5332291439456172
Energy: 0.5376411438321295
Energy: 0.5036835040174128
Energy: 0.6687589193787253
Energy: 0.5357039268183744
Energy: 0.5470721343360506
Energy: 0.5397755894892999
Energy: 0.5257501098947936
Energy: 0.5463894417916867
Energy: 0.5579540191660651
Energy: 0.5341240475274651
Energy: 0.5284484258801493
Energy: 0.5168250175262267
Energy: 0.5288912622211415
Energy: 0.5166145101687217
Energy: 0.5432117719860684
Energy: 0.5367299252814263
Energy: 0.5684466107296069
Energy: 0.5341141845484606
Energy: 0.5238264358578426
Energy: 0.54766350520307
Energy: 0.5397895229222901
Energy: 0.5162100905473351
Energy: 0.5119060495485155
Energy: 0.5284582213182476
Energy: 0.5397254215295165
Energy: 0.5390612099372646
Energy: 0.5469736589618338
Energy: 0.5177533992140166
Energy: 0.5470257821096465
Energy: 0.5382493996631869
Energy: 0.5399643297367841
Energy: 0.5334601338444256
Energy: 0.5145618171829984
Energy: 0.5377922827092143
Energy: 0.5198701903559748
Energy: 0.5197483621435844
Energy: 0.5369386565856997
Energy: 0.5672720383455152
Energy: 0.5301308580533756
Energy: 0.5385510722309433
Energy: 0.5381916021901149
Energy: 0.5132637051664252
Energy: 0.5294068655327426
Energy: 0.5234386620628143
Energy: 0.5341006681672424
Energy: 0.5366720796862428
Energy: 0.5374024513139005
Energy: 0.5519578094326214
Energy: 0.5590450858324381
Energy: 0.5607715663443816
Energy: 0.5249025523908275
Energy: 0.512686278167773
Energy: 0.5511244087845529
Energy: 0.516632854769107
Energy: 0.5204565479878397
Energy: 0.5251137879243003
Energy: 0.5501629507038897
Energy: 0.5387905834994304
Energy: 0.5495081252728864
Energy: 0.5475096565985316
Energy: 0.5577999071042375
Energy: 0.5549789456220383
Energy: 0.5394160724657191
Energy: 0.536192574781653
Energy: 0.5497589002995606
Energy: 0.5591969425307002
Energy: 0.521774052827606
Energy: 0.5030790984023445
Energy: 0.5310968944627801
Energy: 0.5628463024407531
Energy: 0.549230356643503
Energy: 0.514811221019911
Energy: 0.5046145169039031
Energy: 0.5271117258629074
Energy: 0.5650492768262032
Energy: 0.5474763567239124
Energy: 0.5038350627756839
Energy: 0.5053175053255491
Energy: 0.5524688007019892
Energy: 0.5524503860259374
Energy: 0.5453772142943749
Energy: 0.5133720580226288
Energy: 0.5043022978416215
Energy: 0.5157943713140088
Energy: 0.5548461410705356
Energy: 0.5399320821437087
Energy: 0.503128466092011
Energy: 0.533107836665318
Energy: 0.5220811336081077
Energy: 0.5423331080846626
Energy: 0.5440511754452472
Energy: 0.5335034268283866
Energy: 0.532455844795567
Energy: 0.5434774242601023
Energy: 0.5388643057641137
Energy: 0.5392206126734023
Energy: 0.551265175847085
Energy: 0.540318591200892
Energy: 0.541906638083985
Energy: 0.5350217720296846
Energy: 0.5621578149499792
Energy: 0.5375903781515949
Energy: 0.5381699366908185
Energy: 0.5569991331794343
Energy: 0.539684614873301
Energy: 0.5696936154408134
Energy: 0.5357644069636175
Energy: 0.5638907275038693
Energy: 0.554114187350993
Energy: 0.5360940099275814
Energy: 0.5343651671366803
Energy: 0.5516344137172913
Energy: 0.5402453077388258
Energy: 0.5204260319798454
Energy: 0.5409668160862114
Energy: 0.5384909246823292
Energy: 0.5174475049056754
Energy: 0.5511689279341881
Energy: 0.5186581792753602
Energy: 0.5108763577499122
Energy: 0.5389731955657278
Energy: 0.5430612191046308
Energy: 0.5301664656227981
Energy: 0.5177026073531534
Energy: 0.5395710867271853
Energy: 0.5432913169082391
Energy: 0.5525239941408429
Energy: 0.5348321043758347
Energy: 0.5310225691417152
Energy: 0.5439417677734768
Energy: 0.5306259532135307
Energy: 0.5105664762170469
Energy: 0.5195583316333069
Energy: 0.5309422102754616
Energy: 0.5536993056953154
Energy: 0.5290971983310429
Energy: 0.5397324020004028
Energy: 0.5265678455111065
Energy: 0.538344492181012
Energy: 0.5464242090660333
Energy: 0.5525003053210918
Energy: 0.5266819492650655
Energy: 0.5275330478723962
Energy: 0.5139470372739078
Energy: 0.539720519717843
Energy: 0.5492212186635497
Energy: 0.5586818131902315

minimum gb energy = 0.5030790984023445 eV
minimum distance =  2.71613798523376 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8975580107642774
Energy: 0.4810468422164439
Energy: 0.4850197967642908
Energy: 0.4679029026604522
Energy: 0.4576680902265976
Energy: 0.4547390429870458
Energy: 0.4573210862189762
Energy: 0.48847784557057655
Energy: 0.477997827184332
Energy: 0.49226612060594277
Energy: 0.4901067877077647
Energy: 0.48987583040196975
Energy: 0.47039132506587444
Energy: 0.47674100210367276
Energy: 0.45594805319190074
Energy: 0.4558150378494739
Energy: 0.46541510771334166
Energy: 0.48289441314180054
Energy: 0.48810417489606756
Energy: 0.49283092649168814
Energy: 0.4758365059189349
Energy: 0.4601048961662899
Energy: 0.4941773536917388
Energy: 0.48128244104730417
Energy: 0.4973189382178032
Energy: 0.451253752072205
Energy: 0.4939745145769248
Energy: 0.49408341603543815
Energy: 0.5046520318877407
Energy: 0.4960509897441079
Energy: 0.4734678720895421
Energy: 0.48804864925725583
Energy: 0.4831522475459701
Energy: 0.45251612664981045
Energy: 0.5536157220748181
Energy: 0.4644134764845637
Energy: 0.4837371112252475
Energy: 0.471219612715642
Energy: 0.4630957622018446
Energy: 0.5533757106451863
Energy: 0.5063878143722232
Energy: 0.4763127024564382
Energy: 0.47903259018797895
Energy: 0.4857926359012512
Energy: 0.4535774049788148
Energy: 0.46003489984362583
Energy: 0.4760186539211878
Energy: 0.47515741360989616
Energy: 0.4752924101983549
Energy: 0.5008163014010886
Energy: 0.5028912063140112
Energy: 0.5072027809471664
Energy: 0.5041917018965301
Energy: 0.47573436958067844
Energy: 0.4668503323590189
Energy: 0.49190203710550917
Energy: 0.480805108911497
Energy: 0.49721035908346467
Energy: 0.4659149596517927
Energy: 0.480008336141909
Energy: 0.4886158488897645
Energy: 0.48059642939074076
Energy: 0.4797598637068285
Energy: 0.4669133997412643
Energy: 0.48857671503420774
Energy: 0.4882426437244459
Energy: 0.4803262873658456
Energy: 0.47978781793152137
Energy: 0.4720467448728888
Energy: 0.48821684798912635
Energy: 0.5288047472153835
Energy: 0.4789419709608637
Energy: 0.4791688458205696
Energy: 0.4793236968941198
Energy: 0.4858578514814151
Energy: 0.6121947767153985
Energy: 0.47898581008070856
Energy: 0.4799044147863488
Energy: 0.5047703460042999
Energy: 0.4764948493739162
Energy: 0.5280475575305504
Energy: 0.4787310862199191
Energy: 0.5336797865837645
Energy: 0.47058902620406456
Energy: 0.4791688294438272
Energy: 0.4790976604865509
Energy: 0.4919944022433227
Energy: 0.5848134607570036
Energy: 0.4996442804211158
Energy: 0.4792467200978578
Energy: 0.473738148363824
Energy: 0.48232539414359077
Energy: 0.4783718892093191
Energy: 0.4778273364840564
Energy: 0.4838621542908223
Energy: 0.46821956789024705
Energy: 0.4819763491213345
Energy: 0.4799118353933025
Energy: 0.47216107127750834
Energy: 0.5093128409584989
Energy: 0.4829275874050632
Energy: 0.4665029223722236
Energy: 0.48356197536347884
Energy: 0.4949094315872049
Energy: 0.6112205704171351
Energy: 0.48277649496127156
Energy: 0.4748395528023179
Energy: 0.485261572534427
Energy: 0.4866374387295813
Energy: 0.6098523471982386
Energy: 0.4891497357579062
Energy: 0.49958651685657696
Energy: 0.47366260273052785
Energy: 0.46499974956594753
Energy: 0.5099468345204141
Energy: 0.4821159970634785
Energy: 0.47077908423953496
Energy: 0.49155118823745064
Energy: 0.4722609324425305
Energy: 0.5097780512295456
Energy: 0.4718228883881535
Energy: 0.5267370869232899
Energy: 0.45798315416312074
Energy: 0.45641552242769723
Energy: 0.46873316223126205
Energy: 0.4676771896100972
Energy: 0.5235235612336375
Energy: 0.4823100500676547
Energy: 0.4615918043938096
Energy: 0.4806024717595593
Energy: 0.4857080400100864
Energy: 0.47416681452129616
Energy: 0.46536327966985275
Energy: 0.45608891727689627
Energy: 0.45596236298927506
Energy: 0.46039094539269454
Energy: 0.4820306790742072
Energy: 0.46424240519018944
Energy: 0.46039040440407636
Energy: 0.4746057261348921
Energy: 0.4579767924135004
Energy: 0.4800177044156363
Energy: 0.46665701486171973
Energy: 0.48808285403926555
Energy: 0.467339024393387
Energy: 0.46769235632906586
Energy: 0.4845527096034306
Energy: 0.4765593490200274
Energy: 0.46923850916254056
Energy: 0.48206770972687757
Energy: 0.5160849811776039
Energy: 0.4921154310472491
Energy: 0.4956859575705616
Energy: 0.4646091042344484
Energy: 0.49341419025461436
Energy: 0.4996222705770531
Energy: 0.4918093202361773
Energy: 0.495954730825184
Energy: 0.46434723665353583
Energy: 0.4934695797496518
Energy: 0.4828756486067919
Energy: 0.47267488086728404
Energy: 0.46640839831641845
Energy: 0.49524504132981234
Energy: 0.4792833684518078
Energy: 0.47865252659737567
Energy: 0.4709331481488909
Energy: 0.46645307405207714
Energy: 0.4791601684668188
Energy: 0.48011874857791154
Energy: 0.4776670764299719
Energy: 0.47782595119513366
Energy: 0.46738118669158507
Energy: 0.4880835648444488
Energy: 0.48011047016284414
Energy: 0.47625523898612293
Energy: 0.4765418611182383
Energy: 0.5223240709848112
Energy: 0.501595236401509
Energy: 0.5088310139501683
Energy: 0.4892243275980158
Energy: 0.47055297156366294
Energy: 0.4666183332381214
Energy: 0.4835942267073469
Energy: 0.5068290881786071
Energy: 0.4986103670528001
Energy: 0.47612757310279463
Energy: 0.46711670223279544
Energy: 0.49162724091019644
Energy: 0.5066047730993536
Energy: 0.4817614837309651
Energy: 0.4795530057694126
Energy: 0.4851085453232101
Energy: 0.4815171081945097
Energy: 0.4809189071240541
Energy: 0.48326238919183534
Energy: 0.4799609463382133
Energy: 0.49654550465446773
Energy: 0.48581606260862753
Energy: 0.4804242099974067
Energy: 0.47971958265345477
Energy: 0.48928982126541365
Energy: 0.4759920892271957
Energy: 0.46791988767354026
Energy: 0.4646863322019365
Energy: 0.4821966067386491
Energy: 0.4886482143098502
Energy: 0.4886229997837403
Energy: 0.4837140855595308
Energy: 0.47904858310062615
Energy: 0.509983232228614
Energy: 0.5839063522278832
Energy: 0.49871116877489396
Energy: 0.46675580736345673
Energy: 0.4909492850480101
Energy: 0.5004897742849077
Energy: 0.5849160627467154
Energy: 0.4985197793667887
Energy: 0.5281009460241716
Energy: 0.4914909226095716
Energy: 0.4808424400355236
Energy: 0.48609984208098944
Energy: 0.5034700369617947
Energy: 0.4694259623369673
Energy: 0.478460477858916
Energy: 0.4795959925073787
Energy: 0.4813492545850745
Energy: 0.48848407412251277
Energy: 0.46582620713061995
Energy: 0.4796798581593329
Energy: 0.48433110328471807
Energy: 0.49966276636104134
Energy: 0.48709724154353407
Energy: 0.48675207726420744
Energy: 0.4698964601606018
Energy: 0.48479560097425334
Energy: 0.49718919875145356
Energy: 0.487070296479676
Energy: 0.48708795096433516
Energy: 0.48042245583162035
Energy: 0.4574380249496365
Energy: 0.48101875699222024
Energy: 0.46885332359081133
Energy: 0.47840610462695105
Energy: 0.4980110265733481
Energy: 0.45694903270967135
Energy: 0.4795248585072468
Energy: 0.47295231484566946
Energy: 0.48289219602780825
Energy: 0.4960257143066631
Energy: 0.48270632133902536
Energy: 0.4774940677427951
Energy: 0.4607591479472289
Energy: 0.4722956071750157
Energy: 0.5266721323060737
Energy: 0.4690917907215887
Energy: 0.46340786858395283
Energy: 0.4562100492545147
Energy: 0.4616361769077031
Energy: 0.5217314439651168
Energy: 0.47046404108188883
Energy: 0.45985521792682904
Energy: 0.4812638809350799
Energy: 0.4552324697431011
Energy: 0.47632496893433474
Energy: 0.45905461034967254
Energy: 0.45539089517334014
Energy: 0.4680891182597826
Energy: 0.46116818477175164
Energy: 0.48106523009406316
Energy: 0.48294815003041663
Energy: 0.4826405189779695
Energy: 0.5082268860644295
Energy: 0.48025459259335845
Energy: 0.48052857469420335
Energy: 0.46596657467045294
Energy: 0.4694159282888426
Energy: 0.4871803487433661
Energy: 0.4618563850162274
Energy: 0.48287616017380075
Energy: 0.47088744156086504
Energy: 0.5086480128657953
Energy: 0.4928768016294091
Energy: 0.4765600458313622
Energy: 0.4921376720039959
Energy: 0.46770463633293463
Energy: 0.4662113120129978
Energy: 0.49885125832106114
Energy: 0.4926584469468066
Energy: 0.4952989571883997
Energy: 0.46837133226701927
Energy: 0.46431201646690634
Energy: 0.4927247412602146
Energy: 0.48224624669935773
Energy: 0.4721678078361457
Energy: 0.4645992209896853
Energy: 0.4975426989050308
Energy: 0.48408151577828845
Energy: 0.47920254638647686
Energy: 0.4654336736506007
Energy: 0.477384172055229
Energy: 0.48900008982739823
Energy: 0.49775075921695006
Energy: 0.4774177140544822
Energy: 0.4853286543678167
Energy: 0.4848898050558841
Energy: 0.47701642433514785
Energy: 0.4791178150705854
Energy: 0.47644177244685487
Energy: 0.4767862639326389
Energy: 0.5536317405642371
Energy: 0.49931575322400445
Energy: 0.47805249975825714
Energy: 0.48978958794033084
Energy: 0.5005350457983694
Energy: 0.4668088454630794
Energy: 0.49829993794759375
Energy: 0.46640843174876373
Energy: 0.4862037165529937
Energy: 0.4874341485187172
Energy: 0.5168803580992677
Energy: 0.4869044960663201
Energy: 0.48175042943681307
Energy: 0.4800919729809092
Energy: 0.479604569858313
Energy: 0.4939456477777801
Energy: 0.4893033147334834
Energy: 0.48192202555268854
Energy: 0.4822918824931186
Energy: 0.47951645638295187
Energy: 0.5060568900039418
Energy: 0.47335816207474163
Energy: 0.4649359096040476
Energy: 0.46885542981719536
Energy: 0.48318156998957396
Energy: 0.5046467546779143
Energy: 0.4713776963767737
Energy: 0.4666308376184858
Energy: 0.47901578334840716
Energy: 0.4824797333285611
Energy: 0.510784120252694
Energy: 0.4808353317216502
Energy: 0.487668810658438
Energy: 0.4777796671581059
Energy: 0.47006664472655924
Energy: 0.5017623508923454
Energy: 0.48110693958355566
Energy: 0.489426983787148
Energy: 0.4908906374376737
Energy: 0.521242583745029
Energy: 0.49632757428026925
Energy: 0.48219622737457785
Energy: 0.47733414132093244
Energy: 0.4763132812424951
Energy: 0.4832019924238408
Energy: 0.47227112975709534
Energy: 0.46789588479300626
Energy: 0.4814906876558599
Energy: 0.48012571023938627
Energy: 0.4774985179516187
Energy: 0.5014887050954725
Energy: 0.5269118275302483
Energy: 0.46780441961586317
Energy: 0.45846219046352044
Energy: 0.5022504872794378
Energy: 0.5015090640309977
Energy: 0.4680845891100119
Energy: 0.49879963786304427
Energy: 0.48649991741881937
Energy: 0.5051602222656457
Energy: 0.48108058573930024
Energy: 0.5158414891151688
Energy: 0.489795294030098
Energy: 0.460111174151504
Energy: 0.4573410786996467
Energy: 0.4559168332134335
Energy: 0.45599815543471905
Energy: 0.4777765355828538
Energy: 0.4614128286956069
Energy: 0.49265539751455456
Energy: 0.49574916037335043
Energy: 0.4829134283359313
Energy: 0.5325431422599983
Energy: 0.5048555210631952
Energy: 0.4531604673220696
Energy: 0.5611279009664101
Energy: 0.4514690032012546
Energy: 0.520186489390293
Energy: 0.47148748572577903
Energy: 0.4866469937402909

minimum gb energy = 0.451253752072205 eV
minimum distance =  2.74459363250802 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.2499423436367017
Energy: 0.2512452585773622
Energy: 0.35685300479158455
Energy: 0.31980424219558057
Energy: 0.1783255804454803
Energy: 0.17806100387954574
Energy: 0.3173658356745063
Energy: 0.31803173709342897
Energy: 0.3157070584639105
Energy: 0.25097109168870657
Energy: 0.25097109168870657
Energy: 0.3277185392721528
Energy: 0.32728264127065626
Energy: 0.31765316529266513
Energy: 0.3191004628933525
Energy: 0.3191004628933525
Energy: 0.32843886752225704
Energy: 0.3311154505775638
Energy: 0.3304501506121608
Energy: 0.32021895910082915
Energy: 0.32713745665739496
Energy: 0.32130782111924494
Energy: 0.3267353483760982
Energy: 0.30891731061159367
Energy: 0.2153338330083322
Energy: 0.3179305103091386
Energy: 0.32606634827110176
Energy: 0.33536439661632966
Energy: 0.31250373722192926
Energy: 0.1787473041285909
Energy: 0.17830017910390283
Energy: 0.31499151980508594
Energy: 0.3347954005141373
Energy: 0.3108395300708683
Energy: 0.2165031662783995
Energy: 0.21441876404163646
Energy: 0.357573117077801
Energy: 0.3256340870387359
Energy: 0.3006823862960216
Energy: 0.18018275720254895
Energy: 0.33956890489448566
Energy: 0.3607997126049116
Energy: 0.3286741367650738
Energy: 0.3216648916902094
Energy: 0.3192586781611508
Energy: 0.33317771522450884
Energy: 0.3554901893035491
Energy: 0.3330061220694375
Energy: 0.3252683824125333
Energy: 0.33781798168857763
Energy: 0.3403905436220602
Energy: 0.33766174141317884
Energy: 0.34998647688663576
Energy: 0.17807535109892217
Energy: 0.19493089714311654
Energy: 0.3147466405874324
Energy: 0.3324616826253709
Energy: 0.3530477021499632
Energy: 0.19601496728185544
Energy: 0.21062662546575556
Energy: 0.36146928362966313
Energy: 0.33505731082857093
Energy: 0.32783956754056176
Energy: 0.17840014779701094
Energy: 0.17815520252636172
Energy: 0.3609694642565403
Energy: 0.33442639267068597
Energy: 0.32321486591242415
Energy: 0.19623115587234663
Energy: 0.3344791206540428
Energy: 0.36064652924321666
Energy: 0.3200435202990529
Energy: 0.32529842964655353
Energy: 0.34715459477642147
Energy: 0.3486134990707182
Energy: 0.36119675239993565
Energy: 0.3208826367626934
Energy: 0.32527763342298255
Energy: 0.35096878660889713
Energy: 0.35565146411650556
Energy: 0.3607261663407558
Energy: 0.3201565507208313
Energy: 0.17811675321979317
Energy: 0.1780955683158808
Energy: 0.33473095249174245
Energy: 0.362446904202668
Energy: 0.31889971629001196
Energy: 0.1780138428646826
Energy: 0.1782532735576541
Energy: 0.33264997414315095
Energy: 0.334127033310324
Energy: 0.3281343110755769
Energy: 0.18382550154151048
Energy: 0.33558276929214426
Energy: 0.3334728262538399
Energy: 0.3361913530705873
Energy: 0.33531069710760547
Energy: 0.1836143015018439
Energy: 0.3295675634684347
Energy: 0.33229119095972753
Energy: 0.31787135651678555
Energy: 0.3361049339487246
Energy: 0.19836720254719092
Energy: 0.3300650781504171
Energy: 0.3353329707030082
Energy: 0.319465746453311
Energy: 0.19530821157248948
Energy: 0.18366858958050256
Energy: 0.33459136496727143
Energy: 0.35933802469699494
Energy: 0.31898438564759773
Energy: 0.19635485134959468
Energy: 0.19600797633936215
Energy: 0.3315023811950172
Energy: 0.3330261075410195
Energy: 0.3190893246789974
Energy: 0.17809136199011902
Energy: 0.17799458365882131
Energy: 0.3318026845774102
Energy: 0.33567319303676557
Energy: 0.3212424166858716
Energy: 0.3174753303482742
Energy: 0.32351149915212096
Energy: 0.3366214105911699
Energy: 0.3329476975793237
Energy: 0.326420662819722
Energy: 0.32064966366451525
Energy: 0.3248763645559265
Energy: 0.34293974193167004
Energy: 0.33540804339305985
Energy: 0.17804786802825387
Energy: 0.17823655507427222
Energy: 0.3385736668785884
Energy: 0.3303750010021709
Energy: 0.35906472494404607
Energy: 0.19597487195504631
Energy: 0.19626216458983867
Energy: 0.3301490263318159
Energy: 0.3348129196028239
Energy: 0.3610766920317079
Energy: 0.1955105551457625
Energy: 0.17815292667409444
Energy: 0.33043302245469436
Energy: 0.3346965963090238
Energy: 0.34017278299603554
Energy: 0.21236169820807183
Energy: 0.19608843388963898
Energy: 0.3510392753737161
Energy: 0.3314889051012146
Energy: 0.33644725460386954
Energy: 0.3299548955788521
Energy: 0.3463184528667832
Energy: 0.3278769918063034
Energy: 0.3401829225685436
Energy: 0.3389095834233533
Energy: 0.3209157840323512
Energy: 0.3530746914350184
Energy: 0.3360036907546159
Energy: 0.33608468179093154
Energy: 0.32646587993569376
Energy: 0.216532598297343
Energy: 0.33281860456126444
Energy: 0.3347441302143148
Energy: 0.33203942131023223
Energy: 0.17826826260972606
Energy: 0.18139591004157996
Energy: 0.32967045885963364
Energy: 0.33240323745880884
Energy: 0.3319950665621846
Energy: 0.2140168987366609
Energy: 0.2243388344922471
Energy: 0.3287455958258702
Energy: 0.35673458803869734
Energy: 0.32845729398935464
Energy: 0.3243816338172519
Energy: 0.18009639766659402
Energy: 0.32904299240541596
Energy: 0.333148625678222
Energy: 0.32026228110454796
Energy: 0.3221563231931202
Energy: 0.33681624299001284
Energy: 0.3567757899302501
Energy: 0.33437584090487965
Energy: 0.3142754895153964
Energy: 0.1945103472311644
Energy: 0.338409420834885
Energy: 0.35454285266181496
Energy: 0.3398155392524743
Energy: 0.3188153432928283
Energy: 0.19502618306936348
Energy: 0.17814166378659888
Energy: 0.3302523107778414
Energy: 0.32131772183644397
Energy: 0.3337399899837504
Energy: 0.1958131121535762
Energy: 0.19628331279480823
Energy: 0.3332613653788379
Energy: 0.3322001708392578
Energy: 0.17826017713581682
Energy: 0.177502360101076
Energy: 0.33755667327797095
Energy: 0.3357389472111207
Energy: 0.3345166466565154
Energy: 0.33090528341148256
Energy: 0.3368305131128082
Energy: 0.33363997650322935
Energy: 0.33275290693116305
Energy: 0.3276093571628264
Energy: 0.330585027448319
Energy: 0.3360245390642708
Energy: 0.33519092656805327
Energy: 0.36102765767743866
Energy: 0.3189896595213297
Energy: 0.17869263473173347
Energy: 0.17964479950182258
Energy: 0.32861295543457164
Energy: 0.35843891946207557
Energy: 0.31517999403009417
Energy: 0.19642247414947436
Energy: 0.32557944385678855
Energy: 0.35854830315938774
Energy: 0.33528112269788085
Energy: 0.3201655956160722
Energy: 0.17809475473202746
Energy: 0.1779879145417364
Energy: 0.35754012969745924
Energy: 0.33521619559058174
Energy: 0.3195609284003092
Energy: 0.1959240374494882
Energy: 0.19599272962379896
Energy: 0.3586789395546759
Energy: 0.33621058731707265
Energy: 0.34026521109364516
Energy: 0.3348634794267757
Energy: 0.34029409527161414
Energy: 0.36072880065922913
Energy: 0.33565677459964255
Energy: 0.3253217605655524
Energy: 0.3347827523864138
Energy: 0.3386538322501246
Energy: 0.3354414412258684
Energy: 0.3610426307588162
Energy: 0.17806146573794565
Energy: 0.17840710368993393
Energy: 0.3405006510311164
Energy: 0.3375072775471991
Energy: 0.3616582027642848
Energy: 0.17811260056671652
Energy: 0.17861309772274106
Energy: 0.3180977841940943
Energy: 0.33401799571505636
Energy: 0.3433029551157359
Energy: 0.19382006925034692
Energy: 0.17840065221948978
Energy: 0.355051804844003
Energy: 0.33637032631581976
Energy: 0.34169769989979143
Energy: 0.17879111266963024
Energy: 0.17838861186934496
Energy: 0.3616102110508769
Energy: 0.319118469082371
Energy: 0.32483117163845565
Energy: 0.34381099974499224
Energy: 0.35142259636695433
Energy: 0.33466502592667435
Energy: 0.3217002466456655
Energy: 0.32167468971660745
Energy: 0.3310260591803769
Energy: 0.3580858176770893
Energy: 0.35952001823446594
Energy: 0.319123790576123
Energy: 0.19588645907415247
Energy: 0.19604932509060363
Energy: 0.3323136799179999
Energy: 0.35951621027788927
Energy: 0.3203750033353408
Energy: 0.17805032878544852
Energy: 0.17809955859679708
Energy: 0.32351233930949613
Energy: 0.3604111308812067
Energy: 0.3231826011658687
Energy: 0.3369602582128717
Energy: 0.19438816948370313
Energy: 0.3298487067031329
Energy: 0.33096227986797655
Energy: 0.3263385532688391
Energy: 0.3102381445389
Energy: 0.30986674407348586
Energy: 0.3343968829270656
Energy: 0.3291196624942531
Energy: 0.303344268689007
Energy: 0.1946507166644434
Energy: 0.3374506446802921
Energy: 0.35302789489524755
Energy: 0.332646627222983
Energy: 0.3052985593491447
Energy: 0.2138987630515103
Energy: 0.3208426894783194
Energy: 0.3585142085360189
Energy: 0.316808310603332
Energy: 0.17863906556741185
Energy: 0.180043774703116
Energy: 0.3193700158832211
Energy: 0.3338740901109193
Energy: 0.3195428854745322
Energy: 0.21457418123006364
Energy: 0.21436560258447734
Energy: 0.3319799773217216
Energy: 0.32703500986189943
Energy: 0.3251870536512898
Energy: 0.32004279207105757
Energy: 0.3432137720844239
Energy: 0.31244575050117185
Energy: 0.3348657730708506
Energy: 0.31854207542250756
Energy: 0.32020602459066044
Energy: 0.33186528512087765
Energy: 0.3308322035168638
Energy: 0.3274952032837108
Energy: 0.3219959406187209
Energy: 0.25110542579209844
Energy: 0.31955822257995203
Energy: 0.33572979854009694
Energy: 0.3405976681602993
Energy: 0.3188512173222397
Energy: 0.1781274122253352
Energy: 0.3175913185649407
Energy: 0.3268191507225651
Energy: 0.35221460949908034
Energy: 0.2510985040231329

minimum gb energy = 0.177502360101076 eV
minimum distance =  2.76306317307234 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7287638041124744
Energy: 0.4110649213163731
Energy: 0.4419947762287466
Energy: 0.4309604755257585
Energy: 0.3981951805479527
Energy: 0.3983362789738244
Energy: 0.41067603481871073
Energy: 0.43824840957815125
Energy: 0.4184537053969342
Energy: 0.40657375864099377
Energy: 0.4065295803418526
Energy: 0.4177363566773715
Energy: 0.422774748484266
Energy: 0.4209203683533828
Energy: 0.4157853140479168
Energy: 0.4037437867499015
Energy: 0.4430497757682609
Energy: 0.4308367619238295
Energy: 0.42286598513166723
Energy: 0.4179277388879874
Energy: 0.42188874603813914
Energy: 0.42583806076699676
Energy: 0.4260231328148052
Energy: 0.4435994916367544
Energy: 0.40127769435293303
Energy: 0.42240732620361776
Energy: 0.42578701907705807
Energy: 0.42653983429104325
Energy: 0.45701119368565113
Energy: 0.40136705372902143
Energy: 0.46502217522111344
Energy: 0.43685720848803666
Energy: 0.4334516334440138
Energy: 0.42031563494967034
Energy: 0.4251331269979594
Energy: 0.4523702182777988
Energy: 0.4355395706408469
Energy: 0.42838397951256596
Energy: 0.42551881673148606
Energy: 0.4022238069639252
Energy: 0.4172889026442353
Energy: 0.42030433532108125
Energy: 0.4348993365108161
Energy: 0.40807237362442156
Energy: 0.4246178552961461
Energy: 0.41843408484583283
Energy: 0.42318421547109364
Energy: 0.43514287765494297
Energy: 0.40811047590768107
Energy: 0.42893160329991753
Energy: 0.41747400207759316
Energy: 0.4168641880263369
Energy: 0.4654145795188134
Energy: 0.4355541619343038
Energy: 0.40921268317247983
Energy: 0.418467717206916
Energy: 0.418426125007471
Energy: 0.46678329355298404
Energy: 0.43629611636055887
Energy: 0.4098517042454782
Energy: 0.46855582412178703
Energy: 0.42632759195021747
Energy: 0.43688154540285673
Energy: 0.40982444512414123
Energy: 0.4326467021014505
Energy: 0.46437484755259695
Energy: 0.42682291614902346
Energy: 0.4136613961722992
Energy: 0.4425367306583097
Energy: 0.4499471685457912
Energy: 0.40794695155132205
Energy: 0.41751861332614676
Energy: 0.40455224108904625
Energy: 0.4088203833218787
Energy: 0.407835654070943
Energy: 0.4081568990365886
Energy: 0.41876672311956475
Energy: 0.4046118328355711
Energy: 0.4088342526451485
Energy: 0.40788359537239577
Energy: 0.40774837008467896
Energy: 0.4109174270035683
Energy: 0.40957517686373296
Energy: 0.4099272442294244
Energy: 0.42223949016552315
Energy: 0.40780127062279653
Energy: 0.410720198256301
Energy: 0.4097030955026821
Energy: 0.40843363781371494
Energy: 0.4086331578431924
Energy: 0.5212285235629518
Energy: 0.4138441354537806
Energy: 0.4334699681435734
Energy: 0.40482888013462626
Energy: 0.41750688694451027
Energy: 0.4142384293257279
Energy: 0.40801638917138
Energy: 0.43748653207143845
Energy: 0.40502963446074053
Energy: 0.4138624302086337
Energy: 0.4076411602704063
Energy: 0.41730764438772494
Energy: 0.4213644535033206
Energy: 0.40464302811298236
Energy: 0.40472103232858975
Energy: 0.40767770416490695
Energy: 0.4184724371366446
Energy: 0.41978213971429534
Energy: 0.40605252413984805
Energy: 0.4048341082797302
Energy: 0.42769729816896496
Energy: 0.41136185531776515
Energy: 0.4787940522073195
Energy: 0.4299576399971929
Energy: 0.4012320330268027
Energy: 0.4280080974092068
Energy: 0.41089268119757705
Energy: 0.47862031628587964
Energy: 0.4357434204060857
Energy: 0.40107350200710695
Energy: 0.4598715233802394
Energy: 0.43797332472768286
Energy: 0.4045401590055455
Energy: 0.42659572084659225
Energy: 0.41155567009657185
Energy: 0.4970009635786056
Energy: 0.4698807835721898
Energy: 0.404599337442017
Energy: 0.4300727433827434
Energy: 0.40672120972344306
Energy: 0.43903632743822185
Energy: 0.41980827226496314
Energy: 0.4047869380652571
Energy: 0.4046002492659751
Energy: 0.4618479652933058
Energy: 0.45806146956421145
Energy: 0.42152800763150045
Energy: 0.40487770914846377
Energy: 0.4048247856003653
Energy: 0.46166948941407526
Energy: 0.4328581607988655
Energy: 0.41369216340403925
Energy: 0.4726673843004579
Energy: 0.44292247635544163
Energy: 0.4077644704124954
Energy: 0.4145877692377783
Energy: 0.41696508151925205
Energy: 0.472752685296819
Energy: 0.4427398177639151
Energy: 0.4088118115491238
Energy: 0.43916562504080137
Energy: 0.4080770898062423
Energy: 0.4082987367731076
Energy: 0.4012029383900799
Energy: 0.44816003617674266
Energy: 0.4798204690909152
Energy: 0.4089364711734722
Energy: 0.4085969844602427
Energy: 0.44544035285047945
Energy: 0.42701112125825524
Energy: 0.4429517604312074
Energy: 0.4093266870089051
Energy: 0.4091570762325559
Energy: 0.42294206686038643
Energy: 0.4690506011327227
Energy: 0.42759203956178565
Energy: 0.4097445013162056
Energy: 0.4100426288733896
Energy: 0.4091478308462195
Energy: 0.46898894942346936
Energy: 0.4169545462490743
Energy: 0.4118543080074741
Energy: 0.40645282639445973
Energy: 0.40673027815480006
Energy: 0.4120988515553128
Energy: 0.417103578006586
Energy: 0.4121669937145541
Energy: 0.4070243215363045
Energy: 0.40726927713705763
Energy: 0.41204686457548584
Energy: 0.4167412503134272
Energy: 0.41686699328775845
Energy: 0.4242598530787215
Energy: 0.4090481160132021
Energy: 0.4400825780059178
Energy: 0.4166867334222314
Energy: 0.4160101218768556
Energy: 0.47829862960141795
Energy: 0.4087361547506052
Energy: 0.4325630721716004
Energy: 0.4231654779071786
Energy: 0.4370251781266399
Energy: 0.4429325774067193
Energy: 0.42168200465997185
Energy: 0.4303839726307867
Energy: 0.42338403532447855
Energy: 0.42178163566736315
Energy: 0.40636189786231397
Energy: 0.4216817458014449
Energy: 0.47792068833330914
Energy: 0.43667913700770244
Energy: 0.3978314535050605
Energy: 0.45736626466112335
Energy: 0.4328743103000921
Energy: 0.4250197205788803
Energy: 0.4244673593263709
Energy: 0.3973416051699372
Energy: 0.4567276864215349
Energy: 0.43478786374643924
Energy: 0.4315684457357744
Energy: 0.4206933545551264
Energy: 0.4305702589153664
Energy: 0.42151171317786323
Energy: 0.42649680771392395
Energy: 0.43313486903326615
Energy: 0.41832298275312
Energy: 0.4300391031492809
Energy: 0.41554707781673184
Energy: 0.4267563330342077
Energy: 0.43284592326217675
Energy: 0.4420437387756409
Energy: 0.42544309072862957
Energy: 0.42594277979992257
Energy: 0.42722310862821133
Energy: 0.43519459924494996
Energy: 0.45262904144179006
Energy: 0.40720908326404154
Energy: 0.449244359608117
Energy: 0.42685389569931104
Energy: 0.43207606223465594
Energy: 0.4247797685203421
Energy: 0.40151132445034654
Energy: 0.42504844282559
Energy: 0.4449887819563544
Energy: 0.4265579049982538
Energy: 0.41171142338930145
Energy: 0.4017750377077324
Energy: 0.42494518156205563
Energy: 0.4504551182808985
Energy: 0.42674046883303823
Energy: 0.4089324636554948
Energy: 0.4186813718109454
Energy: 0.4184572680295061
Energy: 0.42291145977741923
Energy: 0.4114911228976601
Energy: 0.40877417514115155
Energy: 0.4186256703766764
Energy: 0.4185870842355395
Energy: 0.44209870831339065
Energy: 0.411315165515757
Energy: 0.44256787951354304
Energy: 0.4148439550522031
Energy: 0.4185753483330025
Energy: 0.43283380508052666
Energy: 0.40728454187354496
Energy: 0.4063439516290526
Energy: 0.4156650335148009
Energy: 0.4184807209221834
Energy: 0.40872835727203005
Energy: 0.40696333133196827
Energy: 0.40146467723602836
Energy: 0.408568399365303
Energy: 0.42797659454433984
Energy: 0.4265754161058284
Energy: 0.4350599813676642
Energy: 0.401144260548004
Energy: 0.4088833605366279
Energy: 0.4276895556063173
Energy: 0.4240933863450053
Energy: 0.4355390862859714
Energy: 0.4092292497562016
Energy: 0.4077788848894406
Energy: 0.4088460217049229
Energy: 0.4211389267941061
Energy: 0.4007821504737352
Energy: 0.40888195009885747
Energy: 0.4077163552153823
Energy: 0.40922604625569214
Energy: 0.4422342032716676
Energy: 0.40091275779732655
Energy: 0.4077947331958036
Energy: 0.40849437924140297
Energy: 0.4126040321503542
Energy: 0.41325480230869993
Energy: 0.40950647606923846
Energy: 0.41156409216930373
Energy: 0.40856059667860417
Energy: 0.4083235732316398
Energy: 0.41220362708721603
Energy: 0.4243540234449808
Energy: 0.40488450679026133
Energy: 0.4135853873253451
Energy: 0.45632527126577493
Energy: 0.488821138458358
Energy: 0.4050282859849659
Energy: 0.40495874543478216
Energy: 0.41309819470467374
Energy: 0.45506454047173717
Energy: 0.48903051044286794
Energy: 0.40492554424199373
Energy: 0.40466313921210906
Energy: 0.40503794198254695
Energy: 0.4639392705830007
Energy: 0.4045303291045687
Energy: 0.41851030331772143
Energy: 0.40457515266801164
Energy: 0.4052690626231713
Energy: 0.41245178710745095
Energy: 0.40474114102455305
Energy: 0.42236594113633485
Energy: 0.4784447322413874
Energy: 0.4115561947471117
Energy: 0.43020039311197217
Energy: 0.40986932671644266
Energy: 0.4377606315361692
Energy: 0.4102478891098334
Energy: 0.4115796463768253
Energy: 0.4306370751797333
Energy: 0.41005165612575767
Energy: 0.4553529746636564
Energy: 0.40542103834761395
Energy: 0.4016905813060761
Energy: 0.41100645788531137
Energy: 0.4054844080527828
Energy: 0.4055524240874568
Energy: 0.4050772391238915
Energy: 0.40252514509257076
Energy: 0.4114623821368793
Energy: 0.40513045207219417
Energy: 0.4059449368754358
Energy: 0.4048813773267447
Energy: 0.4091335206672339
Energy: 0.44881318109040563
Energy: 0.4161088563772485
Energy: 0.40506922908983795
Energy: 0.4051305355967462
Energy: 0.4233719354801042
Energy: 0.4590508691266579
Energy: 0.41435291135687086
Energy: 0.40499181922594346
Energy: 0.6218149900410975
Energy: 0.4131614785923099
Energy: 0.4344178320877058
Energy: 0.4090295194488723
Energy: 0.4072078049958042
Energy: 0.41298596088135114
Energy: 0.413925454288761
Energy: 0.40889553407213974
Energy: 0.40932565233948165
Energy: 0.4064431967091207
Energy: 0.40024649996464484
Energy: 0.42721365270507417
Energy: 0.4117724321486226
Energy: 0.40812591026754624
Energy: 0.4087208547783235
Energy: 0.40496534495291925
Energy: 0.42753415523225313
Energy: 0.4093180310633175
Energy: 0.4088143428859925
Energy: 0.40913213783787095
Energy: 0.4260347211314077
Energy: 0.4195241215239302
Energy: 0.423027626646122
Energy: 0.41851907029125857
Energy: 0.4002011310393702
Energy: 0.43144536332921657
Energy: 0.41790821058689925
Energy: 0.4239037117550411
Energy: 0.41820439904656304
Energy: 0.4000275115525371
Energy: 0.49777443619523837
Energy: 0.4548344263245571
Energy: 0.41697093389546247
Energy: 0.4124922352401036
Energy: 0.4062344269473284
Energy: 0.4505582542872067
Energy: 0.45638857492275725
Energy: 0.4170323448439708
Energy: 0.41227941312656474
Energy: 0.4016671681927499
Energy: 0.40809503685330295
Energy: 0.4452071175624218
Energy: 0.4168722186853348
Energy: 0.4165145749595205
Energy: 0.40910635547075974
Energy: 0.4106987289453298
Energy: 0.43335357574907163
Energy: 0.4166967770581922
Energy: 0.4218073042065506
Energy: 0.4088943107807576
Energy: 0.42781584001714784
Energy: 0.44216596773265154
Energy: 0.43277441291911317
Energy: 0.4319019317457538
Energy: 0.39854299739972326
Energy: 0.43325927145669557
Energy: 0.4352416298829379
Energy: 0.43298486882471926
Energy: 0.3990808953954264
Energy: 0.4047563228120985
Energy: 0.4250746786434549
Energy: 0.4300018309881344
Energy: 0.42249181619266374
Energy: 0.4179968647273618
Energy: 0.43503058906063813
Energy: 0.4248972101980066
Energy: 0.43052936021653415
Energy: 0.43261747384760674
Energy: 0.43098835333307667
Energy: 0.4232395539555876
Energy: 0.4264626246988448
Energy: 0.42516152102725974
Energy: 0.43087445007981173
Energy: 0.41179441329608174
Energy: 0.41544099433910975
Energy: 0.4282566560220505
Energy: 0.4250248708994049
Energy: 0.4300234090572803
Energy: 0.4170351737148418
Energy: 0.41587215658927174
Energy: 0.4266276683382655
Energy: 0.4225185470109171
Energy: 0.5086298881137412
Energy: 0.40624308647209
Energy: 0.4248602380812723
Energy: 0.4265187914180426
Energy: 0.4225885343973131
Energy: 0.5088386577242976
Energy: 0.40632387053103536
Energy: 0.44026952324283264
Energy: 0.4282756032916091
Energy: 0.4263098762517626
Energy: 0.43481104781245833
Energy: 0.43588970110064673
Energy: 0.4272342134801593
Energy: 0.4285112263583804
Energy: 0.4248920597212367
Energy: 0.44447334699509716
Energy: 0.43653303634542723
Energy: 0.42669868809616474
Energy: 0.4360128914802152
Energy: 0.42290263781507453
Energy: 0.42885430425497745
Energy: 0.41845568849573833
Energy: 0.4184101745060299
Energy: 0.43643891897015075
Energy: 0.4146657345487616
Energy: 0.4290863905800971
Energy: 0.41854320210540896
Energy: 0.41841769653848915
Energy: 0.4154254148513201
Energy: 0.40858175838443556
Energy: 0.40657325128857924
Energy: 0.4151264807622739
Energy: 0.4188545157234206
Energy: 0.4154287768471419
Energy: 0.4065426471414216
Energy: 0.4064618785198002
Energy: 0.41500663093123297
Energy: 0.41874417409265474
Energy: 0.45033859074177146
Energy: 0.42013042273355033
Energy: 0.4083444057548869
Energy: 0.40897875594488825
Energy: 0.4275015727142156
Energy: 0.46208833877635674
Energy: 0.40528662097897844
Energy: 0.40803208795143986
Energy: 0.4087696566167249
Energy: 0.44087778156588103
Energy: 0.4623067613013864
Energy: 0.4200544068797639
Energy: 0.40872061740423005
Energy: 0.40797917017761565
Energy: 0.47113885418019064
Energy: 0.4413607278712884
Energy: 0.41001166017320634
Energy: 0.40838424553823843
Energy: 0.407929031192951
Energy: 0.4707916587415652
Energy: 0.4127839716345509
Energy: 0.42567248100318533
Energy: 0.4887129903427627
Energy: 0.4565845285550494
Energy: 0.4137933988216888
Energy: 0.4073477303078121
Energy: 0.42471262871653653
Energy: 0.4880588601226032
Energy: 0.4144391390382749
Energy: 0.4138184263397561
Energy: 0.404840054303448
Energy: 0.40457000447632413
Energy: 0.4047336903009675
Energy: 0.4127598002550072
Energy: 0.4405785747370998
Energy: 0.4079176370445973
Energy: 0.4045500377378749
Energy: 0.4046712671012599
Energy: 0.41249627211121265
Energy: 0.40822985751285806
Energy: 0.40431370561124147
Energy: 0.4215199579678639
Energy: 0.4045039858685436
Energy: 0.46175991620312157
Energy: 0.5066687058263597
Energy: 0.40978395620465097
Energy: 0.42641044273359147
Energy: 0.4043496399666604
Energy: 0.39970052576815457
Energy: 0.48886510864869887
Energy: 0.4035944043204325
Energy: 0.4055183305300588
Energy: 0.4126825695811508
Energy: 0.41229012712708474
Energy: 0.43012271255409423
Energy: 0.4037233884637978
Energy: 0.42826733057411653
Energy: 0.412558241289496
Energy: 0.4076627024682685
Energy: 0.4299052713479498
Energy: 0.4050448511031361
Energy: 0.40456468858226585
Energy: 0.40562620420248136
Energy: 0.4052149424775061
Energy: 0.40803052347715085
Energy: 0.40474986453112993
Energy: 0.40453001716596215
Energy: 0.4051650230945514
Energy: 0.416254088858203
Energy: 0.4071013825229197
Energy: 0.41410157239856527
Energy: 0.40527602275667635
Energy: 0.4263822427217933
Energy: 0.40727675900248805
Energy: 0.42020395377716674
Energy: 0.40730857459406156
Energy: 0.40526905791973444
Energy: 0.43176329538817676
Energy: 0.41434842645464315
Energy: 0.4297684200169846
Energy: 0.40768949219856476
Energy: 0.40939958112225205
Energy: 0.4007975841979478
Energy: 0.43258586332853405
Energy: 0.40812713208592105
Energy: 0.40889009807117327
Energy: 0.40876022301262666
Energy: 0.5094885300228855
Energy: 0.4342186709112812
Energy: 0.40699650588362113
Energy: 0.4070941974182331
Energy: 0.40873782353070587
Energy: 0.4047187742255883
Energy: 0.42135020506344945
Energy: 0.4085436342551368
Energy: 0.4079584587283623
Energy: 0.40288565624788514
Energy: 0.40438478874417133
Energy: 0.4167362081977649
Energy: 0.4073772471166301
Energy: 0.4556412161990808
Energy: 0.4068137558926235
Energy: 0.4134367159793788
Energy: 0.423673511244984
Energy: 0.4569865106219039
Energy: 0.4394418922825795
Energy: 0.40615358948984814
Energy: 0.40264379520822113
Energy: 0.4244109815362585
Energy: 0.4529882663738217
Energy: 0.4091899300840504
Energy: 0.40200022793584583
Energy: 0.42476083199892994
Energy: 0.4167599273205061
Energy: 0.41668653128940775
Energy: 0.4089428765222654
Energy: 0.43743371032060535
Energy: 0.4745557388284129
Energy: 0.41607564054255197
Energy: 0.41630518274331224
Energy: 0.41149467788327365
Energy: 0.4081036866762213
Energy: 0.43375787250770054
Energy: 0.41822037471629564
Energy: 0.41045328468785175
Energy: 0.4118075787883262
Energy: 0.40883548727757524
Energy: 0.4363659148056557
Energy: 0.41465966489567213
Energy: 0.41590108093038447
Energy: 0.40101678883902375
Energy: 0.4167807486538513
Energy: 0.4306100339853502
Energy: 0.4407040396894339
Energy: 0.3990943168059615
Energy: 0.3969211928640399
Energy: 0.4135300947716695
Energy: 0.4219622385974747
Energy: 0.4417116475939259
Energy: 0.40474507576048646

minimum gb energy = 0.3969211928640399 eV
minimum distance =  2.72652751922655 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.7520099802849504
Energy: 0.5421336870892083
Energy: 0.5433149604968754
Energy: 0.5322813868838776
Energy: 0.526021654866089
Energy: 0.5169483466084507
Energy: 0.5334029066214212
Energy: 0.5559235602394046
Energy: 0.5331117051029007
Energy: 0.5279296022391627
Energy: 0.5091032786117886
Energy: 0.5351091469474728
Energy: 0.5353096475453364
Energy: 0.5347399066330041
Energy: 0.5180219441331378
Energy: 0.5169533148771052
Energy: 0.5360055123073848
Energy: 0.5376052423217637
Energy: 0.5350981699738023
Energy: 0.5179633835297532
Energy: 0.5365670044676217
Energy: 0.5352612622695248
Energy: 0.5369642262636644
Energy: 0.5512789142078705
Energy: 0.5141817566951572
Energy: 0.5364085524111338
Energy: 0.5352065345778853
Energy: 0.5387365690228887
Energy: 0.517832023726951
Energy: 0.5147337417128823
Energy: 0.5979030473341959
Energy: 0.5539250876229487
Energy: 0.5356085381715945
Energy: 0.5180052474004297
Energy: 0.5143059821669714
Energy: 0.5448850984827657
Energy: 0.5555638750312091
Energy: 0.5359268256630771
Energy: 0.5182301942240889
Energy: 0.5155247613619598
Energy: 0.5163674225296642
Energy: 0.5187349022522005
Energy: 0.5422916949763743
Energy: 0.5170217959185147
Energy: 0.5358424344940387
Energy: 0.5164684297500484
Energy: 0.5466054079687857
Energy: 0.542231783439094
Energy: 0.5169827032503221
Energy: 0.5233944403119878
Energy: 0.516965438357944
Energy: 0.5187845620352142
Energy: 0.5599242687840117
Energy: 0.548666423362356
Energy: 0.517866849055191
Energy: 0.5169024427550069
Energy: 0.5174987006964928
Energy: 0.5211580273656199
Energy: 0.5488792099787382
Energy: 0.5177861123011197
Energy: 0.5185301930860451
Energy: 0.5183050547387323
Energy: 0.5171461197923548
Energy: 0.5172392813860808
Energy: 0.5179194033952373
Energy: 0.5188852572150563
Energy: 0.526460229357463
Energy: 0.5374028381664461
Energy: 0.550619455221881
Energy: 0.5183344072218077
Energy: 0.5181184036712787
Energy: 0.5177058895430918
Energy: 0.5357162254632702
Energy: 0.5178522900496186
Energy: 0.5163736624303324
Energy: 0.518533826040723
Energy: 0.5177188277290931
Energy: 0.5518583390869576
Energy: 0.5172733161266567
Energy: 0.5174251905888482
Energy: 0.5089392025508909
Energy: 0.5180367282522281
Energy: 0.5345343546925967
Energy: 0.5353751918498663
Energy: 0.5170244836667399
Energy: 0.5098546833419136
Energy: 0.5172690849155068
Energy: 0.5350866940675046
Energy: 0.5366648998545445
Energy: 0.5167144430326945

minimum gb energy = 0.5089392025508909 eV
minimum distance =  2.70526256789118 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.8895842497370873
Energy: 0.6017667626323453
Energy: 0.6170819641568367
Energy: 0.6118787042612553
Energy: 0.6239188264333535
Energy: 0.5954956692557228
Energy: 0.613954844345382
Energy: 0.6202643954081006
Energy: 0.6112286375311645
Energy: 0.6191400459445836
Energy: 0.6195265708993318
Energy: 0.5985440901194039
Energy: 0.6237458520986175
Energy: 0.6218606112871133
Energy: 0.611365822390548
Energy: 0.6234670006407159
Energy: 0.5987785688299415
Energy: 0.622242831858277
Energy: 0.6206111486102251
Energy: 0.6054576968435641
Energy: 0.5974576371007159
Energy: 0.6120600222873891
Energy: 0.6096855827274142
Energy: 0.6232853582791726
Energy: 0.5950493661595501
Energy: 0.5963573549705745
Energy: 0.6110004469100432
Energy: 0.6114704655676412
Energy: 0.6369227562063082
Energy: 0.6058776072135019
Energy: 0.6393327246263314
Energy: 0.6087727394244793
Energy: 0.5959879075301768
Energy: 0.6150305705999917
Energy: 0.6362847413021486
Energy: 0.6388858427228187
Energy: 0.6084623987343611
Energy: 0.5986291939929353
Energy: 0.6168754866266098
Energy: 0.6136336699021065
Energy: 0.6140299292563799
Energy: 0.6050515815527933
Energy: 0.6022007409705047
Energy: 0.624615443620893
Energy: 0.6072623553234733
Energy: 0.6155798641009121
Energy: 0.596241309384425
Energy: 0.5973403625789335
Energy: 0.6239624972359143
Energy: 0.6102909041618643
Energy: 0.6093321787997278
Energy: 0.6199131920011456
Energy: 0.63334291499354
Energy: 0.6226529591023365
Energy: 0.6096454089411482
Energy: 0.6096961642321916
Energy: 0.616834065953467
Energy: 0.6300551889191266
Energy: 0.6223494154758397
Energy: 0.6089841510115842
Energy: 0.6059680532147375
Energy: 0.7036510019075195
Energy: 0.5994963899108708
Energy: 0.6125397408068739
Energy: 0.6206914517221244
Energy: 0.6429234053587629
Energy: 0.6078603095525472
Energy: 0.6145453615295746
Energy: 0.6142077606392243
Energy: 0.6215517547740764
Energy: 0.6120911707369515
Energy: 0.5935150701404319
Energy: 0.6343162529082432
Energy: 0.6368873166079059
Energy: 0.6218285295188067
Energy: 0.6202234559740458
Energy: 0.6087798165961869
Energy: 0.6214311293162066
Energy: 0.6353170987129217
Energy: 0.6231333739036062
Energy: 0.5961616372614417
Energy: 0.6258329770680687
Energy: 0.6262120884268283
Energy: 0.612571754517775
Energy: 0.6347401638181553
Energy: 0.6060816477966414
Energy: 0.6283926580336341
Energy: 0.6272619762135923
Energy: 0.6129150721614831
Energy: 0.6236198821589601
Energy: 0.6601463319495752
Energy: 0.6078931312988728
Energy: 0.6246300711964186
Energy: 0.6146929675302272
Energy: 0.609570891818817
Energy: 0.6617861017154638
Energy: 0.6085039058746393
Energy: 0.623327222210714
Energy: 0.6138865025239214
Energy: 0.6103656701922444
Energy: 0.5979243497452408
Energy: 0.6002382227270256
Energy: 0.5935537309236267
Energy: 0.5934494275332425
Energy: 0.6393089801177962
Energy: 0.5980725480756053
Energy: 0.5993840760335328
Energy: 0.5935790937244282
Energy: 0.5933807372042885
Energy: 0.638401119578612
Energy: 0.6023104845395606
Energy: 0.5976572009640335
Energy: 0.61809082341472
Energy: 0.6077680206482667
Energy: 0.6086904485820728
Energy: 0.601475423842254
Energy: 0.5978089987621507
Energy: 0.6205782891041772
Energy: 0.6075230210953482
Energy: 0.6164385563869076
Energy: 0.6053116852492139
Energy: 0.6385830648589453
Energy: 0.6383077129003336
Energy: 0.605587206429704
Energy: 0.6004380404450445
Energy: 0.6064910795546825
Energy: 0.6211694565358487
Energy: 0.6123573055947085
Energy: 0.6030574917791909
Energy: 0.5991188079465458
Energy: 0.6022025019749482
Energy: 0.6003880639055468
Energy: 0.5978506286330793
Energy: 0.6082660584780296
Energy: 0.5940986100010279
Energy: 0.6028955326667932
Energy: 0.5996240859056574
Energy: 0.603733598632962
Energy: 0.6071783460572998
Energy: 0.6248010829659465
Energy: 0.6060164310579258
Energy: 0.6201177516073249
Energy: 0.6272634942262786
Energy: 0.6189924732680125
Energy: 0.6023859086724784
Energy: 0.6067419687896839
Energy: 0.6224660315455749
Energy: 0.6262187212777882
Energy: 0.6068123689259329
Energy: 0.6039177069037467
Energy: 0.6199148063207504
Energy: 0.6590294132887988
Energy: 0.6122189688241596
Energy: 0.6261178239502739
Energy: 0.606348527465685
Energy: 0.6188407376972918
Energy: 0.6594009781519605
Energy: 0.6133891273482522
Energy: 0.5988959061884435
Energy: 0.6060843283275757
Energy: 0.6099982137429149
Energy: 0.6259739103629453
Energy: 0.6136010395010612
Energy: 0.6017679735869305
Energy: 0.6079342908023595
Energy: 0.6098540735935559
Energy: 0.6266398650274457
Energy: 0.6135055578880424
Energy: 0.6040410959853425
Energy: 0.5940420648750743
Energy: 0.6273137935541588
Energy: 0.6173372591532698
Energy: 0.610475961608766
Energy: 0.6189984599624314
Energy: 0.5975785383481411
Energy: 0.626063811929934
Energy: 0.617609128585124
Energy: 0.6102147208689498
Energy: 0.6130834614632211
Energy: 0.597878418031254
Energy: 0.605800971347722
Energy: 0.6213897141588275
Energy: 0.6240830508857367
Energy: 0.6027952171831129
Energy: 0.6126306668777488
Energy: 0.6080529216218078
Energy: 0.62257135422425
Energy: 0.5962762997298173
Energy: 0.6024139836405554
Energy: 0.6147047750798622
Energy: 0.5936777836655278
Energy: 0.6020014162294575
Energy: 0.6098249368303952
Energy: 0.609346809379299
Energy: 0.596611001039436
Energy: 0.5952959558838211
Energy: 0.5960027839891235
Energy: 0.6443331522418935
Energy: 0.6092881262047517
Energy: 0.5962543609618138
Energy: 0.6831083777169158
Energy: 0.6104646767117502
Energy: 0.6156201327651466
Energy: 0.6101757296612046
Energy: 0.6099428462121724
Energy: 0.6010383534684686
Energy: 0.6102387079005183
Energy: 0.6077585622321908
Energy: 0.6112276537904489
Energy: 0.5955142690771746
Energy: 0.6050404617146837
Energy: 0.6185514625653585
Energy: 0.6208350803019793
Energy: 0.6094365268477098
Energy: 0.6002603718052443
Energy: 0.6064244538223577
Energy: 0.6185626908320193
Energy: 0.6206830566641417
Energy: 0.6092416832129263
Energy: 0.599757508550405
Energy: 0.6130463700895562
Energy: 0.6107359669591412
Energy: 0.6248887301855166
Energy: 0.6216949769653286
Energy: 0.5936616373881655
Energy: 0.6108043539666441
Energy: 0.611062990991198
Energy: 0.6191502622035261
Energy: 0.6220753742245981
Energy: 0.6221295688949715
Energy: 0.6072754442021838
Energy: 0.6200400106392091
Energy: 0.633867243986385
Energy: 0.6015514012869564
Energy: 0.6053968345108431
Energy: 0.6363528070081198
Energy: 0.6201754784307741
Energy: 0.6171475086861276
Energy: 0.603454856076203
Energy: 0.593586984573136
Energy: 0.6256958673108797
Energy: 0.6098478636300025
Energy: 0.6291132613353155
Energy: 0.594892627733182
Energy: 0.5995445072977266
Energy: 0.6283255291602418
Energy: 0.6101425977457463
Energy: 0.6443901559122605
Energy: 0.5951582644348589
Energy: 0.6076436767570258
Energy: 0.6264554688666596
Energy: 0.6207056106378841
Energy: 0.6079972938872666
Energy: 0.6615125006321788
Energy: 0.6093109779349827
Energy: 0.6257736883309988
Energy: 0.6225207374087558
Energy: 0.6069444684910772
Energy: 0.6620119578147922
Energy: 0.6084878446941023
Energy: 0.6224723961423042
Energy: 0.5942921312753902
Energy: 0.5992657909243371
Energy: 0.6011442029206174
Energy: 0.6003824646083765
Energy: 0.5932300646742868
Energy: 0.5938054720855167
Energy: 0.5994272336237534
Energy: 0.5995505214377583
Energy: 0.600409158011138
Energy: 0.6306463622942486
Energy: 0.5969309444961498
Energy: 0.5991067570359364
Energy: 0.6054878505537298
Energy: 0.5995051678529382
Energy: 0.6104866332324116
Energy: 0.5963284880157238
Energy: 0.6028753089873446
Energy: 0.6029484973572431
Energy: 0.6014104258609312
Energy: 0.595403349840783
Energy: 0.599974757119298
Energy: 0.5975161153244568
Energy: 0.6032916855056879
Energy: 0.6072554718181122
Energy: 0.6045966797969831
Energy: 0.6002327761943081
Energy: 0.5970828130865475
Energy: 0.6047672382655059
Energy: 0.6076414859482748
Energy: 0.6499788953313692
Energy: 0.6275203833522789
Energy: 0.5970715635448058
Energy: 0.6015736378872086
Energy: 0.6093625579337291
Energy: 0.6083608010088711
Energy: 0.6281015983830702
Energy: 0.5941625239714114
Energy: 0.6020085648383744
Energy: 0.6132560010723929
Energy: 0.6109150188069791
Energy: 0.6300472736618687
Energy: 0.6000385012310648
Energy: 0.6062172776006935
Energy: 0.6095503748269666
Energy: 0.6143293299986632
Energy: 0.6313901858524639
Energy: 0.6788202589794883
Energy: 0.603750900642517
Energy: 0.617173698880593
Energy: 0.6053567582979481
Energy: 0.6245185470607756
Energy: 0.6155465204665654
Energy: 0.6294052691196115
Energy: 0.6324577575881113
Energy: 0.6053802468411608
Energy: 0.6249219177463619
Energy: 0.6079420988991112
Energy: 0.6209537483843858
Energy: 0.6574527342286465
Energy: 0.6347063688514879
Energy: 0.6028015908546578
Energy: 0.6308977742564065
Energy: 0.5994915701970162
Energy: 0.6138289259267874
Energy: 0.6355533777581135
Energy: 0.6017614329772336
Energy: 0.6060889594935617
Energy: 0.6122831605978015
Energy: 0.6186125184248497
Energy: 0.6108221547173732
Energy: 0.6078084179974943
Energy: 0.6242713407493932
Energy: 0.6217525339165105
Energy: 0.6198347812184308
Energy: 0.6104778437741676
Energy: 0.5999948236968231
Energy: 0.6217742918716939
Energy: 0.6213726016491776
Energy: 0.6186030154730917
Energy: 0.61867792620771
Energy: 0.606303875296911
Energy: 0.6117728924748109
Energy: 0.6114171647332287
Energy: 0.6175143692958635
Energy: 0.6190798119079356
Energy: 0.6174179539638567
Energy: 0.6116916733966099
Energy: 0.6123402572410126
Energy: 0.6197092116653706
Energy: 0.6171385646521532
Energy: 0.6082077177268966
Energy: 0.5963785670325585
Energy: 0.5953242211847102
Energy: 0.619610000273236
Energy: 0.6084500098689101
Energy: 0.645103192675959
Energy: 0.5962567950518258
Energy: 0.5959427431779113
Energy: 0.6195611007366596
Energy: 0.6231943941733191
Energy: 0.5952286293049599
Energy: 0.5957427888322782
Energy: 0.6843043639337284
Energy: 0.6021082728438851
Energy: 0.6201234870748751
Energy: 0.6098416549109187
Energy: 0.5960618719638117
Energy: 0.6654329383801683
Energy: 0.6027157847759401
Energy: 0.623205470594006
Energy: 0.6132158848725564
Energy: 0.6118729405270152
Energy: 0.6150531079748551
Energy: 0.6296058476872443
Energy: 0.6232121017252035
Energy: 0.6115882693799334
Energy: 0.6118773206733075
Energy: 0.6062215598880067
Energy: 0.6288845893953932
Energy: 0.6192277100327719
Energy: 0.6209787249522686
Energy: 0.622963138836316
Energy: 0.6086672913744385
Energy: 0.6109730313852093
Energy: 0.6208525216934757
Energy: 0.6213866139282735
Energy: 0.6227041413721788
Energy: 0.62161993209121
Energy: 0.6108510617814512
Energy: 0.6162772142781887
Energy: 0.6129324137486923
Energy: 0.6157914026265723
Energy: 0.6672498202456755
Energy: 0.6206451304545102
Energy: 0.6200907464218861
Energy: 0.6148850147765318
Energy: 0.6383800118704236
Energy: 0.6360383762242896
Energy: 0.6206596114262185
Energy: 0.6347301483787274
Energy: 0.6209824913905646
Energy: 0.6148620701469422
Energy: 0.6249273296461435
Energy: 0.6135413861031651
Energy: 0.6360699289843386
Energy: 0.6301374070174034
Energy: 0.6184035935671075
Energy: 0.6244004932742178
Energy: 0.6128940600098347
Energy: 0.6178742222706122
Energy: 0.6040927985007395
Energy: 0.6174227268523595
Energy: 0.6319122096975732
Energy: 0.6111092140289097
Energy: 0.6091517724295266
Energy: 0.621282254518024
Energy: 0.6176673716502978
Energy: 0.626948036038516
Energy: 0.6184397670690902
Energy: 0.6338678623346369
Energy: 0.603089530778473
Energy: 0.5986957153499366
Energy: 0.6083200303293362
Energy: 0.5927401280819942
Energy: 0.6306356887987515
Energy: 0.6139891307274619
Energy: 0.5986713517223806
Energy: 0.6079551499679908
Energy: 0.6779445959402581
Energy: 0.6076408774840282
Energy: 0.6052252605103023
Energy: 0.5967129349701735
Energy: 0.6005997690321349
Energy: 0.5940082013616315
Energy: 0.5979218182867573
Energy: 0.6038426584694104
Energy: 0.5973693789893021
Energy: 0.5999781504886935
Energy: 0.5926438511130053
Energy: 0.60044107879683
Energy: 0.6033065932467738
Energy: 0.6078759840968788
Energy: 0.594722513875821
Energy: 0.6100080398215876
Energy: 0.6015232179740226
Energy: 0.6059336787611348
Energy: 0.5996761795056407
Energy: 0.5943130380573624
Energy: 0.6089865521180372
Energy: 0.600511437364757
Energy: 0.5999046234764804
Energy: 0.5988698774096831
Energy: 0.6439614397594323
Energy: 0.6088631545086122
Energy: 0.5999960355064122
Energy: 0.6203669112358523
Energy: 0.5998729900215184
Energy: 0.6088043960090546
Energy: 0.6067104508787319
Energy: 0.6094807118450762
Energy: 0.6741125263566419
Energy: 0.6126369498547731
Energy: 0.6206315162716303
Energy: 0.6255555736784103
Energy: 0.6041324010459032
Energy: 0.6403526194584628
Energy: 0.6132095564264696
Energy: 0.6210927236330481
Energy: 0.626222986002754
Energy: 0.6001481864257169
Energy: 0.5950326241681503
Energy: 0.6206113897933777
Energy: 0.6112984874375679
Energy: 0.6263578923077979
Energy: 0.599898989026433
Energy: 0.5952110260897227
Energy: 0.6445888309018538
Energy: 0.6109478400419801
Energy: 0.6263164137629589
Energy: 0.5932232329643351
Energy: 0.6064887544806479
Energy: 0.6148389584529903
Energy: 0.6204484151996111
Energy: 0.635762192636808
Energy: 0.6218147004865548
Energy: 0.6054661392373419
Energy: 0.6171743911865882
Energy: 0.6207142348562958
Energy: 0.6127570411074742

minimum gb energy = 0.5926438511130053 eV
minimum distance =  2.66867196894097 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 0.8509801180329368
Energy: 0.5895243018255298
Energy: 0.6265404692538894
Energy: 0.6082289508009091
Energy: 0.585742689252592
Energy: 0.5877555593339541
Energy: 0.6120729752829364
Energy: 0.6078958134671806
Energy: 0.6121432857982482
Energy: 0.5893550036268903
Energy: 0.6226603314531656
Energy: 0.6007272408605419
Energy: 0.6202160428097497
Energy: 0.6074035699730381
Energy: 0.6235113130641748
Energy: 0.6154856086394177
Energy: 0.5968699602708548
Energy: 0.6204819945528476
Energy: 0.6160737417424227
Energy: 0.6069206921492494
Energy: 0.620516772656602
Energy: 0.6168973857062598
Energy: 0.607862852064651
Energy: 0.6281799117831555
Energy: 0.6062928433170451
Energy: 0.6123215220055417
Energy: 0.612188899981101
Energy: 0.6090763188854971
Energy: 0.6353894793940794
Energy: 0.5984404224706757
Energy: 0.6467050057310237
Energy: 0.6168390941168284
Energy: 0.5959171984277932
Energy: 0.6151839886125949
Energy: 0.6597233989217799
Energy: 0.6379758725667157
Energy: 0.6032289616676682
Energy: 0.5964116260605228
Energy: 0.6227492274844182
Energy: 0.60567860485715
Energy: 0.6182911877122678
Energy: 0.6002876955967761
Energy: 0.6101588889262899
Energy: 0.6180520931622617
Energy: 0.6078330394849729
Energy: 0.6198372501677856
Energy: 0.5995117431675504
Energy: 0.6081404146485939
Energy: 0.6189913943095351
Energy: 0.6077843949537836
Energy: 0.6149731482735399
Energy: 0.6090762581834147
Energy: 0.6276070552054575
Energy: 0.6189944716486833
Energy: 0.6134966627403678
Energy: 0.6159851406995002
Energy: 0.6096010757606358
Energy: 0.6198392118218795
Energy: 0.6196445570825359
Energy: 0.5999135608779975
Energy: 0.609180451916778
Energy: 0.604938438703265
Energy: 0.6101274460778245
Energy: 0.6107315889236009
Energy: 0.614828291062886
Energy: 0.6265379552328723
Energy: 0.6095752207778667
Energy: 0.6212117814612603
Energy: 0.6117440154829052
Energy: 0.6204537931216859
Energy: 0.6353935150833566
Energy: 0.6010939652413418
Energy: 0.6421573711536094
Energy: 0.6485921806252873
Energy: 0.6242220024412375
Energy: 0.6372101493223716
Energy: 0.608580691647863
Energy: 0.6418168803174624
Energy: 0.6473726142081053
Energy: 0.6162284908503725
Energy: 0.6084096101995998
Energy: 0.6416477958276199
Energy: 0.6354429536909143
Energy: 0.619924318563829
Energy: 0.6345570641462611
Energy: 0.6077884536455102
Energy: 0.639217665269131
Energy: 0.6348291436724395
Energy: 0.6115498546116912
Energy: 0.6184340650872756
Energy: 0.6124125370477738
Energy: 0.6008040767166066
Energy: 0.634852136596767
Energy: 0.6077169917322971
Energy: 0.6168071243132143
Energy: 0.6700057923924989
Energy: 0.6009440776277072
Energy: 0.6288035918691831
Energy: 0.6072243735079109
Energy: 0.616391838988258
Energy: 0.6078309298141257
Energy: 0.6131444408951335
Energy: 0.5891082823217335
Energy: 0.5882659176178683
Energy: 0.6239952393485616
Energy: 0.6116619638006889
Energy: 0.6167466399813508
Energy: 0.5886945696081053
Energy: 0.5888246917275229
Energy: 0.625968547491931
Energy: 0.5914548406372682
Energy: 0.6167847421077256
Energy: 0.6087644685368044
Energy: 0.6096157023765933
Energy: 0.6052592408924458
Energy: 0.5914420198901325
Energy: 0.6086337169877376
Energy: 0.6096280182702929
Energy: 0.6124177079029529
Energy: 0.6080883347899224
Energy: 0.6058738075936544
Energy: 0.6431285102130936
Energy: 0.6048313481786052
Energy: 0.6115487957216899
Energy: 0.6067252172032561
Energy: 0.6059996415499869
Energy: 0.6545359215391537
Energy: 0.6053487647371868
Energy: 0.611373931555503
Energy: 0.6055484037663265
Energy: 0.6121214571748465
Energy: 0.6205697111098306
Energy: 0.6539010947067799
Energy: 0.6457864339600466
Energy: 0.5878063836976718
Energy: 0.61638126669214
Energy: 0.6067311085016935
Energy: 0.6548406846385292
Energy: 0.6474100187056592
Energy: 0.6167735209415481
Energy: 0.6026441896466207
Energy: 0.6119555332130094
Energy: 0.6161571197543974
Energy: 0.6278215414972813
Energy: 0.5902510617621586
Energy: 0.6461125759953927
Energy: 0.6120472391190981
Energy: 0.6166923108780791
Energy: 0.6154354265478047
Energy: 0.6150109046731772
Energy: 0.6202378726559431
Energy: 0.6196562941850841
Energy: 0.6018371763844096
Energy: 0.6369101110404504
Energy: 0.6050632290839663
Energy: 0.6200993298109936
Energy: 0.6203665428208517
Energy: 0.6008201896825652
Energy: 0.6417892998226725
Energy: 0.606264617666912
Energy: 0.6133764816606938
Energy: 0.6145716968300475
Energy: 0.6264087826914577
Energy: 0.6014445225796061
Energy: 0.6140806097770577
Energy: 0.6131942817026184
Energy: 0.6152706145587787
Energy: 0.6255689573295478
Energy: 0.6136796450360648
Energy: 0.6107893342247497
Energy: 0.6304753524214393
Energy: 0.6444786111712631
Energy: 0.625652673013195
Energy: 0.6191194365087312
Energy: 0.6144487284947008
Energy: 0.6370213072567391
Energy: 0.6448154292873207
Energy: 0.6162513041391312
Energy: 0.6014850060254159
Energy: 0.6058844983447654
Energy: 0.6163804910789757
Energy: 0.6100621325068567
Energy: 0.6253693683686007
Energy: 0.60935172073874
Energy: 0.6337756968002416
Energy: 0.619911614953931
Energy: 0.6098292886519705
Energy: 0.6319472254619438
Energy: 0.6097920725604046
Energy: 0.6330773143334222
Energy: 0.6065779046343927
Energy: 0.6035501303988208
Energy: 0.6303983570336213
Energy: 0.6099087234313155
Energy: 0.6013874525640027
Energy: 0.6065777554427388
Energy: 0.6007504789162157
Energy: 0.674217851973145
Energy: 0.6099563524210802
Energy: 0.6217642672289818
Energy: 0.6956863995257659
Energy: 0.621432165704229
Energy: 0.6066184264289086
Energy: 0.6080675115013314
Energy: 0.5847754630455784
Energy: 0.8341816607683881
Energy: 0.6227042006127957
Energy: 0.6085484618947197
Energy: 0.6134046905208872
Energy: 0.5855426287529807
Energy: 0.6219451197822855
Energy: 0.598349875984064
Energy: 0.611687930590742
Energy: 0.612944308978257
Energy: 0.6131341037108196
Energy: 0.6222288739752699
Energy: 0.5966003372991199
Energy: 0.6122551028669164
Energy: 0.6132885040022169
Energy: 0.608983289888502
Energy: 0.6202073242360897
Energy: 0.6099594473845714
Energy: 0.6045655044400597
Energy: 0.6442756989117749
Energy: 0.6035121082190552
Energy: 0.6147866071967856
Energy: 0.6097438331765727
Energy: 0.6048427860131135
Energy: 0.6467779824706631
Energy: 0.619875887241732
Energy: 0.6334610690691327
Energy: 0.6103063217426163
Energy: 0.663357179069567
Energy: 0.6183950198885357
Energy: 0.6187528599167051
Energy: 0.6291852256826396
Energy: 0.609647325103044
Energy: 0.598939455758575
Energy: 0.6166564239588116
Energy: 0.5979014042984289
Energy: 0.6185587566033193
Energy: 0.5982748402948661
Energy: 0.6060812299328017
Energy: 0.6195212495603101
Energy: 0.6090290856418308
Energy: 0.619013536420172
Energy: 0.599818446189619
Energy: 0.6062041398561683
Energy: 0.6208753881218877
Energy: 0.6086394148906258
Energy: 0.6167864676807683
Energy: 0.6063516088325581
Energy: 0.620544130931345
Energy: 0.6184156118313604
Energy: 0.621077664313996
Energy: 0.6172666744001737
Energy: 0.6058360172465249
Energy: 0.6208199501615507
Energy: 0.6181884839270633
Energy: 0.6158400736734079
Energy: 0.6129401314436888
Energy: 0.6052325502623287
Energy: 0.6235598110315586
Energy: 0.6122732270914881
Energy: 0.6223691884557694
Energy: 0.6121685743040558
Energy: 0.6092716961959461
Energy: 0.6232904896439142
Energy: 0.6138017822771709
Energy: 0.6236367157327508
Energy: 0.6470177716410551
Energy: 0.6406740872388573
Energy: 0.6060808111349519
Energy: 0.6465060783467375
Energy: 0.6378744200743567
Energy: 0.6130129752271392
Energy: 0.6377376046800093
Energy: 0.6098493556178122
Energy: 0.6457817123637686
Energy: 0.6308023558142958
Energy: 0.6045950536158636
Energy: 0.622744761642666
Energy: 0.6325464851615908
Energy: 0.6279818207743366
Energy: 0.6181651036042035
Energy: 0.6218300505794936
Energy: 0.6409722252471497
Energy: 0.6332487918082343
Energy: 0.6100808973943904
Energy: 0.6191499619605298
Energy: 0.6689502074647187
Energy: 0.6103902687277262
Energy: 0.632374551034564
Energy: 0.6100861248073959
Energy: 0.6036082431891588
Energy: 0.6091655507282779
Energy: 0.6036713663634206
Energy: 0.6289882874540521
Energy: 0.5923449729338711
Energy: 0.6144624415435765
Energy: 0.6180766272123612
Energy: 0.6151825253674778
Energy: 0.6132617215566013
Energy: 0.5853527140107216
Energy: 0.6272669203726698
Energy: 0.6120492214217826
Energy: 0.6135390384463814
Energy: 0.5889263905388766
Energy: 0.5910255649701015
Energy: 0.6270959850731613
Energy: 0.6129998115861233
Energy: 0.6119681949281316
Energy: 0.6101018126957912
Energy: 0.6110412794855019
Energy: 0.5979846820937702
Energy: 0.6171475823157823
Energy: 0.6116179998928981
Energy: 0.6103921057066203
Energy: 0.6125172084449051
Energy: 0.5979517209981793
Energy: 0.6099868357137612
Energy: 0.6223270333264052
Energy: 0.6059720234580683
Energy: 0.6122552194436882
Energy: 0.6089398419895454
Energy: 0.617906545407246
Energy: 0.6209243350548697
Energy: 0.6061947265129283
Energy: 0.6129516228737033
Energy: 0.6077433714343774
Energy: 0.6025350058750781
Energy: 0.6077079690389626
Energy: 0.6224262699526052
Energy: 0.6161651900047407
Energy: 0.6295910598913187
Energy: 0.6126045467941549
Energy: 0.6205103106375597
Energy: 0.6184521745803562
Energy: 0.645530065901305
Energy: 0.7040315413876609
Energy: 0.6399741914736006
Energy: 0.6116683888593983
Energy: 0.6153979228597072
Energy: 0.6209598718514451
Energy: 0.6292506806196037
Energy: 0.621669044572657
Energy: 0.6099611130076665
Energy: 0.6147824836683684
Energy: 0.6138998052735524
Energy: 0.5875861994029977
Energy: 0.6185414469568639
Energy: 0.619232997135484
Energy: 0.5998043621321817
Energy: 0.631889601237959
Energy: 0.6099657806236723
Energy: 0.6191600916107132
Energy: 0.6197761605539476
Energy: 0.599145704599815
Energy: 0.6243853076325532
Energy: 0.6440513754059525
Energy: 0.6120157862594149
Energy: 0.609212231009081
Energy: 0.6316762037809563
Energy: 0.6092916171191948
Energy: 0.6130067216664048
Energy: 0.6138870196299838
Energy: 0.6093333006738982
Energy: 0.6224145434829195
Energy: 0.6048128316421482
Energy: 0.6147783570777043
Energy: 0.623816716036082
Energy: 0.645719089957915
Energy: 0.6307763369565689
Energy: 0.6098401445176016
Energy: 0.631985926384665
Energy: 0.6306784096521868
Energy: 0.6469003410810602
Energy: 0.6404204347217374
Energy: 0.6100052791557702
Energy: 0.6390836120928944
Energy: 0.6222696882048735
Energy: 0.5979878999750651
Energy: 0.6321604255569481
Energy: 0.6126934292204728
Energy: 0.6378386307672451
Energy: 0.6116725011985101
Energy: 0.5950685236662152
Energy: 0.6324344008948852
Energy: 0.6113048642375867
Energy: 0.6423103892976101
Energy: 0.5870286689852536
Energy: 0.6053271640777744
Energy: 0.6155021353438309
Energy: 0.620694648263491
Energy: 0.5994256536554272
Energy: 0.6212794187386992
Energy: 0.6060210247012143
Energy: 0.6696334828631547
Energy: 0.618860742960174
Energy: 0.5979889556198752

minimum gb energy = 0.5847754630455784 eV
minimum distance =  2.66329606169711 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5694023150854954
Energy: 0.5710100823093129
Energy: 0.583696950450196
Energy: 0.6027200894378065
Energy: 0.5706140086202403
Energy: 0.5692119550148995
Energy: 0.5834463128913396
Energy: 0.5817322179553395
Energy: 0.6023991367971909
Energy: 0.57036857707039
Energy: 0.571223952014912
Energy: 0.5795621733482637
Energy: 0.5779235836394965
Energy: 0.586410813821495
Energy: 0.5999711254328973
Energy: 0.6056791819624745
Energy: 0.5794067151116004
Energy: 0.5780961474608571
Energy: 0.5872690167680186
Energy: 0.600491029058308
Energy: 0.5859634003935064
Energy: 0.5838492359299863
Energy: 0.5807392637277546
Energy: 0.585062242913789
Energy: 0.6054392837978408
Energy: 0.586026945764264
Energy: 0.5875879584366948
Energy: 0.5804837226550902
Energy: 0.6034260144822915
Energy: 0.5872694269950978
Energy: 0.5879441197033891
Energy: 0.5733949128350768
Energy: 0.5701536938212388
Energy: 0.5857275153169462
Energy: 0.5812059604345113
Energy: 0.5886523737989455
Energy: 0.5730723684320644
Energy: 0.5704131831586713
Energy: 0.5853364799209668
Energy: 0.5714754449720725
Energy: 0.6033436229747363
Energy: 0.5721940608846724
Energy: 0.5713771745188738
Energy: 0.6148698135942537
Energy: 0.5838176069956308
Energy: 0.6004073722405352
Energy: 0.5713421151831661
Energy: 0.5707913824907558
Energy: 0.5827677208132922
Energy: 0.5842435663977591
Energy: 0.5864306280264122
Energy: 0.5819612907656837
Energy: 0.5842890047805902
Energy: 0.5791974490447245
Energy: 0.5770375312092235
Energy: 0.5883222842078351
Energy: 0.6058091422935489
Energy: 0.6025554297585615
Energy: 0.58033215906005
Energy: 0.5767230224386092
Energy: 0.5843077560946068
Energy: 0.568987113823176
Energy: 0.585320923067115
Energy: 0.5803111167414595
Energy: 0.5806419567812374
Energy: 0.5840333740922433
Energy: 0.5676644469135417
Energy: 0.5847783374828259
Energy: 0.5809282126737773
Energy: 0.5786752108091829
Energy: 0.6001338330002226
Energy: 0.618634572198638
Energy: 0.5865928907733245
Energy: 0.5715001704565693
Energy: 0.5708580052657755
Energy: 0.6009372306016199
Energy: 0.5789448914609691
Energy: 0.5841941635644113
Energy: 0.5736100817185085
Energy: 0.5707840536699923
Energy: 0.579926765674025
Energy: 0.5782664098303345
Energy: 0.5855874274742253
Energy: 0.5705043144032099
Energy: 0.5818015319845715
Energy: 0.5800382742733652
Energy: 0.5856627892220935
Energy: 0.5851832992181253
Energy: 0.5704916795449301
Energy: 0.5831429988980286
Energy: 0.5804892245329737
Energy: 0.5806842005664965
Energy: 0.5791938674201592
Energy: 0.623048575179761
Energy: 0.6022687844614507
Energy: 0.5806397304303782
Energy: 0.5825608844292137
Energy: 0.5782426481557245
Energy: 0.6041263082414342
Energy: 0.5823159471845163
Energy: 0.5744095610137733
Energy: 0.5999804946049107
Energy: 0.6028549062481725
Energy: 0.5838032522587374
Energy: 0.5838818892961932
Energy: 0.5768211900311327
Energy: 0.5996042293391785
Energy: 0.5722623188548132
Energy: 0.6225599735779733
Energy: 0.5818046631466159
Energy: 0.5694643737699149
Energy: 0.5829280073754102
Energy: 0.5777873268052666
Energy: 0.6025550167303209
Energy: 0.570699743308669
Energy: 0.5695111266472996
Energy: 0.5851030954490936
Energy: 0.6100912441557105
Energy: 0.6025497533705376
Energy: 0.5705093151377728
Energy: 0.6197560044204875
Energy: 0.579441158399651
Energy: 0.5769876483348348
Energy: 0.5860656247675723
Energy: 0.6000546193293042
Energy: 0.6059654080621452
Energy: 0.5791131334600453
Energy: 0.5780484939009979
Energy: 0.5871592490241568
Energy: 0.6008310472869471
Energy: 0.5860322980863262
Energy: 0.5829694694904992
Energy: 0.5805870646918435
Energy: 0.6021677382200566
Energy: 0.6054598213552185
Energy: 0.5859770186826762
Energy: 0.5868317376745945
Energy: 0.5804305899675516
Energy: 0.5836334907896199
Energy: 0.5863423066624985
Energy: 0.5903696687856456
Energy: 0.5737260936498481
Energy: 0.5703149013685032
Energy: 0.585587104795711
Energy: 0.5824012986009044
Energy: 0.5917770529004259
Energy: 0.5725682090728372
Energy: 0.5702376810627748
Energy: 0.5851815002913286
Energy: 0.6192825198903544
Energy: 0.6025990855325583
Energy: 0.5727243872835357
Energy: 0.5712665553745112
Energy: 0.6094088569025208
Energy: 0.5835714607342253
Energy: 0.5866352461014602
Energy: 0.5705416924180166
Energy: 0.5710222609985647
Energy: 0.5847371786796971
Energy: 0.5843281767957634
Energy: 0.586241443964935
Energy: 0.5799614530215775
Energy: 0.5838570230384524
Energy: 0.5791483231569875
Energy: 0.5772304508497332
Energy: 0.5846159605309981
Energy: 0.5832100686339483
Energy: 0.6018842782168609
Energy: 0.5798772585225368
Energy: 0.5770348848999054
Energy: 0.6172106188915156
Energy: 0.5684972568149111
Energy: 0.5853405908371655
Energy: 0.5801417856599018
Energy: 0.6138885320297796
Energy: 0.5835599938034344
Energy: 0.567593991539455
Energy: 0.5851087728314023
Energy: 0.5815241146600809
Energy: 0.5867433257713293
Energy: 0.6006508560702029
Energy: 0.6192509860933791
Energy: 0.5857164785262692
Energy: 0.5713237971672172
Energy: 0.5706554039705415
Energy: 0.6012955747748817
Energy: 0.5794399245278979
Energy: 0.5842643139511507
Energy: 0.5726475473666768
Energy: 0.5708472670945713
Energy: 0.5798729569357081
Energy: 0.577984835791666
Energy: 0.5857828783186501
Energy: 0.5704179217826095
Energy: 0.5827815766695406
Energy: 0.5797226924309191
Energy: 0.5854795828014621
Energy: 0.5852412262330371
Energy: 0.5709460109370894
Energy: 0.5870679237208685
Energy: 0.5800994353097534
Energy: 0.5810076607946444
Energy: 0.5789633543402364
Energy: 0.6068960113502176
Energy: 0.6031784625678069
Energy: 0.5812671993146977
Energy: 0.5824125452107494
Energy: 0.5796865802087575
Energy: 0.6019667553314675
Energy: 0.5806384430894904
Energy: 0.5752112303230322
Energy: 0.584825938102688
Energy: 0.6029274567885433
Energy: 0.5825080996974331
Energy: 0.5831603983295749
Energy: 0.5760871554038367
Energy: 0.5848508858262895
Energy: 0.5714677880265443
Energy: 0.5838437578412087
Energy: 0.6061750324806571

minimum gb energy = 0.567593991539455 eV
minimum distance =  2.68682156443937 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.926047752150445
Energy: 0.6068991691101272
Energy: 0.6161734010928955
Energy: 0.5930531737633761
Energy: 0.6047772167437397
Energy: 0.5927017959864533
Energy: 0.637821830935301
Energy: 0.6185589826569063
Energy: 0.6503826519921447
Energy: 0.6271366050854347
Energy: 0.576640508894782
Energy: 0.6356106086391523
Energy: 0.5985506817164298
Energy: 0.6000630847191004
Energy: 0.620594068224455
Energy: 0.580473322523938
Energy: 0.6402067206189022
Energy: 0.5994672198002668
Energy: 0.6401390435866511
Energy: 0.6041064391034604
Energy: 0.6488258372622806
Energy: 0.6297675164336494
Energy: 0.6393402814560825
Energy: 0.6126207914552179
Energy: 0.6205730404608656
Energy: 0.6245870561740116
Energy: 0.6300496564284469
Energy: 0.6429539630548416
Energy: 0.6038023407450672
Energy: 0.6644000982418888
Energy: 0.6071496997210698
Energy: 0.5839204650118
Energy: 0.5942690761241773
Energy: 0.6502281178444873
Energy: 0.6652709315799152
Energy: 0.6100486089181779
Energy: 0.610802951906512
Energy: 0.5927032090922019
Energy: 0.6489773256669902
Energy: 0.6666376096154624
Energy: 0.6579371669391367
Energy: 0.6292975202363174
Energy: 0.6077712379273303
Energy: 0.615285251392745
Energy: 0.6615699663132883
Energy: 0.6501874429610547
Energy: 0.5964546977485133
Energy: 0.6125922933084313
Energy: 0.6147168854549842
Energy: 0.6109873937498671
Energy: 0.6114381645585039
Energy: 0.5878070157418105
Energy: 0.5877848542853488
Energy: 0.649107502213432
Energy: 0.6144513194406301
Energy: 0.6089666115395521
Energy: 0.5874411166114548
Energy: 0.5877435184544498
Energy: 0.6524499166460983
Energy: 0.7412024808314521
Energy: 0.5912650655032711
Energy: 0.588675265064788
Energy: 0.593892477198262
Energy: 0.5877296567130106
Energy: 0.6331610899708512
Energy: 0.5920689375771814
Energy: 0.5859681361768956
Energy: 0.5950058687031188
Energy: 0.5905933315269142
Energy: 0.6132174470053903
Energy: 0.5920317571140882
Energy: 0.5895323118367595
Energy: 0.5877907295714557
Energy: 0.6059897852198619
Energy: 0.6419814487548502
Energy: 0.5924217663864783
Energy: 0.5865467188464858
Energy: 0.5910564683169818
Energy: 0.5998916071997656
Energy: 0.6371486078567806
Energy: 0.6040677453859801
Energy: 0.7174389432817966
Energy: 0.621134812992811
Energy: 0.6491467674800101
Energy: 0.5908638335243672
Energy: 0.6032473136896126
Energy: 0.714613609148572
Energy: 0.6230900196100975
Energy: 0.7041317686857499
Energy: 0.5909096111771422
Energy: 0.6274261434082856
Energy: 0.6000262588793669
Energy: 0.5914443613513999
Energy: 0.5900666472128271
Energy: 0.5955736848720575
Energy: 0.6018367249916896
Energy: 0.599724448885853
Energy: 0.5912491645519841
Energy: 0.5913344482203955
Energy: 0.5955639961940933
Energy: 0.5909916197469558
Energy: 0.6148745482425457
Energy: 0.6007747107438011
Energy: 0.5927996849116827
Energy: 0.5938575900416678
Energy: 0.6306887800465254
Energy: 0.6139473724069276
Energy: 0.6000369325256006
Energy: 0.593199275104857
Energy: 0.5944707638223197
Energy: 0.6714546108273688
Energy: 0.6392694465468057
Energy: 0.5926228652696874
Energy: 0.5826838248524034
Energy: 0.6438991660649455
Energy: 0.6668002922383707
Energy: 0.6422305698786617
Energy: 0.5972811772558255
Energy: 0.5848740407029593
Energy: 0.6399105092308018
Energy: 0.6340111677408191
Energy: 0.6341429301495577
Energy: 0.6596881899034454
Energy: 0.5910196108582201
Energy: 0.6245467104967545
Energy: 0.6344968516942918
Energy: 0.636624773024831
Energy: 0.6592720518786679
Energy: 0.5908289509763238
Energy: 0.6512085441952342
Energy: 0.6070788110710307
Energy: 0.6412620528171489
Energy: 0.5831628893036114
Energy: 0.6438448520687935
Energy: 0.6122964996406381
Energy: 0.6071030712846406
Energy: 0.6439570410113763
Energy: 0.570178175216118
Energy: 0.6476589523450944
Energy: 0.6118226101315691
Energy: 0.5979924649164322
Energy: 0.6106056470073747
Energy: 0.6600170002233712
Energy: 0.6356862795078478
Energy: 0.6367364803773262
Energy: 0.5972977011386078
Energy: 0.6107577736374815
Energy: 0.6591419768320602
Energy: 0.6330906852446953
Energy: 0.6309648934741249
Energy: 0.6404996045930881
Energy: 0.6574844167550797
Energy: 0.5946364629772216
Energy: 0.6144001069613314
Energy: 0.6251833220519138
Energy: 0.6393863172842936
Energy: 0.6595512658107582
Energy: 0.6121795238207393
Energy: 0.6148669678551785
Energy: 0.6251695489709944
Energy: 0.6127852598141148
Energy: 0.5919574837157807
Energy: 0.6811174975086065
Energy: 0.6071579742651427
Energy: 0.654617813539394
Energy: 0.6121497302974843
Energy: 0.6343984624985368
Energy: 0.7040039124281197
Energy: 0.587720444931404
Energy: 0.5924837650182802
Energy: 0.5871420964743042
Energy: 0.708462340006636
Energy: 0.7167572728248097
Energy: 0.5932797214443053
Energy: 0.5947106023069402
Energy: 0.5870590876134982
Energy: 0.7096323706648535
Energy: 0.715726970901808
Energy: 0.5921467629429447
Energy: 0.5948113554900567
Energy: 0.5877483950810383
Energy: 0.646432606121917
Energy: 0.5928423146114497
Energy: 0.5903195072752652
Energy: 0.5875704069650114
Energy: 0.5881938184111983
Energy: 0.6590591342638862
Energy: 0.5929153437908247
Energy: 0.5901896260809372
Energy: 0.5890743620918946
Energy: 0.6014849246275464
Energy: 0.6534525414344291
Energy: 0.5952328970721207
Energy: 0.5912898041443808
Energy: 0.5872424544829749
Energy: 0.6015718005075426
Energy: 0.6510886586168947
Energy: 0.5952641105498447
Energy: 0.5912836163187406
Energy: 0.5875934360228947
Energy: 0.6412337125727158
Energy: 0.5942202912197168
Energy: 0.6046677474759192
Energy: 0.5996921585689831
Energy: 0.6025915087533573
Energy: 0.608011549520845
Energy: 0.5870593532207259
Energy: 0.5896518328682353
Energy: 0.5982874597168155
Energy: 0.6011600613935638
Energy: 0.5910130478588064
Energy: 0.593595750435069
Energy: 0.5971696776962043
Energy: 0.7144979054120436
Energy: 0.6078782859811864
Energy: 0.5906804968505561
Energy: 0.5944368686909124
Energy: 0.5992084827271073
Energy: 0.7180187969852696
Energy: 0.6110159750215535
Energy: 0.5933097900830965
Energy: 0.593642062741541
Energy: 0.586847076625875
Energy: 0.5887067281995443
Energy: 0.5913152928013665
Energy: 0.5921349941322545
Energy: 0.5941056966776416
Energy: 0.5868470657197999
Energy: 0.5994321530865153
Energy: 0.5914878596142429
Energy: 0.5887465725610116
Energy: 0.6046314174283691
Energy: 0.6609752230548037
Energy: 0.660055353101767
Energy: 0.6275560772426384
Energy: 0.5902649629885182
Energy: 0.6080308591953312
Energy: 0.6623552534572504
Energy: 0.6394862661580061
Energy: 0.6041262720361233
Energy: 0.5974708211381463
Energy: 0.639675830628155
Energy: 0.6386886577174153
Energy: 0.636399955631749
Energy: 0.591023193310123
Energy: 0.5948185133399985
Energy: 0.6493490601441159
Energy: 0.6180915214249939
Energy: 0.633035064758916
Energy: 0.6609315943697828
Energy: 0.6251238873370958
Energy: 0.6328362696787933
Energy: 0.6002497253270472
Energy: 0.6352512875108477
Energy: 0.6419920950135352
Energy: 0.6291727322612465
Energy: 0.592537243145668
Energy: 0.6006452513198577
Energy: 0.6344361365936008
Energy: 0.6461893604687532
Energy: 0.6258946714948261
Energy: 0.6315576475805588
Energy: 0.6386557559477518
Energy: 0.6111677378755184
Energy: 0.6241788156569773
Energy: 0.628655660046123
Energy: 0.6370274138053517
Energy: 0.6446861239714267
Energy: 0.6106388337925365
Energy: 0.6655474570258383
Energy: 0.6119744175548236
Energy: 0.641211311085212
Energy: 0.6270130215635993
Energy: 0.652316697459685
Energy: 0.6637418122849498
Energy: 0.6124703144594251
Energy: 0.6403234922086143
Energy: 0.6324115631278587
Energy: 0.6530556154214763
Energy: 0.6750604673667799
Energy: 0.6678995177871291
Energy: 0.628801565891266
Energy: 0.6760776906107756
Energy: 0.6105936728793433
Energy: 0.6196179267276621
Energy: 0.6665208462508068
Energy: 0.6525238160362032
Energy: 0.6905188214358665
Energy: 0.6108350590580798
Energy: 0.6187844154137478
Energy: 0.6264433998498451
Energy: 0.589270449628912
Energy: 0.5881635062273025
Energy: 0.6311124512434322
Energy: 0.7178495928381925
Energy: 0.6962135932349706
Energy: 0.5876644622843207
Energy: 0.5881692110196031
Energy: 0.6519963588487974
Energy: 0.7412174616024734
Energy: 0.5869342335142378
Energy: 0.5898465512856657
Energy: 0.5903619251990538
Energy: 0.5875179647204472
Energy: 0.6347229479807702
Energy: 0.5884049066645786
Energy: 0.5887490807229522
Energy: 0.5905839390137332
Energy: 0.5883750414904456
Energy: 0.6310289169893196
Energy: 0.5928091351775231
Energy: 0.587648955450145
Energy: 0.587802123115346
Energy: 0.5834416459756436
Energy: 0.6400242609998904
Energy: 0.5925542429615839
Energy: 0.5869897133975421
Energy: 0.5880670412443552
Energy: 0.5966897763339357
Energy: 0.6409797375877595
Energy: 0.5937016802514383
Energy: 0.6006840160450774
Energy: 0.6353772068795235
Energy: 0.649436085286214
Energy: 0.5904774949219246
Energy: 0.6070943087561341
Energy: 0.6012262595212126
Energy: 0.6209437326055479
Energy: 0.650002722900214
Energy: 0.5909848595731886
Energy: 0.6039784970163984
Energy: 0.5776377207731799
Energy: 0.6040869578683875
Energy: 0.5909256420115098
Energy: 0.5963247236009769
Energy: 0.602395275844801
Energy: 0.606358983601524
Energy: 0.5931200196900778
Energy: 0.5916335783125488
Energy: 0.5961326061726816
Energy: 0.6194681520838686
Energy: 0.6027731344581606
Energy: 0.6001040523609192
Energy: 0.5901667313159908
Energy: 0.5944161078172607
Energy: 0.6334575787235609
Energy: 0.6182476222630104
Energy: 0.5986585532274293
Energy: 0.5929139257507613
Energy: 0.5949201675037066
Energy: 0.6712928704892251
Energy: 0.6346842758270362
Energy: 0.5983951910662177
Energy: 0.5830960448217601
Energy: 0.6725260614046411
Energy: 0.6694205842918645
Energy: 0.6390556783418707
Energy: 0.5992624181087316
Energy: 0.5821950731021925
Energy: 0.6712805206122537
Energy: 0.6335490890211127
Energy: 0.585443253716326
Energy: 0.5698423982304952
Energy: 0.5904527187397071
Energy: 0.6453402444216114
Energy: 0.6290618362953904
Energy: 0.585815687983655
Energy: 0.5700069470713972
Energy: 0.5905214353794666
Energy: 0.6468472865720735
Energy: 0.606161069324113
Energy: 0.6392480822728613
Energy: 0.6356873485466346
Energy: 0.6051653227856246
Energy: 0.6021351534246915
Energy: 0.6018466491622575
Energy: 0.6414169988231586
Energy: 0.5889898753121678
Energy: 0.6042459480506036
Energy: 0.6067484278561911
Energy: 0.6503943332592611
Energy: 0.6114454112493112
Energy: 0.6598921661949525
Energy: 0.6333316979622878
Energy: 0.6350144691998667
Energy: 0.6119402137712499
Energy: 0.6109450454004106
Energy: 0.6579302918122458
Energy: 0.6316001725069569
Energy: 0.6372785057459156
Energy: 0.6564680248178679
Energy: 0.6617946449921055
Energy: 0.6651316285646589
Energy: 0.6536994164309383
Energy: 0.6179755108911225
Energy: 0.6342811935070828
Energy: 0.6625148038043445
Energy: 0.6661830744123487
Energy: 0.6514149206212113
Energy: 0.5887746014335654
Energy: 0.6182874283736863
Energy: 0.6382466167127537
Energy: 0.5843459724961607
Energy: 0.6239853439104415
Energy: 0.6526087913018792
Energy: 0.6104039840722347
Energy: 0.6310517878258485
Energy: 0.5844386803935191
Energy: 0.6430904858632096
Energy: 0.8317510853219472
Energy: 0.6104764973112241
Energy: 0.6993669103586488
Energy: 0.7126126664729492
Energy: 0.6402289291588233
Energy: 0.5936548446726645
Energy: 0.6347701606885009
Energy: 0.7135725390526673
Energy: 0.7113736304226329
Energy: 0.6402148317035428
Energy: 0.5929754359819929
Energy: 0.5877320555082125
Energy: 0.6422966950611082
Energy: 0.5919942541434704
Energy: 0.5890617935274742
Energy: 0.5881765911222208
Energy: 0.588982208567686
Energy: 0.6570539812491201
Energy: 0.5923123265357825
Energy: 0.589494315016101
Energy: 0.5904142126767148
Energy: 0.6031472500693182
Energy: 0.6501513835925606
Energy: 0.5929794656035443
Energy: 0.5906135373873596
Energy: 0.5862175656647479
Energy: 0.5803697056487409
Energy: 0.6495651931150959
Energy: 0.5948862787211021
Energy: 0.5907175587664778
Energy: 0.5868624124062017
Energy: 0.5966037733483417
Energy: 0.594828677911289
Energy: 0.5893402583185373
Energy: 0.5999658778951107
Energy: 0.6292389639980918
Energy: 0.5914917063047707
Energy: 0.6068265869655409
Energy: 0.5886314566579014
Energy: 0.5999397185344884
Energy: 0.6272727843815186
Energy: 0.5879808426949934
Energy: 0.591212308927614
Energy: 0.5936749269234978
Energy: 0.713314324099251
Energy: 0.6102970204340072
Energy: 0.5900060846780777
Energy: 0.5943422450662201
Energy: 0.5998332655958295
Energy: 0.7167257571801231
Energy: 0.6095462773787996
Energy: 0.5881783644163124
Energy: 0.5893924119488468
Energy: 0.5935721878859493
Energy: 0.6413454056588244
Energy: 0.5905438090955587
Energy: 0.5878778553354288
Energy: 0.5926561859838125
Energy: 0.5949147619556809
Energy: 0.5964417194368149
Energy: 0.5895088930998147
Energy: 0.589624963120377
Energy: 0.5859617490203132
Energy: 0.6626921756096246
Energy: 0.6598869160308871
Energy: 0.5890344967073762
Energy: 0.5915155781021969
Energy: 0.5947697911099278
Energy: 0.6633707125275484
Energy: 0.6405531879962736
Energy: 0.5888591768038137
Energy: 0.600639325558533
Energy: 0.6471511147068694
Energy: 0.6431175168303304
Energy: 0.6082393710123559
Energy: 0.5707366505314411
Energy: 0.5976265759214298
Energy: 0.651737863305434
Energy: 0.6550455572836257
Energy: 0.6159643896825269
Energy: 0.5800044615725646

minimum gb energy = 0.5698423982304952 eV
minimum distance =  2.66026759633444 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7847950187314905
Energy: 0.5935779026739935
Energy: 0.602300183000633
Energy: 0.6243301247120678
Energy: 0.5963483288444776
Energy: 0.5881092328903296
Energy: 0.622155763398129
Energy: 0.5979512365072668
Energy: 0.6237087830185372
Energy: 0.6130866802009708
Energy: 0.594946032674923
Energy: 0.5914030318796114
Energy: 0.5642764677523343
Energy: 0.6449114549248485
Energy: 0.6057368882864894
Energy: 0.590433241561665
Energy: 0.5790058580403025
Energy: 0.5641578137703247
Energy: 0.6175761081257581
Energy: 0.5607962410403959
Energy: 0.5944042156429431
Energy: 0.5984664000627263
Energy: 0.6164274931327376
Energy: 0.5596572742560343
Energy: 0.5647430078214476
Energy: 0.5933376921503393
Energy: 0.5998762704000716
Energy: 0.6168306985905961
Energy: 0.5590228473320857
Energy: 0.6079407560747435
Energy: 0.5589000126831538
Energy: 0.559517483956284
Energy: 0.6158203417211823
Energy: 0.5811566294887945
Energy: 0.6070070416765535
Energy: 0.5591990635005546
Energy: 0.5599955539352361
Energy: 0.6147023531807912
Energy: 0.5832682953693296
Energy: 0.6076946892531826
Energy: 0.5824150486083544
Energy: 0.6157334791706802
Energy: 0.5551014540005285
Energy: 0.5582449185642032
Energy: 0.5888750761454745
Energy: 0.5719089680309734
Energy: 0.617511777189269
Energy: 0.5545930749475375
Energy: 0.5587640741536679
Energy: 0.5873749437934169
Energy: 0.5594826405465166
Energy: 0.5591311417625299
Energy: 0.5554012419563215
Energy: 0.5787472467277516
Energy: 0.5870604590604892
Energy: 0.5555230257594871
Energy: 0.5594808787094127
Energy: 0.6043384173544761
Energy: 0.5793455360953007
Energy: 0.7827677791460566
Energy: 0.5949829965977902
Energy: 0.592892448847797
Energy: 0.5981852084777411
Energy: 0.5612316887595221
Energy: 0.6066657165233419
Energy: 0.5943624104424243
Energy: 0.5939873756439639
Energy: 0.5970487917096089
Energy: 0.562457152648936
Energy: 0.5944294517155297
Energy: 0.5967687215077592
Energy: 0.569444128291553
Energy: 0.559530794188351
Energy: 0.55783163366452
Energy: 0.6119062834191107
Energy: 0.595821243291796
Energy: 0.6029773953899901
Energy: 0.5593019589380187
Energy: 0.5632754519065443
Energy: 0.6460486874392902
Energy: 0.5557186959620843
Energy: 0.6157385775256549
Energy: 0.5810914163271753
Energy: 0.6171720277822396
Energy: 0.5959980504097537
Energy: 0.5562975312974544
Energy: 0.617319833228509
Energy: 0.5866445995543077
Energy: 0.6174784722331051
Energy: 0.5954709005430511
Energy: 0.5831047672316012
Energy: 0.5892222635043942
Energy: 0.5558110940321532
Energy: 0.591446226664827
Energy: 0.5926850642481629
Energy: 0.5856901283256702
Energy: 0.5902632518335494
Energy: 0.5555160492672616
Energy: 0.5918714626266782
Energy: 0.5889677956631824
Energy: 0.555726384446841
Energy: 0.5563591374803935
Energy: 0.558376259591042
Energy: 0.5815210295882531
Energy: 0.5507079610785435
Energy: 0.5560401959818665
Energy: 0.555445811912341
Energy: 0.5584948615117883
Energy: 0.5818419409417056
Energy: 0.5551869752803591
Energy: 0.5553155022812329
Energy: 0.5554797087274161
Energy: 0.562137484156737
Energy: 0.6202211766770319
Energy: 0.5570213040106344
Energy: 0.5546514074234329
Energy: 0.5555598971264963
Energy: 0.5593561917641463
Energy: 0.582459457735801
Energy: 0.5564447372586447
Energy: 0.5560411041002574
Energy: 0.5550580592601383
Energy: 0.6141733380331392
Energy: 0.5784774887569684
Energy: 0.5569962335800015
Energy: 0.5550410706434564
Energy: 0.5557758605203141
Energy: 0.5703583931217406
Energy: 0.5884513889046206
Energy: 0.5559565921271571
Energy: 0.656316332349173
Energy: 0.5587058014513094
Energy: 0.5864165257889008
Energy: 0.5953926919852324
Energy: 0.5522695682815583
Energy: 0.6532801970103592
Energy: 0.55818564552079
Energy: 0.670997594296771
Energy: 0.594718052661338
Energy: 0.5542484397371075

minimum gb energy = 0.5507079610785435 eV
minimum distance =  2.7308885692916 Angstroms
sigma value = 33