Model name: model_name=EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.050000011920929
cohesive_energy=3.3541843831092124
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7750354710422598e-19, 2.4212734163661596e-19, 2.8961105053847395e-19, 3.27399988627998e-19, 3.58636024284462e-19, 3.85036690859514e-19, 4.0767064016803197e-19, 4.27254045165414e-19, 4.4429960237454e-19, 4.591870276576679e-19, 4.72206314985552e-19, 4.83588177793488e-19, 4.9351846857102e-19, 5.0214618974511e-19, 5.09601117623112e-19, 5.15987393686236e-19, 5.2139634200262e-19, 5.2590646922733e-19, 5.29585066778994e-19, 5.3249141519307e-19, 5.34676784121846e-19, 5.361908410409759e-19, 5.37072038189676e-19, 5.37357225630528e-19, 5.37051209893434e-19, 5.3606426908689e-19, 5.342810464932479e-19, 5.3156215274535e-19, 5.27745768003162e-19, 5.226364267173359e-19, 5.15998608922674e-19, 5.075519337082259e-19, 4.96951933097682e-19, 4.83783643342836e-19, 4.67529561390906e-19, 4.475568274714619e-19, 4.2306915979740597e-19, 3.9306840232575593e-19, 3.5628082463248202e-19, 3.11072206550904e-19, 2.5530684662789996e-19, 1.8617292487079999e-19, 9.989603356522679e-20, -8.674536775335479e-21, -1.4671371764033098e-19, -3.2444237056163397e-19, -5.56839693499968e-19, -8.665468455587039e-19, -1.2891417610724459e-18, -1.88323045913628e-18, -2.7511936288394402e-18, -4.08585483026046e-18, -6.290866444569299e-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: -0.00607941459516994 eV

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

Energy: 0.010306104680724779
Energy: 0.16838332098104153
Energy: 0.01087923408888982
Energy: 0.011895693430065087
Energy: 0.16810305339254925
Energy: 0.010766206323963431
Energy: 0.16838332098079167
Energy: 0.04975290182570873
Energy: 0.04978304294776367
Energy: 0.04973589483112259
Energy: 0.049653845998959965
Energy: 0.049793397225336086
Energy: 0.01087923408888982
Energy: 0.04978304294776367
Energy: 0.05008091193276959
Energy: 0.010869938950959225
Energy: 0.04963127374267752
Energy: 0.050370003367497855
Energy: 0.011895693430065087
Energy: 0.04973589483090049
Energy: 0.010869938950487271
Energy: 0.010522577312499733
Energy: 0.04962257454122143
Energy: 0.010686281911132656
Energy: 0.1681030533935209
Energy: 0.04965384599920982
Energy: 0.04963127374245541
Energy: 0.049622574541471294
Energy: 0.04969254586104333
Energy: 0.049691309341201445
Energy: 0.010766206324435385
Energy: 0.049793397225336086
Energy: 0.050370003367248
Energy: 0.01068628191091056
Energy: 0.04969130934095158
Energy: 0.010859157138478343

minimum gb energy = 0.010306104680724779 eV
minimum distance =  2.85424235964987 Angstroms
sigma value = 1


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

Energy: 0.5926709238203646
Energy: 0.42611075482168376
Energy: 0.4444379294525081
Energy: 0.43818928476969243
Energy: 0.42596679605564813
Energy: 0.4406113285263998
Energy: 0.558567454810024
Energy: 0.42424419247831874
Energy: 0.4241664877134997
Energy: 0.41788918970537703
Energy: 0.424362183552746
Energy: 0.4243192746961255
Energy: 0.5936039592786075
Energy: 0.4232608066273056
Energy: 0.41334365510281734
Energy: 0.3961516636957639
Energy: 0.4287045854116523
Energy: 0.39813708476857707
Energy: 0.5930094316083586
Energy: 0.42321414489682524
Energy: 0.4205605009816076
Energy: 0.395945269199735
Energy: 0.4233213863548324
Energy: 0.420895303131975
Energy: 0.6104046591932305
Energy: 0.42803880853679277
Energy: 0.42873038981632344
Energy: 0.4270293098103255
Energy: 0.4281290588254554
Energy: 0.4280351615619075
Energy: 0.5354841271503095
Energy: 0.4264763735975269
Energy: 0.42749055020674664
Energy: 0.41769615548097627
Energy: 0.4270855705919022
Energy: 0.421611262844468
Energy: 0.5359766843996258
Energy: 0.44649053896833013
Energy: 0.4420856109083431
Energy: 0.417560491200088
Energy: 0.46698220966294285
Energy: 0.41750246393609175
Energy: 0.5172351079236694
Energy: 0.4263276386119944
Energy: 0.431798377355443
Energy: 0.43971376043163063
Energy: 0.4264549477721892
Energy: 0.4169601602534939
Energy: 0.4544761931964182
Energy: 0.4175446004203792
Energy: 0.41941600535819035
Energy: 0.4263214822385261
Energy: 0.4174171793428479
Energy: 0.419885104188753
Energy: 0.4557282379464418
Energy: 0.44866667027848955
Energy: 0.4314397093028858
Energy: 0.4287882398840759
Energy: 0.43944984202571896
Energy: 0.42964606284286777
Energy: 0.5308800142668221
Energy: 0.42089579067418187
Energy: 0.42021434667388197
Energy: 0.5313697513876825
Energy: 0.4205014600899292
Energy: 0.42055631645359465
Energy: 0.4262919842061606
Energy: 0.40406908923827484
Energy: 0.40504595663436177
Energy: 0.4263541157571631
Energy: 0.40613573904205846
Energy: 0.4050974204883779
Energy: 0.42571384535839185
Energy: 0.3987171445767147
Energy: 0.40693860205364407
Energy: 0.4256829959678163
Energy: 0.406771006561779
Energy: 0.4185289878841393
Energy: 0.43328380377323267
Energy: 0.4207238300691929
Energy: 0.4212418298117932
Energy: 0.42586286299019555
Energy: 0.4207839133182111
Energy: 0.42296448971822304
Energy: 0.4316408279049951
Energy: 0.41381892765116873
Energy: 0.42662598061669854
Energy: 0.42751905119287886
Energy: 0.4187135719899406
Energy: 0.42646621408205576
Energy: 0.4299374825958439
Energy: 0.396869202546011
Energy: 0.40337288082157113
Energy: 0.4225761984269329
Energy: 0.39682033621703433
Energy: 0.4036184230294155
Energy: 0.511072795908888
Energy: 0.4166323954646881
Energy: 0.4246645866101762
Energy: 0.44371644463003473
Energy: 0.4169782567434604
Energy: 0.4033342394727358
Energy: 0.4919700740750009
Energy: 0.43885518221586894
Energy: 0.4287376827344606
Energy: 0.4280938484861796
Energy: 0.43760680050406636
Energy: 0.42847034486389934
Energy: 0.4898820427168232
Energy: 0.42919355496472666
Energy: 0.4295242631364377
Energy: 0.42873993709203856
Energy: 0.42871420792171605
Energy: 0.42903611303049766
Energy: 0.5978683335223066
Energy: 0.42968457722041076
Energy: 0.4291778375980962
Energy: 0.46161502367702034
Energy: 0.4285122556601223
Energy: 0.4282630896032992
Energy: 0.5646634982566623
Energy: 0.4225249726860439
Energy: 0.4220176169922276
Energy: 0.4046910444917871
Energy: 0.4796566730402677
Energy: 0.420975582933043
Energy: 0.5614114352352327
Energy: 0.4279360381743203
Energy: 0.41242897958720065
Energy: 0.40452812143764894
Energy: 0.4261485697088473
Energy: 0.39681893004748436
Energy: 0.5807419712237604
Energy: 0.42647341440815545
Energy: 0.42613697699635245
Energy: 0.41847328159674535
Energy: 0.4258576870857219
Energy: 0.4256354845974597

minimum gb energy = 0.395945269199735 eV
minimum distance =  2.56735656706299 Angstroms
sigma value = 33


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

Energy: 0.7027107319409934
Energy: 0.4272457273949369
Energy: 0.42684921131574555
Energy: 0.5446858913148156
Energy: 0.42706172978486273
Energy: 0.46011656974434395
Energy: 0.6426645116191373
Energy: 0.42966078195431684
Energy: 0.4205126523609544
Energy: 0.39550708621791825
Energy: 0.4302037698779413
Energy: 0.40401916297694285
Energy: 0.5747547622834576
Energy: 0.43035124623336296
Energy: 0.4155216211912266
Energy: 0.41326144124812764
Energy: 0.4356333104005483
Energy: 0.4014319964513804
Energy: 0.5754252439152336
Energy: 0.47550692138638107
Energy: 0.47785317732405336
Energy: 0.412928083786645
Energy: 0.48340494282208446
Energy: 0.4346556008984001
Energy: 0.5774378937854662
Energy: 0.48354349252816775
Energy: 0.4341789955232973
Energy: 0.39107427306831766
Energy: 0.43180452932735597
Energy: 0.48158382054057275
Energy: 0.5783338406480936
Energy: 0.4696591617625749
Energy: 0.4760620748604381
Energy: 0.44567444240184606
Energy: 0.46789010414746823
Energy: 0.4492288106647609
Energy: 0.5805783956067644
Energy: 0.4831413555874093
Energy: 0.46143738000381185
Energy: 0.46084045416110725
Energy: 0.5052470899333411
Energy: 0.463482548489487
Energy: 0.5518335879039274
Energy: 0.43879084619842307
Energy: 0.4419842504334057
Energy: 0.48441309968583957
Energy: 0.4387696964181594
Energy: 0.4405281017724649
Energy: 0.5106838382100239
Energy: 0.43956911195490805
Energy: 0.4664080366364808
Energy: 0.48873273044273213
Energy: 0.4392768268963401
Energy: 0.46556666046920264
Energy: 0.5102057972834331
Energy: 0.4705740629568632
Energy: 0.47272761515200773
Energy: 0.48870113438553286
Energy: 0.4719951012492101
Energy: 0.48741282677628445
Energy: 0.5192390072742054
Energy: 0.40733871248904874
Energy: 0.4073144123273264
Energy: 0.5021204932064844
Energy: 0.40734626940100893
Energy: 0.40763329959343286
Energy: 0.48445365268225155
Energy: 0.3623296645173929
Energy: 0.45016638142383925
Energy: 0.4846824123508168
Energy: 0.362320338092343
Energy: 0.45025290123899625
Energy: 0.4858724363756829
Energy: 0.46208140550043675
Energy: 0.4615915774470273
Energy: 0.4855759178141154
Energy: 0.4792387061696615
Energy: 0.4616804515256903
Energy: 0.5315207520415749
Energy: 0.43519549113087785
Energy: 0.4345910394620845
Energy: 0.4681493883166168
Energy: 0.4349675373912911
Energy: 0.4502765295295318
Energy: 0.4884770430651745
Energy: 0.4760574033324726
Energy: 0.47836284056511175
Energy: 0.48371936177948205
Energy: 0.5180724311714104
Energy: 0.4812461807785292
Energy: 0.4827765470161137
Energy: 0.44669025455991057
Energy: 0.45048779730916
Energy: 0.4704678451078561
Energy: 0.44825976844704907
Energy: 0.4475368915565467
Energy: 0.5340222232909947
Energy: 0.3951093113093554
Energy: 0.45957781872285536
Energy: 0.5015994009168531
Energy: 0.45912976119702154
Energy: 0.3941461849616781
Energy: 0.5101061371618764
Energy: 0.4940203280295784
Energy: 0.46758530166271745
Energy: 0.4388392858952511
Energy: 0.48901422880210904
Energy: 0.44031603365154315
Energy: 0.5127440395229729
Energy: 0.4436953312863647
Energy: 0.4248241739052821
Energy: 0.4390942580047122
Energy: 0.44341806465046196
Energy: 0.41803187033471867
Energy: 0.5549662348177641
Energy: 0.4332239407933928
Energy: 0.43387652147433337
Energy: 0.49320001220141285
Energy: 0.4333974429647306
Energy: 0.42591530077447015
Energy: 0.5956939297079133
Energy: 0.42780392902769343
Energy: 0.43502854536708757
Energy: 0.40047046943024933
Energy: 0.4562741262497443
Energy: 0.40751694307463704
Energy: 0.595770675870961
Energy: 0.4275824971454304
Energy: 0.4037788452029398
Energy: 0.4003907676292089
Energy: 0.4287007122743131
Energy: 0.3946655025191286
Energy: 0.5233709701977909
Energy: 0.4350298772075709
Energy: 0.43094755853347694
Energy: 0.41838420410298016
Energy: 0.4309066302583468
Energy: 0.4172846494984862
Energy: 0.5767676317945272
Energy: 0.45727741637911745
Energy: 0.47650213429247623
Energy: 0.4351671457714841
Energy: 0.47384033805360526
Energy: 0.44785923766818
Energy: 0.52385277700056
Energy: 0.4874799433475834
Energy: 0.4858935564026356
Energy: 0.5139786212746055
Energy: 0.4818393874075283
Energy: 0.41753530445876097
Energy: 0.5785156383882124
Energy: 0.46764176707053745
Energy: 0.44897534087979535
Energy: 0.44785542168165976
Energy: 0.46947760960524143
Energy: 0.44691721489132324
Energy: 0.5803542226846522
Energy: 0.4840342962363258
Energy: 0.4854095213170287
Energy: 0.46694746797303877
Energy: 0.47044038393874366
Energy: 0.46561226767919217
Energy: 0.547241276241682
Energy: 0.43901173847448577
Energy: 0.44077101919313016
Energy: 0.48500752614150305
Energy: 0.4389573878839502
Energy: 0.4705602323442077
Energy: 0.5111352087295563
Energy: 0.43914885603344195
Energy: 0.44085391881910885
Energy: 0.4892588061103473
Energy: 0.439147455631811
Energy: 0.4650869493809694
Energy: 0.5111188315506964
Energy: 0.47925073961480463
Energy: 0.47346224917838475
Energy: 0.4877006023224787
Energy: 0.4805067859379431
Energy: 0.4730458977363599
Energy: 0.5108775688214333
Energy: 0.36226845306844163
Energy: 0.3621962554323237
Energy: 0.4801135836719899
Energy: 0.36228106185030506
Energy: 0.39769780638545615
Energy: 0.4820765260479859
Energy: 0.3621040314582582
Energy: 0.36229214342128013
Energy: 0.4822862139678075
Energy: 0.36205748390039977
Energy: 0.44990353936103206
Energy: 0.48575286024629033
Energy: 0.46185502102209297
Energy: 0.4617479074445319
Energy: 0.48651116979772346
Energy: 0.47926200808739133
Energy: 0.4707715376413765
Energy: 0.4849476101899131
Energy: 0.43502839166681195
Energy: 0.44910835802484955
Energy: 0.4851542157637141
Energy: 0.4349327246108855
Energy: 0.4497360811057909
Energy: 0.4891670998744406
Energy: 0.46808832538458356
Energy: 0.468220624797822
Energy: 0.48129900459618474
Energy: 0.4957970704078365
Energy: 0.46817519663228896
Energy: 0.4826108313167017
Energy: 0.4478803739029647
Energy: 0.4488460759467948
Energy: 0.4751618063766415
Energy: 0.4470092883589912
Energy: 0.44890909986531136
Energy: 0.48348318660822226
Energy: 0.4806752644228375
Energy: 0.41660781639751804
Energy: 0.47520499051078535
Energy: 0.417216382330003
Energy: 0.4809962560252838
Energy: 0.5125213632863256
Energy: 0.48962878020239164
Energy: 0.479715796591218
Energy: 0.4388455699541404
Energy: 0.49412830610819375
Energy: 0.4648583989556749
Energy: 0.5095775759621723
Energy: 0.4429694244703014
Energy: 0.41640966219184883
Energy: 0.4388417018907812
Energy: 0.44257433196043944
Energy: 0.4405911021908271
Energy: 0.5902243757768701
Energy: 0.43422900784097673
Energy: 0.43432736051159404
Energy: 0.42237292704984053
Energy: 0.43374503138628623
Energy: 0.43483751332069304
Energy: 0.6360328198704716
Energy: 0.42741902546344396
Energy: 0.3746710195468449
Energy: 0.36220465818034925
Energy: 0.4340205108360355
Energy: 0.3998631341425254

minimum gb energy = 0.36205748390039977 eV
minimum distance =  2.61247604202832 Angstroms
sigma value = 51


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

Energy: 0.6150780105964133
Energy: 0.4337799024862389
Energy: 0.4914693919837509
Energy: 0.4034846559949524
Energy: 0.4336438700713411
Energy: 0.40344982876535207
Energy: 0.5311229029700614
Energy: 0.4253917933635756
Energy: 0.4254460518563841
Energy: 0.45879403949975667
Energy: 0.4255637920980051
Energy: 0.42567040625501334
Energy: 0.550361301227913
Energy: 0.4165977809739421
Energy: 0.41185350869789555
Energy: 0.4431917572715953
Energy: 0.42898046515255994
Energy: 0.3804050671528512
Energy: 0.5501527501876005
Energy: 0.40625083543499946
Energy: 0.3804941987419958
Energy: 0.3835982795642499
Energy: 0.42944251831621927
Energy: 0.3932360745240231
Energy: 0.530713721527059
Energy: 0.4249594848943968
Energy: 0.4247057534420562
Energy: 0.40697461370214827
Energy: 0.4242276388471039
Energy: 0.4244936145094319
Energy: 0.48380295326659206
Energy: 0.40689608256168114
Energy: 0.40617143017283863
Energy: 0.42359158763007226
Energy: 0.4239911929182545
Energy: 0.40599725999869174
Energy: 0.48338975221716635
Energy: 0.40758298320346437
Energy: 0.4051961009781396
Energy: 0.4235341735430185
Energy: 0.4056550866397393
Energy: 0.4241206651234858
Energy: 0.48116665263975017
Energy: 0.36338179492895073
Energy: 0.37469192749292135
Energy: 0.47232866081627106
Energy: 0.3631856198906493
Energy: 0.3842254520708738
Energy: 0.42913014194944116
Energy: 0.3632545094203851
Energy: 0.3631302915755222
Energy: 0.4291900637948871
Energy: 0.3631762471968747
Energy: 0.3914647350577767
Energy: 0.42799215811985836
Energy: 0.3861276558477364
Energy: 0.3969163092740933
Energy: 0.427644699955546
Energy: 0.38600333024785116
Energy: 0.4271319259258815
Energy: 0.434240327321465
Energy: 0.4094335466127136
Energy: 0.4097141944931965
Energy: 0.4264026521152329
Energy: 0.39480252702142776
Energy: 0.4095433319655668
Energy: 0.4341339230786182
Energy: 0.38510795701427764
Energy: 0.41146612439633723
Energy: 0.4300914698053101
Energy: 0.3840966113370225
Energy: 0.41100994566812454
Energy: 0.43437769153923184
Energy: 0.3823939749679861
Energy: 0.3817437109855104
Energy: 0.4316759075612386
Energy: 0.3826929904722769
Energy: 0.3925389206664558
Energy: 0.4342270323577729
Energy: 0.3930297934964417
Energy: 0.3928410522467988
Energy: 0.42808807355279116
Energy: 0.39299308930861276
Energy: 0.39313651928351245
Energy: 0.5091531120787789
Energy: 0.4062958378087227
Energy: 0.38283673243413424
Energy: 0.4003394539613797
Energy: 0.4457220116875721
Energy: 0.38257401912280625
Energy: 0.5091786638512928
Energy: 0.4095264742920099
Energy: 0.38185384776190917
Energy: 0.4004561342937146
Energy: 0.4290258759307064
Energy: 0.3999884960674678
Energy: 0.5663916439244405
Energy: 0.43355313009468815
Energy: 0.42975284559450067
Energy: 0.3821364423285013
Energy: 0.4336017816563362
Energy: 0.4083153637879827
Energy: 0.5878308035052631
Energy: 0.4119506071978935
Energy: 0.39387279555702603
Energy: 0.362906604500717
Energy: 0.41099548076387943
Energy: 0.3939739185114269

minimum gb energy = 0.362906604500717 eV
minimum distance =  2.69315956307593 Angstroms
sigma value = 19


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

Energy: 0.5142107630610123
Energy: 0.39187428877958735
Energy: 0.3350025512870854
Energy: 0.46014728868746246
Energy: 0.3917656932477875
Energy: 0.45956004933272454
Energy: 0.5337149083856039
Energy: 0.3914193893365407
Energy: 0.3916965431106472
Energy: 0.3230563067000897
Energy: 0.39155949282272245
Energy: 0.3592216627853476
Energy: 0.5331477370872109
Energy: 0.3919439813186845
Energy: 0.3916957747602273
Energy: 0.3229921645802866
Energy: 0.39188657067570376
Energy: 0.3916874418513899
Energy: 0.44386015812903445
Energy: 0.3917222150238553
Energy: 0.39191723948183865
Energy: 0.3701890853603724
Energy: 0.3917908551292746
Energy: 0.3598427912569553
Energy: 0.5332642400063995
Energy: 0.3715394445476851
Energy: 0.3727181915665942
Energy: 0.371612155879856
Energy: 0.37157611261156026
Energy: 0.4052909818816595
Energy: 0.445789458786363
Energy: 0.3486014631387271
Energy: 0.3347211515459933
Energy: 0.37149545772493037
Energy: 0.3800940462586461
Energy: 0.3714504869057226
Energy: 0.44492139210481657
Energy: 0.37181858513328575
Energy: 0.37173568761101994
Energy: 0.3715231148263805
Energy: 0.3341753959321266
Energy: 0.37234477612715267
Energy: 0.4483886567007987
Energy: 0.31084679440005086
Energy: 0.3108286570839898
Energy: 0.44908906795869974
Energy: 0.31080003988720256
Energy: 0.31088237755984527
Energy: 0.39132519271057764
Energy: 0.31051720063763805
Energy: 0.310556424143343
Energy: 0.39132764861147
Energy: 0.3105166360592665
Energy: 0.31056505277207447
Energy: 0.392551360685103
Energy: 0.35973158419001744
Energy: 0.39163863712546193
Energy: 0.3918652074498374
Energy: 0.3229067293862209
Energy: 0.3914155300765295
Energy: 0.3918083958228317
Energy: 0.42452143803660036
Energy: 0.33293063735695877
Energy: 0.3917022802852956
Energy: 0.3703564636171317
Energy: 0.35961165829996955
Energy: 0.4450204410175296
Energy: 0.3720003733079435
Energy: 0.37176893942109945
Energy: 0.37175500646441484
Energy: 0.3720304207149007
Energy: 0.3592915689008022
Energy: 0.37986509086031306
Energy: 0.3724654114654273
Energy: 0.33521791524296807
Energy: 0.38120829505476683
Energy: 0.371926291862918
Energy: 0.33432567088554777
Energy: 0.44487751230192607
Energy: 0.37194094380982795
Energy: 0.37227574236252625
Energy: 0.37174129618107327
Energy: 0.37156582781053976
Energy: 0.37249274725305237
Energy: 0.5044066795384256
Energy: 0.35921661010929473
Energy: 0.35927194788483496
Energy: 0.31073099674690985
Energy: 0.3592916664801384
Energy: 0.31067311962466343
Energy: 0.505851927068516
Energy: 0.3593854857854578
Energy: 0.31094637398644515
Energy: 0.31112460876548204
Energy: 0.39148292538489154
Energy: 0.3110095299310623
Energy: 0.5333733605234996
Energy: 0.39153410067386013
Energy: 0.3913905582447937
Energy: 0.3227658947590287
Energy: 0.39300634360777276
Energy: 0.39214249359900133
Energy: 0.4447228944318864
Energy: 0.39179948346143734
Energy: 0.39188950583921384
Energy: 0.3700971969198671
Energy: 0.39185919500553407
Energy: 0.3920941161211469
Energy: 0.4467424182347147
Energy: 0.39187277283066285
Energy: 0.3919478422512938
Energy: 0.3701113862402531
Energy: 0.3919178314512697
Energy: 0.39207025249401184
Energy: 0.44524032753532566
Energy: 0.38025269158788055
Energy: 0.37200793147302885
Energy: 0.3716947125935016
Energy: 0.3798565104013771
Energy: 0.3713715007844017
Energy: 0.4453550184745735
Energy: 0.37214470988723014
Energy: 0.3722659009075453
Energy: 0.3716305854559794
Energy: 0.37160999943501904
Energy: 0.37204722015113967
Energy: 0.44478219755805964
Energy: 0.35994186162138453
Energy: 0.37161117835283825
Energy: 0.3716832862504678
Energy: 0.32291222394767505
Energy: 0.37153083813107973
Energy: 0.4486849495640955
Energy: 0.3108111187618274
Energy: 0.3112338265771468
Energy: 0.44873982213253555
Energy: 0.3106994778180583
Energy: 0.33494478171152553
Energy: 0.3914856526787615
Energy: 0.3597339076524226
Energy: 0.3592331890866563
Energy: 0.3915015408689999
Energy: 0.3107145171323778
Energy: 0.359219366495481
Energy: 0.3917707351467554
Energy: 0.3228274599105506
Energy: 0.3916162967128079
Energy: 0.39173105726416396
Energy: 0.3230785422490445
Energy: 0.3916076861840568
Energy: 0.45039599854227713
Energy: 0.37026754586335575
Energy: 0.4104479274463912
Energy: 0.39189824800847173
Energy: 0.37024875643635274
Energy: 0.35943630114554176
Energy: 0.4448082137495929
Energy: 0.3718075017296908
Energy: 0.40507216150720815
Energy: 0.37143212125287794
Energy: 0.3716459792862137
Energy: 0.4046295146170418
Energy: 0.37991338868726476
Energy: 0.37239425229013456
Energy: 0.3721819658323478
Energy: 0.3799266227307998
Energy: 0.37178401329616345
Energy: 0.37125298769162846
Energy: 0.4451035727125497
Energy: 0.3720402923069094
Energy: 0.37262712907698015
Energy: 0.33421212281219703
Energy: 0.37175941438768373
Energy: 0.37169123481654487
Energy: 0.5047719079953288
Energy: 0.3593070558969996
Energy: 0.3107196197043806
Energy: 0.31102397241660273
Energy: 0.3593782673683171
Energy: 0.31082924633187986

minimum gb energy = 0.3105166360592665 eV
minimum distance =  2.72834534808037 Angstroms
sigma value = 27


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

Energy: 0.44566283323684036
Energy: 0.40391904561461256
Energy: 0.5139676182227324
Energy: 0.4227882476190782
Energy: 0.4039117433473738
Energy: 0.5135174891940929
Energy: 0.4461794362240576
Energy: 0.4035397976229882
Energy: 0.4037214654349905
Energy: 0.3568018358397369
Energy: 0.4035854813715698
Energy: 0.403795262035699
Energy: 0.5618961470949361
Energy: 0.4039291996644648
Energy: 0.4038288078744534
Energy: 0.355786176401068
Energy: 0.40381154776651085
Energy: 0.3744476104177993
Energy: 0.5641094412632827
Energy: 0.3740956965151682
Energy: 0.374164400633766
Energy: 0.35516735684876327
Energy: 0.3739000671975723
Energy: 0.373712449512786
Energy: 0.44598622435479807
Energy: 0.30562041620121694
Energy: 0.3575976940458517
Energy: 0.3738286091839503
Energy: 0.3055825999212624
Energy: 0.35679717613097217
Energy: 0.4039252967362897
Energy: 0.30568924475540143
Energy: 0.3059252094416188
Energy: 0.4044401220077145
Energy: 0.3056777770682806
Energy: 0.30582737460415765
Energy: 0.406052365465318
Energy: 0.35799411283166865
Energy: 0.3735625776018049
Energy: 0.4044199203855357
Energy: 0.35601971880293154
Energy: 0.4034115290833851
Energy: 0.40371005622901895
Energy: 0.37372194551608867
Energy: 0.37344870940117403
Energy: 0.40369003312613555
Energy: 0.3731979972584242
Energy: 0.3734235115405962
Energy: 0.409747884954695
Energy: 0.37355402961598577
Energy: 0.386639536070378
Energy: 0.4042020002628614
Energy: 0.3579738287443257
Energy: 0.3871663054933127
Energy: 0.4100632646648635
Energy: 0.3244077077831418
Energy: 0.32318001582496414
Energy: 0.35645755414585334
Energy: 0.3235662865952844
Energy: 0.32320122433069515
Energy: 0.40929161232369377
Energy: 0.3968598452087291
Energy: 0.39887951238404096
Energy: 0.3574559593659297
Energy: 0.3961703439401594
Energy: 0.32441904577387587
Energy: 0.4455562567003936
Energy: 0.3562929672214457
Energy: 0.35576251189818786
Energy: 0.3571193015464232
Energy: 0.35645724645394516
Energy: 0.3559801434047888

minimum gb energy = 0.3055825999212624 eV
minimum distance =  2.6433305366047 Angstroms
sigma value = 9


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

Energy: 0.7522806547388795
Energy: 0.353283739977189
Energy: 0.4115293862954724
Energy: 0.41266406389988153
Energy: 0.3531381141527592
Energy: 0.41143502277399097
Energy: 0.3545934505890834
Energy: 0.35330411553037955
Energy: 0.3533970833686456
Energy: 0.3467767593284988
Energy: 0.353326067458756
Energy: 0.3340201226818584
Energy: 0.4506485994857815
Energy: 0.35836677218601637
Energy: 0.33487798616292963
Energy: 0.34467736801672405
Energy: 0.35725878087098173
Energy: 0.3337354623880854
Energy: 0.45010666978252184
Energy: 0.33506695260848435
Energy: 0.33469786879738533
Energy: 0.36136727932983964
Energy: 0.38790479835320907
Energy: 0.3089086442482211
Energy: 0.5176836640577696
Energy: 0.3758017565803007
Energy: 0.38859232153592865
Energy: 0.36888812319400316
Energy: 0.3858657382559248
Energy: 0.3667670623630081
Energy: 0.36890915618824943
Energy: 0.33757033718347107
Energy: 0.3920391622525096
Energy: 0.36907298319403703
Energy: 0.33406253216219917
Energy: 0.3666883048042281
Energy: 0.3690027926947737
Energy: 0.3578639690609053
Energy: 0.36849103914744974
Energy: 0.3692399780711419
Energy: 0.3532925425192256
Energy: 0.3692571352667286
Energy: 0.37316491300338617
Energy: 0.34394185086026013
Energy: 0.3522231755330914
Energy: 0.3732334121188578
Energy: 0.3424263263111506
Energy: 0.37337097200901026
Energy: 0.5240044003345466
Energy: 0.36081216550710865
Energy: 0.3848097725838194
Energy: 0.37519296724289236
Energy: 0.36202771478780277
Energy: 0.36060148654321195
Energy: 0.5195731207231731
Energy: 0.3757539180789762
Energy: 0.37535706142636893
Energy: 0.36853626360793584
Energy: 0.38753308405298403
Energy: 0.32766521053656206
Energy: 0.518584617883798
Energy: 0.3689613355668259
Energy: 0.3689168962530138
Energy: 0.3343009243272463
Energy: 0.3756543193234524
Energy: 0.3969243602714729
Energy: 0.5329833078886651
Energy: 0.3685735361152307
Energy: 0.36878526522722216
Energy: 0.3836099616508385
Energy: 0.3694296025606322
Energy: 0.36831935015688416
Energy: 0.5690518377293964
Energy: 0.3699173375400517
Energy: 0.4009569949573896
Energy: 0.38103384869455603
Energy: 0.369910845934893
Energy: 0.39930291235837084
Energy: 0.5262277900355661
Energy: 0.36832972036176675
Energy: 0.36441628193883446
Energy: 0.38303493899902924
Energy: 0.3701051601405926
Energy: 0.34583139165407945
Energy: 0.3535633041190335
Energy: 0.3621193296367404
Energy: 0.357787475115703
Energy: 0.35401217945179947
Energy: 0.3625278927429799
Energy: 0.37400230013499225
Energy: 0.3545075058436892
Energy: 0.32085712118869564
Energy: 0.3208345112884563
Energy: 0.35394199512292024
Energy: 0.3428981889386536
Energy: 0.3337123470506362
Energy: 0.35360255998566154
Energy: 0.3550063568276526
Energy: 0.3693013108668658
Energy: 0.35361434377073536
Energy: 0.3665825861472803
Energy: 0.333502626498966
Energy: 0.425840500569568
Energy: 0.3738894796324892
Energy: 0.38372667885378603
Energy: 0.35336384893349354
Energy: 0.3602176060048907
Energy: 0.3697057075067128
Energy: 0.3559303288404634
Energy: 0.3254699389064073
Energy: 0.3088518489415238
Energy: 0.3453401074577669
Energy: 0.3252203030125473
Energy: 0.3086115887788169
Energy: 0.3545573366885327
Energy: 0.32605159538226464
Energy: 0.3267734028211097
Energy: 0.34256272416831646
Energy: 0.3445508527661075
Energy: 0.30974334750895005
Energy: 0.35300704447532316
Energy: 0.3455456273035365
Energy: 0.33247180970198825
Energy: 0.3580895556907058
Energy: 0.3449720024926781
Energy: 0.30884382659762816
Energy: 0.6192783414444352
Energy: 0.35358675770853637
Energy: 0.3691010739706607
Energy: 0.38263574421473406
Energy: 0.35360492829013984
Energy: 0.39192490448935285
Energy: 0.552105289544448
Energy: 0.3536118142396208
Energy: 0.33403032831952567
Energy: 0.3852088029412791
Energy: 0.3534975554104957
Energy: 0.3649257382215379
Energy: 0.4495507544322244
Energy: 0.35505399822590267
Energy: 0.35462807306307964
Energy: 0.3430835202825936
Energy: 0.3546923177959021
Energy: 0.333796989235654
Energy: 0.4503685396586772
Energy: 0.35413381717058223
Energy: 0.3406160041036949
Energy: 0.36264524859342434
Energy: 0.35552667751462624
Energy: 0.37404526761216644
Energy: 0.35329030046052806
Energy: 0.36418370910991216
Energy: 0.380434790438972
Energy: 0.36935922194506976
Energy: 0.3675250127224743
Energy: 0.35723013505076484
Energy: 0.42017856441560497
Energy: 0.380614560088391
Energy: 0.3927332970130297
Energy: 0.4200767113291286
Energy: 0.38232496654732817
Energy: 0.36397066264636724
Energy: 0.3685909776034214
Energy: 0.35619963770416274
Energy: 0.3689456498563099
Energy: 0.368634623585173
Energy: 0.3678687318688918
Energy: 0.3688377747490392
Energy: 0.36843905111393654
Energy: 0.35493415467765455
Energy: 0.35961438839730187
Energy: 0.36848882628859203
Energy: 0.3618970935186291
Energy: 0.36859953405523643
Energy: 0.503961586439141
Energy: 0.3439121320157867
Energy: 0.3373451916617449
Energy: 0.4347407844536464
Energy: 0.36102454435712616
Energy: 0.35872455396902425
Energy: 0.5194283022263878
Energy: 0.3759221489302736
Energy: 0.3956959214191341
Energy: 0.3373947439601404
Energy: 0.3765686694077208
Energy: 0.3770029101354541
Energy: 0.5205619526487637
Energy: 0.3711299465258504
Energy: 0.3735993620151522
Energy: 0.3694873738289655
Energy: 0.3735090608355063
Energy: 0.36119682509644013
Energy: 0.4415848564812447
Energy: 0.3690762601098509
Energy: 0.36907338553106167
Energy: 0.3733430242613129
Energy: 0.3694154947578593
Energy: 0.3686782705473471
Energy: 0.5695260705818916
Energy: 0.37036047462838173
Energy: 0.37015957540618827
Energy: 0.379378578376823
Energy: 0.37016651233422604
Energy: 0.3729874411738996
Energy: 0.5359050315659677
Energy: 0.3682856913411456
Energy: 0.3968128242941676
Energy: 0.36072514533541084
Energy: 0.36834992222653
Energy: 0.35627072303265955
Energy: 0.4069657059194279
Energy: 0.35123367783970827
Energy: 0.3743085119614581
Energy: 0.3674334520096965
Energy: 0.3524311518135191
Energy: 0.30933960432142665
Energy: 0.35551891231053256
Energy: 0.344420418876887
Energy: 0.3200635824371031
Energy: 0.35590237308097156
Energy: 0.344360450822912
Energy: 0.33567259888548895
Energy: 0.35353558051560297
Energy: 0.3477703912060226
Energy: 0.3670771951747024
Energy: 0.3535158740146262
Energy: 0.347718739939603
Energy: 0.353430854459174
Energy: 0.410848141188642
Energy: 0.4506576801300343
Energy: 0.4008338320203357
Energy: 0.41074355000302293
Energy: 0.3680830190776577
Energy: 0.3685899114180293
Energy: 0.3551027678177371
Energy: 0.3476890007768089
Energy: 0.34762671301378095
Energy: 0.3535267124938877
Energy: 0.34697806052997227
Energy: 0.3257773235076753
Energy: 0.35527270125702415
Energy: 0.3421586101184248
Energy: 0.32900186280055854
Energy: 0.3439867684276212
Energy: 0.3251954202005725
Energy: 0.3247026248059891
Energy: 0.3536094957528601
Energy: 0.3453363632304636
Energy: 0.3457633198658451
Energy: 0.34213089155175
Energy: 0.3450316292972037
Energy: 0.3117095537835173
Energy: 0.5519050941524616
Energy: 0.3535561596511933
Energy: 0.3351590044462687
Energy: 0.3847706946634611
Energy: 0.3534944840672556
Energy: 0.3647163227808289

minimum gb energy = 0.3086115887788169 eV
minimum distance =  2.62224688103801 Angstroms
sigma value = 57


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

Energy: 0.1593749917231109
Energy: 0.4870177829323266
Energy: 0.15979355399297954
Energy: 0.1607584801937
Energy: 0.4850465992195907
Energy: 0.16004790508123506
Energy: 0.2076933547491961
Energy: 0.16572442258204623
Energy: 0.16580176222567183
Energy: 0.18220658300386575
Energy: 0.16755506818440308
Energy: 0.16565802823073114
Energy: 0.20617873097886855
Energy: 0.18092511248315765
Energy: 0.18110872614218523
Energy: 0.18263584731131116
Energy: 0.18059350893603526
Energy: 0.18156045008779967
Energy: 0.2061836263289072
Energy: 0.18087443690171778
Energy: 0.18115019217635503
Energy: 0.18135581733619008
Energy: 0.18087367981181943
Energy: 0.18133134371374465
Energy: 0.20645449526489476
Energy: 0.16010347933927913
Energy: 0.17620228915629446
Energy: 0.1827166645312268
Energy: 0.15979352684694836
Energy: 0.18554594661395687
Energy: 0.18040492163872154
Energy: 0.15984075053076818
Energy: 0.1600792285816589
Energy: 0.16545892669075032
Energy: 0.15957683997809993
Energy: 0.17408723040987897
Energy: 0.18043418195860958
Energy: 0.16578995753395206
Energy: 0.16578679686505424
Energy: 0.18171529260099398
Energy: 0.16767456817585763
Energy: 0.16668509980916224
Energy: 0.18053080996461954
Energy: 0.20597670396463344
Energy: 0.20532744010711806
Energy: 0.18057093114798634
Energy: 0.1825042037699588
Energy: 0.18113725035552347
Energy: 0.20648539727336104
Energy: 0.18691473533809924
Energy: 0.18531865885366702
Energy: 0.1806937734649074
Energy: 0.18354050623094084
Energy: 0.1813330915331336
Energy: 0.15948234086077484
Energy: 0.18642063881470872
Energy: 0.17485907201268253
Energy: 0.15963936262366166
Energy: 0.18300192569319518
Energy: 0.17446979492406933
Energy: 0.15946627607682046
Energy: 0.16566000564900307
Energy: 0.16603777018393065
Energy: 0.15961363081388621
Energy: 0.16846105741468434
Energy: 0.1758735564703358
Energy: 0.20892809659519754
Energy: 0.1817244376137695
Energy: 0.1851319980341397
Energy: 0.16685562462848216
Energy: 0.18109791276971302
Energy: 0.1664044467098106
Energy: 0.2062706418028558
Energy: 0.20536383900532537
Energy: 0.20550514062670167
Energy: 0.20574886556973598
Energy: 0.20622243854128944
Energy: 0.2055784237582596
Energy: 0.20746454199831554
Energy: 0.18136277578503424
Energy: 0.185672215836851
Energy: 0.18351263063011772
Energy: 0.18326347090132433
Energy: 0.1659700230152383
Energy: 0.16502218421860132
Energy: 0.15969945742233005
Energy: 0.15993184355316903
Energy: 0.16508616215966798
Energy: 0.16235248858949508
Energy: 0.16023751437282702
Energy: 0.18318142189794148
Energy: 0.1761007770391443
Energy: 0.16590246830583943
Energy: 0.20091753272824106
Energy: 0.15990960461077575
Energy: 0.16574913850719009
Energy: 0.18060740501899172
Energy: 0.18904740634737022
Energy: 0.18532874539458447
Energy: 0.18059392622676945
Energy: 0.1819702807384563
Energy: 0.1814894477033323
Energy: 0.2063906540479392
Energy: 0.1824824199581043
Energy: 0.20589637649235762
Energy: 0.20603377310445653
Energy: 0.18221779340382707
Energy: 0.18136462339214876
Energy: 0.15950704925448023
Energy: 0.16572876004360695
Energy: 0.1656533038382981
Energy: 0.1596818220784608
Energy: 0.1683185927419092
Energy: 0.18580085426978063

minimum gb energy = 0.1593749917231109 eV
minimum distance =  2.73273794613316 Angstroms
sigma value = 11


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

Energy: 0.6439734406806268
Energy: 0.322813326767059
Energy: 0.39112337560574595
Energy: 0.47375395896499634
Energy: 0.8242208734813298
Energy: 0.39470013517917135
Energy: 0.38478046682054917
Energy: 0.3437680275128677
Energy: 0.33020965842847344
Energy: 0.3624829215977193
Energy: 0.32578180187651273
Energy: 0.34074079070392277
Energy: 0.3214681391306547
Energy: 0.32442269151219216
Energy: 0.3219447414780021
Energy: 0.3228821036894496
Energy: 0.32211137810699714
Energy: 0.3209110516437503
Energy: 0.3214323371511052
Energy: 0.3205615312988599
Energy: 0.31315999084012225
Energy: 0.3228243593541898
Energy: 0.3473635273991687
Energy: 0.32624231358175065
Energy: 0.3204192802308573
Energy: 0.3318593414234925
Energy: 0.3355007510330372
Energy: 0.33594623908891247
Energy: 0.3656866125602959
Energy: 0.3247382268181262
Energy: 0.4077234375681716
Energy: 0.33559588895790476
Energy: 0.3200242802959474
Energy: 0.3548251415185089
Energy: 0.3702782027900123
Energy: 0.3287669437038205
Energy: 0.39563083731832677
Energy: 0.3236457908098158
Energy: 0.3115974000422677
Energy: 0.3263698275239023
Energy: 0.35742694121368174
Energy: 0.3169022808734193
Energy: 0.33714334619650305
Energy: 0.3407682137296973
Energy: 0.3379301422679345
Energy: 0.3385477628680626
Energy: 0.3397935560949819
Energy: 0.36304011727398755
Energy: 0.41114704025833365
Energy: 0.3358915776337492
Energy: 0.32605893639099076
Energy: 0.3459429766684525
Energy: 0.3370993313573087
Energy: 0.33725448848088707
Energy: 0.4759164177784979
Energy: 0.32824850340123235
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Energy: 0.3551993588032921
Energy: 0.3187392205049378
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Energy: 0.3288876532026669
Energy: 0.3334318952993184
Energy: 0.36533689867501196
Energy: 0.3512133837622093
Energy: 0.3358718315805069
Energy: 0.4852983269996447
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Energy: 0.3240515363163934
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Energy: 0.30607581763730807
Energy: 0.3206095682580679
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Energy: 0.32033336412705865
Energy: 0.36617141605400005
Energy: 0.33769482145592333
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Energy: 0.3670505844624275
Energy: 0.3320735026154675
Energy: 0.33336009223565966
Energy: 0.5386227968731724
Energy: 0.4197642542154507
Energy: 0.4194495156844685
Energy: 0.36659588259037373
Energy: 0.41933695767869184
Energy: 0.3372529973514835
Energy: 0.5004484517389332
Energy: 0.33322560076952
Energy: 0.3339482405116678
Energy: 0.3517740624149541
Energy: 0.3673822553888714
Energy: 0.33388480322078473
Energy: 0.4482377940925309
Energy: 0.4136839412272824
Energy: 0.3809437440707671
Energy: 0.3107118880237002
Energy: 0.43328577158832526
Energy: 0.3046128244233666
Energy: 0.4965818001162916
Energy: 0.32841205272158785
Energy: 0.3303721183230721
Energy: 0.3618672178686619
Energy: 0.3745607479132661
Energy: 0.33627669696054746
Energy: 0.4740050497183054
Energy: 0.33407756555873863
Energy: 0.33406038028729385
Energy: 0.3354637010869104
Energy: 0.3695929202950275
Energy: 0.3224646499112078
Energy: 0.39337317374226954
Energy: 0.4452999915610683
Energy: 0.3339018135501863
Energy: 0.3254160225928595
Energy: 0.4324480702315988
Energy: 0.34013686800965837
Energy: 0.4916503267342007
Energy: 0.3325011264681129
Energy: 0.33875144255017564
Energy: 0.34740017625530023
Energy: 0.3696082406401448
Energy: 0.3348082270861242
Energy: 0.5377793516539402
Energy: 0.4158111744580793
Energy: 0.4162555096892146
Energy: 0.5294766861881196
Energy: 0.4649907103605345
Energy: 0.4314023117691498
Energy: 0.33254391965313623
Energy: 0.3341843317668977
Energy: 0.3349916468298648
Energy: 0.347432261301497
Energy: 0.3370591043011901
Energy: 0.3209126466320804
Energy: 0.33902566720774985
Energy: 0.3243010295635862
Energy: 0.32194201356916813
Energy: 0.3381074378774126
Energy: 0.3221779836617248
Energy: 0.31903797241333637
Energy: 0.39058878943775777
Energy: 0.3248710753694081
Energy: 0.3246229919468631
Energy: 0.40077670701658014
Energy: 0.3234244399165044
Energy: 0.32282754173044964
Energy: 0.5116085705788943
Energy: 0.3374553034064422
Energy: 0.33881773279961425
Energy: 0.36949962902836114
Energy: 0.34685521433825495
Energy: 0.3008416301863473

minimum gb energy = 0.3008416301863473 eV
minimum distance =  2.69332457374363 Angstroms
sigma value = 41


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

Energy: 0.6097741895779121
Energy: 0.7586312273736967
Energy: 0.640131279560538
Energy: 0.44690129340457285
Energy: 0.7583833628075026
Energy: 0.44697813012886367
Energy: 0.44406321478952016
Energy: 0.3615815059655419
Energy: 0.34094088341073403
Energy: 0.3455413495880403
Energy: 0.34856194510849736
Energy: 0.3730426506263597
Energy: 0.3543046570107747
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Energy: 0.3465815981941609
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Energy: 0.34923004076461717
Energy: 0.3442463034074329
Energy: 0.35500627571393706
Energy: 0.3544694124188521
Energy: 0.35468709693068334
Energy: 0.3812333997879737
Energy: 0.36874356035794614
Energy: 0.36319673063742663
Energy: 0.47484480215642966
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Energy: 0.3869082377879988
Energy: 0.3627471216918383
Energy: 0.36899236272339664
Energy: 0.39492977825976
Energy: 0.4624517577806208
Energy: 0.3429135129600362
Energy: 0.34153539948974054
Energy: 0.35458417327897734
Energy: 0.3483906902582512
Energy: 0.3413744879051023
Energy: 0.3806753664680431
Energy: 0.3847861203540322
Energy: 0.3849948195222159
Energy: 0.3826486331944122
Energy: 0.38612463340025793
Energy: 0.33483237070109784
Energy: 0.4739392202410205
Energy: 0.35880386508932915
Energy: 0.3559965536195121
Energy: 0.3444563851576784
Energy: 0.3592872332000207
Energy: 0.35606710751617815
Energy: 0.4628954653006437
Energy: 0.34782060838006046
Energy: 0.339975760090809
Energy: 0.3568406651630038
Energy: 0.36424489285628603
Energy: 0.34006054011299663
Energy: 0.4607034812752203
Energy: 0.3704424900820836
Energy: 0.36920230919891006
Energy: 0.3585612907670242
Energy: 0.372374904105756
Energy: 0.3557099659504639
Energy: 0.5613315861040055
Energy: 0.32716954721343583
Energy: 0.324429025060036
Energy: 0.41495230534915983
Energy: 0.32766831073305314
Energy: 0.36808752436950004
Energy: 0.3690339935511175
Energy: 0.32638355773226563
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Energy: 0.38551517330873236
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Energy: 0.4077505234291895
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Energy: 0.39881043921589837
Energy: 0.38543499161553346
Energy: 0.4437728793675551
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Energy: 0.41453878005557027
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Energy: 0.3462669014846707
Energy: 0.32364363298037574
Energy: 0.33239499510084297
Energy: 0.5300381308087125
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Energy: 0.36064908214404157
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Energy: 0.35512955747840214
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Energy: 0.3543924506964437
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Energy: 0.3537771744447509
Energy: 0.35534942201636033
Energy: 0.3475232929225473
Energy: 0.35451502787636985
Energy: 0.3602529287933314
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Energy: 0.3544531452937168
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Energy: 0.35833573805489405
Energy: 0.5575918033203865
Energy: 0.39748935087326814
Energy: 0.39740546949203837
Energy: 0.5580065711018539
Energy: 0.5390645761633867
Energy: 0.40377170522400435
Energy: 0.46110685906606547
Energy: 0.3591416732673177
Energy: 0.35998169615487247
Energy: 0.3544258904383683
Energy: 0.35895152969570127
Energy: 0.35831019556603183
Energy: 0.3807677015125227
Energy: 0.38604911769006733
Energy: 0.3843786024594959
Energy: 0.3826117468922376
Energy: 0.38691787085712176
Energy: 0.33187880622553734
Energy: 0.46217165944955946
Energy: 0.3474485437716976
Energy: 0.3414788911295871
Energy: 0.35634100574532446
Energy: 0.3500030303381438
Energy: 0.3402264022419364
Energy: 0.46094656286083147
Energy: 0.3702969180571785
Energy: 0.36928169014974876
Energy: 0.35826837557603897
Energy: 0.3544057251748648
Energy: 0.36255473684919326
Energy: 0.46264525828058195
Energy: 0.34085452417913853
Energy: 0.3401190608322536
Energy: 0.3568787597470716
Energy: 0.36902179665411505
Energy: 0.3399819008582091
Energy: 0.561090238515349
Energy: 0.3249110293416562
Energy: 0.3560833016312517
Energy: 0.4364537032249821
Energy: 0.3247392658982657
Energy: 0.3565809832352066
Energy: 0.4039169407723998
Energy: 0.4430240718445167
Energy: 0.4431888643446787
Energy: 0.39588087419523904
Energy: 0.3587685387960978
Energy: 0.4429742536304902
Energy: 0.3705372469181497
Energy: 0.3755388261682498
Energy: 0.3730769559399016
Energy: 0.37005887147512523
Energy: 0.35591950994277843
Energy: 0.3563699700106556
Energy: 0.38552631938647136
Energy: 0.36145630832965897
Energy: 0.3850374329011506
Energy: 0.38557651848796576
Energy: 0.35380207293931204
Energy: 0.3850533198909874
Energy: 0.4438998670039048
Energy: 0.34869807742876424
Energy: 0.34073785599934286
Energy: 0.41392667295205937
Energy: 0.35619509686838563
Energy: 0.3453265486237469
Energy: 0.5419717053972931
Energy: 0.3711684455916363
Energy: 0.3709440930505921
Energy: 0.3304771959305652
Energy: 0.34016609966532213
Energy: 0.37202173060241184

minimum gb energy = 0.32364363298037574 eV
minimum distance =  2.63451357882209 Angstroms
sigma value = 33


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

Energy: 0.429112995750222
Energy: 0.7079080171367033
Energy: 0.5451053829907976
Energy: 0.42979715322087386
Energy: 0.7059752970487516
Energy: 0.5449825230122671
Energy: 0.5007176785727604
Energy: 0.36590209699488885
Energy: 0.36325635638940795
Energy: 0.36367289780942724
Energy: 0.39092294016024015
Energy: 0.3750225418651173
Energy: 0.3914993398432486
Energy: 0.3640186984097978
Energy: 0.3629685411864141
Energy: 0.38788662394619516
Energy: 0.38726724030630016
Energy: 0.361855329148829
Energy: 0.39094698365703057
Energy: 0.36797256356753955
Energy: 0.3626820202724125
Energy: 0.38918143431730445
Energy: 0.366747310363941
Energy: 0.3627041622260969
Energy: 0.3930673919556016
Energy: 0.3656097761688485
Energy: 0.36420516239238543
Energy: 0.4172364913861623
Energy: 0.3907090344295593
Energy: 0.3634359072588759
Energy: 0.493646067612384
Energy: 0.36977391202452453
Energy: 0.4515390911219563
Energy: 0.40132543334019977
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Energy: 0.529301088885477
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Energy: 0.3636495169699018
Energy: 0.39509570075372347
Energy: 0.39129602978763833
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Energy: 0.4295141657058945
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Energy: 0.36534937938088885
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Energy: 0.36324903053221336
Energy: 0.36617740036541846
Energy: 0.3640073785861213
Energy: 0.44875185244278254
Energy: 0.45002497144116904
Energy: 0.4480046411746174
Energy: 0.4496695387923208
Energy: 0.4503634460835445
Energy: 0.44852838346613777
Energy: 0.49778209398525786
Energy: 0.36704920966597065
Energy: 0.3636480166837606
Energy: 0.36713642080746967
Energy: 0.3912712605082694
Energy: 0.36351724612654596
Energy: 0.6286683291353158
Energy: 0.48312337516382164
Energy: 0.5469068509683525
Energy: 0.35101527980640906
Energy: 0.49966535696288134
Energy: 0.5479050081674518

minimum gb energy = 0.3492856188130947 eV
minimum distance =  2.69102850472343 Angstroms
sigma value = 67


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

Energy: 0.4968139739527058
Energy: 0.5899684804435236
Energy: 0.36599830100421804
Energy: 0.36772560863425546
Energy: 0.592466454233404
Energy: 0.36595607757158294
Energy: 0.42707074292227
Energy: 0.3914628017407039
Energy: 0.3912603520923436
Energy: 0.3903706415749158
Energy: 0.39174727810319665
Energy: 0.39068036345825663
Energy: 0.43182095138700605
Energy: 0.35967358941386973
Energy: 0.3776551396737241
Energy: 0.3774564307643537
Energy: 0.3626658462823996
Energy: 0.37763529576381993
Energy: 0.42636906971926475
Energy: 0.3790706287783978
Energy: 0.37815021392160414
Energy: 0.37724641082149357
Energy: 0.37684215191156933
Energy: 0.3780755450995756
Energy: 0.428899388240298
Energy: 0.39147242431251095
Energy: 0.3903052702229076
Energy: 0.42956345495642273
Energy: 0.3910128783786531
Energy: 0.3915981986338645
Energy: 0.42830088864995514
Energy: 0.364634277077541
Energy: 0.3900242465531838
Energy: 0.4283122796212415
Energy: 0.36286903890120664
Energy: 0.4327107794497302
Energy: 0.48444850115702837
Energy: 0.3918215984028962
Energy: 0.3914256818002105
Energy: 0.35123645444836327
Energy: 0.3916424237614552
Energy: 0.39106488329708305

minimum gb energy = 0.35123645444836327 eV
minimum distance =  2.71716732443567 Angstroms
sigma value = 3


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

Energy: 0.6342065202790715
Energy: 0.6546120916480438
Energy: 0.49051983281365646
Energy: 0.42530758887537623
Energy: 0.5217599392390413
Energy: 0.4913658126821312
Energy: 0.41947813603390444
Energy: 0.41844236956300745
Energy: 0.42117116594704684
Energy: 0.46349053779547045
Energy: 0.4732934228790612
Energy: 0.422029167731585
Energy: 0.4622800075100018
Energy: 0.422679026416165
Energy: 0.42166657951075365
Energy: 0.42132051377934215
Energy: 0.4227410418184689
Energy: 0.42180270554829574
Energy: 0.41986362587534437
Energy: 0.4211117772543968
Energy: 0.4212839814802891
Energy: 0.42106974867430885
Energy: 0.422730111945663
Energy: 0.4210636310524524
Energy: 0.4299136139799303
Energy: 0.43467113479719566
Energy: 0.43440924680725573
Energy: 0.43203423637835653
Energy: 0.43554501027665565
Energy: 0.4402610801025602
Energy: 0.45558052259410603
Energy: 0.43535886215234043
Energy: 0.43518527090132114
Energy: 0.45591908698135375
Energy: 0.4353952763268291
Energy: 0.4429233831390047
Energy: 0.4278832992514874
Energy: 0.43891702781163516
Energy: 0.4499676953211436
Energy: 0.47052472039413984
Energy: 0.4823218576441282
Energy: 0.4511025900119706
Energy: 0.5993464099704457
Energy: 0.4513922865873
Energy: 0.4695770395557737
Energy: 0.4208455570945791
Energy: 0.44918498766337567
Energy: 0.4607659938806484
Energy: 0.5278368795444821
Energy: 0.44955387126779417
Energy: 0.4328790959310034
Energy: 0.4858710785769341
Energy: 0.4471121851839479
Energy: 0.432927352050114
Energy: 0.4897791350223347
Energy: 0.4177434235673941
Energy: 0.4176407488616195
Energy: 0.5280924089218767
Energy: 0.4178405049659832
Energy: 0.42016128881264314
Energy: 0.4976451215412758
Energy: 0.42167076416131777
Energy: 0.4183979095070702
Energy: 0.4986235182611078
Energy: 0.4217608120165641
Energy: 0.44127317808931027
Energy: 0.5069027475931601
Energy: 0.4427740652374512
Energy: 0.43971723919746647
Energy: 0.4364052351000541
Energy: 0.45759188334059786
Energy: 0.44258720734489587
Energy: 0.504644356629452
Energy: 0.4374908862148236
Energy: 0.4397204952706547
Energy: 0.44899661236891175
Energy: 0.4362405529680481
Energy: 0.4397332174124649
Energy: 0.4932452837184338
Energy: 0.42426000750517245
Energy: 0.4196755816280399
Energy: 0.42158140753395434
Energy: 0.42031123082954475
Energy: 0.419805566771778
Energy: 0.5341950208712771
Energy: 0.4219930140900931
Energy: 0.4215613642975358
Energy: 0.43928566757764537
Energy: 0.4223745525156579
Energy: 0.43113979662777546
Energy: 0.5674253459645651
Energy: 0.4273251560555179
Energy: 0.41849718343583375
Energy: 0.5020124234860032
Energy: 0.44605205826864597
Energy: 0.41818484412286466
Energy: 0.5248786944138724
Energy: 0.44625514020775003
Energy: 0.4462560912225833
Energy: 0.51162678273116
Energy: 0.42215900129899986
Energy: 0.4807770344907717
Energy: 0.5906649052201328
Energy: 0.4528512065041419
Energy: 0.4477272079893406
Energy: 0.50231261420951
Energy: 0.45386556358610913
Energy: 0.45296370293506044
Energy: 0.6443828594279921
Energy: 0.4473348638485598
Energy: 0.4251818614296455
Energy: 0.4174328512554278
Energy: 0.4683532256535988
Energy: 0.4178397759669621
Energy: 0.5664080772209955
Energy: 0.44885004168980336
Energy: 0.4237959145628398
Energy: 0.4176470610881062
Energy: 0.45265596238232325
Energy: 0.4178342531519765
Energy: 0.4590840333547793
Energy: 0.45111898281547663
Energy: 0.4529170206791454
Energy: 0.4586368421648129
Energy: 0.4576676073157217
Energy: 0.4523733232267811
Energy: 0.47934881684148106
Energy: 0.45890485794936287
Energy: 0.4542940809615253
Energy: 0.45783629478869753
Energy: 0.4598020184915897
Energy: 0.45390385805779027
Energy: 0.45695449033511726
Energy: 0.4521708511730152
Energy: 0.45075931445036943
Energy: 0.4528882255915767
Energy: 0.4524847872433661
Energy: 0.45599034683846174
Energy: 0.44757603136444274
Energy: 0.42065260097712553
Energy: 0.43211739562254603
Energy: 0.44755328177066744
Energy: 0.4206169147861347
Energy: 0.44687245606990383
Energy: 0.5088111610668116
Energy: 0.4207364981573949
Energy: 0.41852810266230994
Energy: 0.4901689280263378
Energy: 0.4193550337633391
Energy: 0.42222250631861225
Energy: 0.6404331579915417
Energy: 0.4771396701937073
Energy: 0.4826239534153445
Energy: 0.4218494956125473
Energy: 0.534366691300958
Energy: 0.4253657386368503
Energy: 0.6373565836328959
Energy: 0.45969176615574703
Energy: 0.4541515111524389
Energy: 0.4237290238726678
Energy: 0.5073078693761506
Energy: 0.42601081546979663
Energy: 0.45930120747523656
Energy: 0.4205958248277871
Energy: 0.42066226923684397
Energy: 0.46297183716958645
Energy: 0.4201530593634208
Energy: 0.41969055222324625
Energy: 0.42729830416302805
Energy: 0.4232139537196005
Energy: 0.42198430004591264
Energy: 0.4272416644583904
Energy: 0.4227058737291761
Energy: 0.42205706956817796
Energy: 0.4272921640739038
Energy: 0.4329698069949988
Energy: 0.43057918108484705
Energy: 0.42764584320918436
Energy: 0.4337560576816568
Energy: 0.42608772577365955
Energy: 0.4422140822204131
Energy: 0.44059802124348674
Energy: 0.4397199402736678
Energy: 0.4412238230515298
Energy: 0.4401238710866482
Energy: 0.4348422070133932
Energy: 0.4521198552230236
Energy: 0.43627249310811606
Energy: 0.436240042205006
Energy: 0.4601750031964884
Energy: 0.45903089898143223
Energy: 0.4419842216435029
Energy: 0.6029386884183117
Energy: 0.4825445412428821
Energy: 0.4553670909497581
Energy: 0.42016420702574264
Energy: 0.48209743898449303
Energy: 0.42116868709893257
Energy: 0.5815614881419103
Energy: 0.4432417860298894
Energy: 0.4416533023094969
Energy: 0.42142555556768024
Energy: 0.47335883876856505
Energy: 0.4445574479507546
Energy: 0.5527531767385213
Energy: 0.4214807599124589
Energy: 0.41828981407117405
Energy: 0.5123443309890332
Energy: 0.4186086748318657
Energy: 0.4416144211169799
Energy: 0.4995512350084749
Energy: 0.4178854399107247
Energy: 0.41763293751012587
Energy: 0.49061186363428305
Energy: 0.417749766947189
Energy: 0.4241196903225247
Energy: 0.4976929964104672
Energy: 0.4467728186878517
Energy: 0.4369695382397232
Energy: 0.49772304081340124
Energy: 0.45342202525375536
Energy: 0.4370330659830999
Energy: 0.5045216674738094
Energy: 0.4356993033978405
Energy: 0.43570783572712307
Energy: 0.4515121935951539
Energy: 0.44302884268156256
Energy: 0.4511022365164956
Energy: 0.47328501826732644
Energy: 0.42929682700447375
Energy: 0.42666381384976365
Energy: 0.43634727538327583
Energy: 0.428329451058082
Energy: 0.4296712850391211
Energy: 0.535050884969326
Energy: 0.42765818020565327
Energy: 0.4215132513439099
Energy: 0.4346548322354381
Energy: 0.42542560949995584
Energy: 0.4211280467208355
Energy: 0.5703710930717114
Energy: 0.4299587336582047
Energy: 0.4251896377987909
Energy: 0.42131365192754056
Energy: 0.4647767104892007
Energy: 0.42073532271665837
Energy: 0.5338727863424165
Energy: 0.43736222350239845
Energy: 0.43743618982593724
Energy: 0.5266955869204301
Energy: 0.421277375933115
Energy: 0.45342547804213085
Energy: 0.5505056688810354
Energy: 0.42646712136464027
Energy: 0.44656462823477816
Energy: 0.5422993847049504
Energy: 0.42145148476676847
Energy: 0.45331965277300473
Energy: 0.5762245087447443
Energy: 0.4236945807559865
Energy: 0.41862586467435275
Energy: 0.4781190102371756
Energy: 0.4496435491675602
Energy: 0.41837277727821187
Energy: 0.5631382967738152
Energy: 0.4477652777742292
Energy: 0.4295500910954932
Energy: 0.43213514185703183
Energy: 0.4477403479297898
Energy: 0.4299964117782368
Energy: 0.4504542587786165
Energy: 0.44396361715318633
Energy: 0.4218573619332353
Energy: 0.4610141898397519
Energy: 0.4289750771921814
Energy: 0.4494404193343633
Energy: 0.48002190212497203
Energy: 0.456421783733891
Energy: 0.45604542847761775
Energy: 0.4511378434960303
Energy: 0.45649228680111
Energy: 0.4546782277920062
Energy: 0.4621769809166805
Energy: 0.4570781801099758
Energy: 0.45487500071258347
Energy: 0.4601245988280844
Energy: 0.4561111667228115
Energy: 0.4551048693281974
Energy: 0.4492392813368285
Energy: 0.42022784131476415
Energy: 0.4220772795765552
Energy: 0.4502861646324121
Energy: 0.4202826695040205
Energy: 0.4227597347110965
Energy: 0.5146409041352672
Energy: 0.42032929255862095
Energy: 0.4203923534904432
Energy: 0.5156069144529002
Energy: 0.4202939198090138
Energy: 0.42253212605327267
Energy: 0.4706160005176714
Energy: 0.458621806752018
Energy: 0.45149365318850687
Energy: 0.45160145012778463
Energy: 0.43638279939427366
Energy: 0.45440738408585485

minimum gb energy = 0.4174328512554278 eV
minimum distance =  2.59881750534106 Angstroms
sigma value = 81


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

Energy: 0.6730183636264684
Energy: 0.48052098416416944
Energy: 0.4075640711928554
Energy: 0.4148982185646686
Energy: 0.4805633857523005
Energy: 0.4351779944573774
Energy: 0.45614581076255384
Energy: 0.4257227128276192
Energy: 0.4234857785939439
Energy: 0.4407121529482747
Energy: 0.43113397798285114
Energy: 0.4220077076889941
Energy: 0.45882419327510787
Energy: 0.4605844737740324
Energy: 0.460089117449534
Energy: 0.438474814489509
Energy: 0.45801080361758384
Energy: 0.48282009178119323
Energy: 0.4565203859434995
Energy: 0.4602182360385841
Energy: 0.45151363584675414
Energy: 0.45623350626234727
Energy: 0.4593015422400627
Energy: 0.43896436935289906
Energy: 0.4503148449241973
Energy: 0.4481656595895546
Energy: 0.45169047729791734
Energy: 0.4510497723866112
Energy: 0.45265926320518557
Energy: 0.44891661547528056
Energy: 0.46862525227628843
Energy: 0.44774525784791597
Energy: 0.4463973382642988
Energy: 0.45157098891557335
Energy: 0.4462591332072541
Energy: 0.44430676583123185
Energy: 0.47484465851178576
Energy: 0.44785194268945744
Energy: 0.44770022628005024
Energy: 0.45163970296250794
Energy: 0.44781816494444887
Energy: 0.447868240541769
Energy: 0.5707098557655395
Energy: 0.4903368987815091
Energy: 0.4885357047927231
Energy: 0.43177262371795033
Energy: 0.48949400558088957
Energy: 0.4340605788486163
Energy: 0.48272587167260966
Energy: 0.46547316096049757
Energy: 0.46513278311517126
Energy: 0.46561212335910374
Energy: 0.4658875766143784
Energy: 0.4715370390592344
Energy: 0.47852844053122545
Energy: 0.39686615883468923
Energy: 0.39671983646951764
Energy: 0.43974745695916384
Energy: 0.3964156704863225
Energy: 0.3968419593901097
Energy: 0.4643659876549731
Energy: 0.3962205525420251
Energy: 0.3960752354083193
Energy: 0.4761566671217067
Energy: 0.39630798550848884
Energy: 0.4611210042903369
Energy: 0.4441955803259779
Energy: 0.47471417670346777
Energy: 0.4767940356225728
Energy: 0.45131429649494337
Energy: 0.47540401854560566
Energy: 0.47835545067888685
Energy: 0.48143425991916
Energy: 0.4778051673071317
Energy: 0.47922865554855093
Energy: 0.45831829424194903
Energy: 0.47707669254868457
Energy: 0.45925583467644615
Energy: 0.4735815851871592
Energy: 0.44422272681284497
Energy: 0.4448112521615224
Energy: 0.45053744451059735
Energy: 0.44343872824720665
Energy: 0.44228050151166426
Energy: 0.5803946976436818
Energy: 0.44488706077197426
Energy: 0.4501094763946523
Energy: 0.4414102379741816
Energy: 0.4426939450811922
Energy: 0.4417012017380007
Energy: 0.46601824111283024
Energy: 0.44807312723966
Energy: 0.4416029207959102
Energy: 0.4622468375651977
Energy: 0.4478511387288997
Energy: 0.4421831943222984
Energy: 0.523760169322595
Energy: 0.4298112516941525
Energy: 0.43722673258420475
Energy: 0.4945109880902344
Energy: 0.43164700189492294
Energy: 0.43674137923504763
Energy: 0.4535868399798466
Energy: 0.4660219919702743
Energy: 0.46678720986651373
Energy: 0.46573890540555735
Energy: 0.4469938594128833
Energy: 0.4672072503864006
Energy: 0.635769480266627
Energy: 0.4421915843201312
Energy: 0.3962843254909475
Energy: 0.39637076681213806
Energy: 0.43828879646944197
Energy: 0.39622452963370003
Energy: 0.649180207052951
Energy: 0.4419678472746247
Energy: 0.3963931112269966
Energy: 0.3964231007865109
Energy: 0.4412365929211786
Energy: 0.39635665905736617
Energy: 0.45622127037078336
Energy: 0.441986003362631
Energy: 0.48237580611267783
Energy: 0.46607462185004983
Energy: 0.4449366661847434
Energy: 0.48265550806493757
Energy: 0.45836467430237254
Energy: 0.46414751280126654
Energy: 0.46217689199136425
Energy: 0.47957343282296955
Energy: 0.45930859287032366
Energy: 0.4621319479429176
Energy: 0.45547158748798927
Energy: 0.4788749617755433
Energy: 0.4437010919646607
Energy: 0.4546813327177745
Energy: 0.44921859117099644
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Energy: 0.4512975176877205
Energy: 0.44668920182035127
Energy: 0.44305382197577287
Energy: 0.4427710756157414
Energy: 0.44704739003455574
Energy: 0.44272526677039226
Energy: 0.4768567341161704
Energy: 0.44257582657514205
Energy: 0.4424315005750448
Energy: 0.44762443938708335
Energy: 0.4423749390234452
Energy: 0.4435148638601284
Energy: 0.5633686064745931
Energy: 0.4919876342542162
Energy: 0.5058235863439685
Energy: 0.4305942121303553
Energy: 0.4920980639423355
Energy: 0.4757116933474447
Energy: 0.5621815542166545
Energy: 0.5046810001523143
Energy: 0.4635350362127636
Energy: 0.4384727889881335
Energy: 0.49136900782557913
Energy: 0.4730925282378229
Energy: 0.4830621364776289
Energy: 0.3961370672578803
Energy: 0.44293842291352076
Energy: 0.48875044121051203
Energy: 0.3968151131576428
Energy: 0.46097558692911683
Energy: 0.45867488849189714
Energy: 0.39644653428193155
Energy: 0.3966834744771042
Energy: 0.4423042763394175
Energy: 0.3963888392212754
Energy: 0.39667692112073183
Energy: 0.4639252718299293
Energy: 0.4786692345256693
Energy: 0.4907272822673971
Energy: 0.46504341718991854
Energy: 0.47977023468655716
Energy: 0.4475821748558243
Energy: 0.48235259638535716
Energy: 0.48410461297313123
Energy: 0.4814229324018894
Energy: 0.45779954900100595
Energy: 0.49338004882934483
Energy: 0.4614237474134746
Energy: 0.45946609271921457
Energy: 0.44787582487907224
Energy: 0.4600531775957923
Energy: 0.4636297830555991
Energy: 0.463527911079119
Energy: 0.48054869732703864
Energy: 0.5807062262802662
Energy: 0.44671253322144533
Energy: 0.4478331943519694
Energy: 0.45387138819714923
Energy: 0.44528646483528656
Energy: 0.4451585212341032
Energy: 0.5774368296555347
Energy: 0.4469704241366785
Energy: 0.45260662230282434
Energy: 0.4521177714823147
Energy: 0.4456362426129455
Energy: 0.4492425358962843
Energy: 0.5180052234087834
Energy: 0.42618170702713953
Energy: 0.42614061665330377
Energy: 0.5127254572301908
Energy: 0.4333141540159356
Energy: 0.434806507365878
Energy: 0.5222084985205622
Energy: 0.43154308220380244
Energy: 0.4318347958202573
Energy: 0.5001636877261042
Energy: 0.4313973575195076
Energy: 0.5040376461397745
Energy: 0.4566034468222984
Energy: 0.4236320139375761
Energy: 0.42320035629732783
Energy: 0.4363668929066537
Energy: 0.426475561103123
Energy: 0.42220048929367415
Energy: 0.6525657624619036
Energy: 0.4356663648193652
Energy: 0.4091894173438671
Energy: 0.396686829944251
Energy: 0.43428731300208995
Energy: 0.4358106242308781

minimum gb energy = 0.3960752354083193 eV
minimum distance =  2.66602166420023 Angstroms
sigma value = 43


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

Energy: 0.6766526884428999
Energy: 0.48233800210012356
Energy: 0.4784711797442473
Energy: 0.45768056994101525
Energy: 0.4871038394761933
Energy: 0.43871869477310965
Energy: 0.4477709736255481
Energy: 0.4474118040151133
Energy: 0.4572687079061723
Energy: 0.4582309722790119
Energy: 0.44745243658248596
Energy: 0.4361073643614777
Energy: 0.4156074215187617
Energy: 0.40551626994723317
Energy: 0.4055528254410989
Energy: 0.4158152286447233
Energy: 0.40521281965912054
Energy: 0.42704636096921245
Energy: 0.4156240810383528
Energy: 0.40551807677157786
Energy: 0.4156748701340016
Energy: 0.416436512634084
Energy: 0.4053087696868182
Energy: 0.41531109845004455
Energy: 0.4248725709589576
Energy: 0.45028110378059916
Energy: 0.4614173986868765
Energy: 0.432160554212229
Energy: 0.4609504071040701
Energy: 0.4609975790325226
Energy: 0.4765389331070536
Energy: 0.4576973465896069
Energy: 0.46151155509285346
Energy: 0.46711467913269616
Energy: 0.4547889893172217
Energy: 0.46145553558475866
Energy: 0.4390608489205672
Energy: 0.4155201404100869
Energy: 0.4154275481161264
Energy: 0.44448784320630846
Energy: 0.41588277381893973
Energy: 0.4160904453370451
Energy: 0.5788124824410604
Energy: 0.41620858208577416
Energy: 0.4160102259199811
Energy: 0.4086777087787494
Energy: 0.4162121959352576
Energy: 0.43068137577291227
Energy: 0.4966517556808118
Energy: 0.42171095890245375
Energy: 0.4154691381983702
Energy: 0.44707350725017975
Energy: 0.4352138456251907
Energy: 0.4154163653504998
Energy: 0.567426070786284
Energy: 0.4153582391074673
Energy: 0.4489760509999547
Energy: 0.4979007722654292
Energy: 0.42703681357522844
Energy: 0.4908637314168437
Energy: 0.484806158114332
Energy: 0.4310168607899854
Energy: 0.43803783755570364
Energy: 0.49774301873087734
Energy: 0.4509850417884092
Energy: 0.4571259585359522
Energy: 0.48725029958215965
Energy: 0.42735126923603767
Energy: 0.4271967266808197
Energy: 0.4128838146023417
Energy: 0.44305460886361925
Energy: 0.41569117406278755
Energy: 0.6070886897220527
Energy: 0.42702820033217415
Energy: 0.4253569133652272
Energy: 0.40511067425277236
Energy: 0.4270843645243675
Energy: 0.4254634119348559
Energy: 0.4166632909933885
Energy: 0.46148179743294665
Energy: 0.4615961483504317
Energy: 0.4389631231674036
Energy: 0.4517215001224444
Energy: 0.4492801547548351
Energy: 0.41596711198539876
Energy: 0.43442265464010194
Energy: 0.4487314297729554
Energy: 0.4309987380613373
Energy: 0.44291785484492685
Energy: 0.43181612274533343
Energy: 0.40853163658707703
Energy: 0.41668426992141794
Energy: 0.4183845185205455
Energy: 0.40855338529638185
Energy: 0.4633239852218063
Energy: 0.4171138499370117
Energy: 0.408665302996013
Energy: 0.40980330560925665
Energy: 0.4124570411141445
Energy: 0.4096127191933803
Energy: 0.43138452678006406
Energy: 0.4096181111611159
Energy: 0.46484452325662884
Energy: 0.40994416210273227
Energy: 0.4134425835312699
Energy: 0.4515908463410508
Energy: 0.45665078921177527
Energy: 0.41345195665804146
Energy: 0.5064489122497
Energy: 0.4383715902853544
Energy: 0.44231176556340734
Energy: 0.4149659767719655
Energy: 0.43798686291917904
Energy: 0.4153429350714614
Energy: 0.6406383937065655
Energy: 0.4387320676052522
Energy: 0.44180856577803707
Energy: 0.41503429297667493
Energy: 0.46233078752736434
Energy: 0.4154179778585746
Energy: 0.46556694161350975
Energy: 0.44837502359742365
Energy: 0.4128574740149461
Energy: 0.43589468789972124
Energy: 0.44847479154656833
Energy: 0.42814844663908747
Energy: 0.5108375885178187
Energy: 0.4260531611845589
Energy: 0.44827942404904497
Energy: 0.4909927045814444
Energy: 0.4060002030041862
Energy: 0.44825974329043117
Energy: 0.45688921811711447
Energy: 0.4376072027511578
Energy: 0.42824032082695757
Energy: 0.4229618759684956
Energy: 0.43323824581865705
Energy: 0.46037525549296204
Energy: 0.4503895655682866
Energy: 0.43584343242889134
Energy: 0.4383305206659408
Energy: 0.4215172337976537
Energy: 0.40958309035638474
Energy: 0.4120869780298772
Energy: 0.4578673260737522
Energy: 0.4092443765196781
Energy: 0.4094910710576581
Energy: 0.46023174588746313
Energy: 0.4074499342391025
Energy: 0.40984446240772726
Energy: 0.4489543954451929
Energy: 0.41622621323316367
Energy: 0.4165416090778209
Energy: 0.44942592638962003
Energy: 0.4319815860619989
Energy: 0.431761039356568
Energy: 0.43819907623743337
Energy: 0.46247581457621806
Energy: 0.462880371808841
Energy: 0.4617235785719491
Energy: 0.46200296405399904
Energy: 0.4638408606153857
Energy: 0.4382561428624459
Energy: 0.4569097667904041
Energy: 0.4360429520651327
Energy: 0.42786179092086607
Energy: 0.43626922263178164
Energy: 0.41565255592481176
Energy: 0.45189190082766734
Energy: 0.41542214381594483
Energy: 0.41561709040952605
Energy: 0.43656680994142366
Energy: 0.4065248390188131
Energy: 0.44086280572240266
Energy: 0.4568847321780235
Energy: 0.46148896595590916
Energy: 0.4355973344137298
Energy: 0.44656386126725883
Energy: 0.446671866365629
Energy: 0.43587642877291566
Energy: 0.6782183602589245
Energy: 0.4777455647668093
Energy: 0.4743115060043382
Energy: 0.42571701704282516
Energy: 0.46874642242440223
Energy: 0.47190040795519506

minimum gb energy = 0.40511067425277236 eV
minimum distance =  2.59675281754374 Angstroms
sigma value = 57


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

Energy: 0.5244680162620668
Energy: 0.5985485248399498
Energy: 0.4507057957942394
Energy: 0.40193196220007804
Energy: 0.597933860500335
Energy: 0.4486925575989051
Energy: 0.5403323128758836
Energy: 0.41229496310338487
Energy: 0.4121180704283383
Energy: 0.41221811849759354
Energy: 0.4129367737557011
Energy: 0.4089098669671315
Energy: 0.40779540825042865
Energy: 0.381506276325501
Energy: 0.3811830359929869
Energy: 0.4262041701726574
Energy: 0.38156369071633867
Energy: 0.38072693293274673
Energy: 0.4089225840589443
Energy: 0.3812211659438967
Energy: 0.3811596241608572
Energy: 0.40950547877569465
Energy: 0.3806782246638139
Energy: 0.4071368066572872
Energy: 0.40830987609002023
Energy: 0.39748706617124746
Energy: 0.3987090192493989
Energy: 0.4318688484986143
Energy: 0.39617446757772645
Energy: 0.3961946212935706
Energy: 0.38089791501930603
Energy: 0.39597007451677074
Energy: 0.39570680581386897
Energy: 0.39567698336203483
Energy: 0.39553994120558444
Energy: 0.3956334650300904
Energy: 0.4076303754036207
Energy: 0.408284569186137
Energy: 0.4070312214878023
Energy: 0.4117448261224265
Energy: 0.4086463516440686
Energy: 0.40724718755737366
Energy: 0.41022971152396465
Energy: 0.4095547156757686
Energy: 0.4268132787616244
Energy: 0.39497956253974087
Energy: 0.40815677963547176
Energy: 0.4085467037701338
Energy: 0.4119667426903079
Energy: 0.41233339578749767
Energy: 0.4085149937475872
Energy: 0.4125560048730858
Energy: 0.41271088855486804
Energy: 0.4091936170961468
Energy: 0.5075502623110241
Energy: 0.4084730395597208
Energy: 0.4077779300764748
Energy: 0.45856565038895947
Energy: 0.409263942108596
Energy: 0.42502911917341635
Energy: 0.44621494565816694
Energy: 0.4078065192907368
Energy: 0.45258255842420864
Energy: 0.4120782642426328
Energy: 0.3952954200230381
Energy: 0.40864003636732826
Energy: 0.3801210994403327
Energy: 0.41180090321985713
Energy: 0.40824872292646475
Energy: 0.38148566968194225
Energy: 0.4117457891564264
Energy: 0.4336650707773808
Energy: 0.3810724508410726
Energy: 0.40881057789150055
Energy: 0.4342385287801096
Energy: 0.43405834712461144
Energy: 0.45863482266483624
Energy: 0.43415137780473095
Energy: 0.4534937408152697
Energy: 0.4128346329376212
Energy: 0.39545377774080054
Energy: 0.4129254462271397
Energy: 0.41245431802689136
Energy: 0.40883735103930374
Energy: 0.4074032632823025
Energy: 0.3817531513979816
Energy: 0.3824245911912728
Energy: 0.40748377412658077
Energy: 0.3813545171074769
Energy: 0.40177495997234436
Energy: 0.40795909385612833
Energy: 0.39570354791019363
Energy: 0.39639327847741046
Energy: 0.4086978263957689
Energy: 0.43062688903554514
Energy: 0.3956702417899842
Energy: 0.40810511291078916
Energy: 0.39599424471711026
Energy: 0.39539105436812017
Energy: 0.395148378718638
Energy: 0.4308095399706008
Energy: 0.3953084083752797
Energy: 0.4075420471384768
Energy: 0.43074959401454604
Energy: 0.39742173957980576
Energy: 0.3953211430082424
Energy: 0.4086882977976178
Energy: 0.39723412064464303
Energy: 0.41398738761386156
Energy: 0.4075156724630812
Energy: 0.4076901977928547
Energy: 0.3961330629715095
Energy: 0.4073873544577408
Energy: 0.407988527847815
Energy: 0.4140374906946684
Energy: 0.40814309571677276
Energy: 0.40788940784397165
Energy: 0.4091834142131895
Energy: 0.40879739716260266
Energy: 0.4082850636198667
Energy: 0.41222804226808846
Energy: 0.41257774910860473
Energy: 0.41244633322335006
Energy: 0.4125000036123469
Energy: 0.4128663696003019
Energy: 0.39522280954373024
Energy: 0.5124937881674414
Energy: 0.40837467724653026
Energy: 0.40855871871259897
Energy: 0.4554846433086331
Energy: 0.40875860915299905
Energy: 0.4262505046593508
Energy: 0.4569925399782453
Energy: 0.4125021529616764
Energy: 0.41239275725817004
Energy: 0.41283419033426777
Energy: 0.4127235654051767
Energy: 0.45222294586664247
Energy: 0.3805087487695386
Energy: 0.4085751672320855
Energy: 0.4342602799256218
Energy: 0.4341054101040372
Energy: 0.42661455359867456
Energy: 0.43425123958028716

minimum gb energy = 0.3801210994403327 eV
minimum distance =  2.65730719118713 Angstroms
sigma value = 17


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

Energy: 0.5992755886912734
Energy: 0.5526979471426801
Energy: 0.4803438817425907
Energy: 0.4014188301559373
Energy: 0.5553505405823547
Energy: 0.40176077703577123
Energy: 0.5241676208889222
Energy: 0.4208035851952109
Energy: 0.4194564430021681
Energy: 0.4899702692471569
Energy: 0.4203480396802004
Energy: 0.3932984469010836
Energy: 0.4973914932483788
Energy: 0.37697465561376337
Energy: 0.376924839830632
Energy: 0.46496197928744026
Energy: 0.37710315728853944
Energy: 0.3767621652904558
Energy: 0.42084860867765933
Energy: 0.3767705971769926
Energy: 0.37658956626892054
Energy: 0.42089111797608997
Energy: 0.4446084109185309
Energy: 0.4193601341478403
Energy: 0.3670719182789635
Energy: 0.4075697856652408
Energy: 0.40917397703660363
Energy: 0.36762991098391096
Energy: 0.4072668661057125
Energy: 0.4072866044269465
Energy: 0.3768724183726261
Energy: 0.36221041965268314
Energy: 0.3624002509921784
Energy: 0.34655292426245254
Energy: 0.36178560457933673
Energy: 0.3472807167937853
Energy: 0.40956144605848005
Energy: 0.3617106826624356
Energy: 0.36174211117894095
Energy: 0.4092681175748738
Energy: 0.363521347225062
Energy: 0.39766987503304807
Energy: 0.361762134583353
Energy: 0.36361738089066536
Energy: 0.3632258064150477
Energy: 0.39601741337479635
Energy: 0.36311299813957704
Energy: 0.3770102096140217
Energy: 0.36251920543639954
Energy: 0.4372804470270961
Energy: 0.3971152630825468
Energy: 0.3633619312675199
Energy: 0.3685442574129175
Energy: 0.36178798233994974
Energy: 0.36168994027024376
Energy: 0.36248106462281543
Energy: 0.36236547826197857
Energy: 0.36168884172575794
Energy: 0.362970500157256
Energy: 0.36229686987532794
Energy: 0.4246206177564942
Energy: 0.40989659540717865
Energy: 0.4099946865404358
Energy: 0.43751813191528605
Energy: 0.3927349912374931
Energy: 0.36289788479573937
Energy: 0.4817034577967608
Energy: 0.41924137309995196
Energy: 0.419115006308809
Energy: 0.36272891671971086
Energy: 0.41970285416821906
Energy: 0.41914979427395066
Energy: 0.43219981754294134
Energy: 0.4196923436858286
Energy: 0.4197258903048128
Energy: 0.40615207690782135
Energy: 0.4578961033487334
Energy: 0.4198423869515992
Energy: 0.4226412762883779
Energy: 0.419649412559171
Energy: 0.41998137607501984
Energy: 0.40098275599480215
Energy: 0.4517616186572889
Energy: 0.39260332958543337
Energy: 0.5546987505879688
Energy: 0.42025209614378384
Energy: 0.4411619766550361
Energy: 0.5541598096672268
Energy: 0.42053357936562574
Energy: 0.4410097122765141
Energy: 0.4201838020133333
Energy: 0.4514643085920369
Energy: 0.4196130178732648
Energy: 0.4508467065723366
Energy: 0.4908823516008766
Energy: 0.4194746463012168
Energy: 0.47510045830717273
Energy: 0.42590538783042864
Energy: 0.4619611051756491
Energy: 0.37687602082751703
Energy: 0.42596692641706213
Energy: 0.4618545019398236

minimum gb energy = 0.34655292426245254 eV
minimum distance =  2.61887638129784 Angstroms
sigma value = 17


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

Energy: 0.628327814916908
Energy: 0.5675589616417417
Energy: 0.4068511215031379
Energy: 0.40451481063454253
Energy: 0.5691593186047191
Energy: 0.4040900860552723
Energy: 0.5004786360116033
Energy: 0.40910130054429567
Energy: 0.41038936831359274
Energy: 0.47517337542532273
Energy: 0.4494303487784172
Energy: 0.39699011402191453
Energy: 0.4932774925858673
Energy: 0.33910893437014183
Energy: 0.3835062250770978
Energy: 0.4653155041007145
Energy: 0.33957007156799746
Energy: 0.383621056473044
Energy: 0.36952757744298964
Energy: 0.3835391331585269
Energy: 0.3834358577189783
Energy: 0.3851653618450878
Energy: 0.44452632437601947
Energy: 0.3835066883551993
Energy: 0.4183862922763019
Energy: 0.4071137490846103
Energy: 0.4088852609939228
Energy: 0.41909256448568616
Energy: 0.36249319079881037
Energy: 0.36408930852588367
Energy: 0.3836030424145021
Energy: 0.3619630025180362
Energy: 0.34018377122317606
Energy: 0.3397332977652775
Energy: 0.3621630455112484
Energy: 0.3393015639509285
Energy: 0.44090888813523843
Energy: 0.3652090623049507
Energy: 0.36200107312868485
Energy: 0.4343365560071482
Energy: 0.36279380010975526
Energy: 0.3538893613261104
Energy: 0.33371229740336283
Energy: 0.32625098037881506
Energy: 0.3339856022872641
Energy: 0.3787070231933408
Energy: 0.32625179593364795
Energy: 0.3338605009629343
Energy: 0.3346992426579046
Energy: 0.3334807038060245
Energy: 0.33294403801266476
Energy: 0.33413324946792883
Energy: 0.4293925136380546
Energy: 0.33316135888524134
Energy: 0.33334602160328425
Energy: 0.3684450419411574
Energy: 0.36900704417707497
Energy: 0.3333649644815202
Energy: 0.36765496852067675
Energy: 0.368500353919405
Energy: 0.37402885088792964
Energy: 0.3327282492347311
Energy: 0.3678297963340135
Energy: 0.3681631435503072
Energy: 0.3332717030670834
Energy: 0.369060529670736
Energy: 0.41946879093068706
Energy: 0.33334791034213956
Energy: 0.33323439815927874
Energy: 0.4203466236339852
Energy: 0.3358538317727275
Energy: 0.3327991041169049
Energy: 0.361531193167059
Energy: 0.375835526728855
Energy: 0.3339765334641506
Energy: 0.33408485577095287
Energy: 0.3761466313160331
Energy: 0.33338624010153256
Energy: 0.362089427686571
Energy: 0.37020706468498216
Energy: 0.3762924036194892
Energy: 0.3630230328118534
Energy: 0.387170913330577
Energy: 0.36182548009700843
Energy: 0.36187536126640163
Energy: 0.3331978031889353
Energy: 0.35196017551721537
Energy: 0.3618819667930468
Energy: 0.33412175302510005
Energy: 0.36180970067242296
Energy: 0.46893710800161603
Energy: 0.3992865440840906
Energy: 0.3618434118889607
Energy: 0.4344918712832478
Energy: 0.41921940419395787
Energy: 0.36346801444283566
Energy: 0.4341321314765383
Energy: 0.4237071492147173
Energy: 0.4237217088882666
Energy: 0.43505854682933054
Energy: 0.42352718653729615
Energy: 0.3613224252746345
Energy: 0.42050875807690297
Energy: 0.4237020040287797
Energy: 0.4237999178364761
Energy: 0.41964538078580627
Energy: 0.42355215498035587
Energy: 0.3618455471736246
Energy: 0.4180048513292758
Energy: 0.41959641162825084
Energy: 0.39766488658757915
Energy: 0.4606806089812284
Energy: 0.4630293981668587
Energy: 0.36733519275095444
Energy: 0.5472847327935771
Energy: 0.3627539717368766
Energy: 0.3825000455617447
Energy: 0.5477285762657488
Energy: 0.36215861706568875
Energy: 0.423382918378882
Energy: 0.4930823577200366
Energy: 0.4196101760413715
Energy: 0.41953387932011965
Energy: 0.4522544414994699
Energy: 0.44941524074552175
Energy: 0.4206454881728861
Energy: 0.4433289250871154
Energy: 0.42838920763287497
Energy: 0.4619762324273491
Energy: 0.38358955018008417
Energy: 0.42325047773139024
Energy: 0.38352593599268214
Energy: 0.44300834010924256
Energy: 0.4281737767761328
Energy: 0.4251823089447296
Energy: 0.4440244225800595
Energy: 0.42632984843173194
Energy: 0.4616649572604255
Energy: 0.4963327056103033
Energy: 0.3764173731785137
Energy: 0.3854445058292111
Energy: 0.4514372206284763
Energy: 0.44582166120647504
Energy: 0.4235152822395361
Energy: 0.4235171560658383
Energy: 0.3392013737468902
Energy: 0.3838355289330626
Energy: 0.42360188660216636
Energy: 0.3394917395331398
Energy: 0.38378098901887353
Energy: 0.37066932265118085
Energy: 0.40957756945109675
Energy: 0.3636116199240767
Energy: 0.41991185804662773
Energy: 0.40883322042867376
Energy: 0.39601035390906714
Energy: 0.3834451815542817
Energy: 0.36228790684007905
Energy: 0.36283241961829416
Energy: 0.3396908213613647
Energy: 0.3621405762721893
Energy: 0.3392377859968759
Energy: 0.4265456371732174
Energy: 0.3622006561671948
Energy: 0.3621685596563673
Energy: 0.42708935250899904
Energy: 0.36307155167752214
Energy: 0.3621699736948814
Energy: 0.33238212050318877
Energy: 0.37395552927522013
Energy: 0.37345782362755536
Energy: 0.37394655797022597
Energy: 0.3617430074903199
Energy: 0.37361827450258556
Energy: 0.3332984950746429
Energy: 0.3260632084172368
Energy: 0.33372963780934195
Energy: 0.3333540077740969
Energy: 0.3258932083907655
Energy: 0.33318195478897444
Energy: 0.3355176658454585
Energy: 0.3692054935313347
Energy: 0.36904120645864696
Energy: 0.33623995829484865
Energy: 0.3693641976189362
Energy: 0.33417080975016905
Energy: 0.3338548770995727
Energy: 0.36672081303454823
Energy: 0.3671320603467582
Energy: 0.378734413405793
Energy: 0.36764798844181185
Energy: 0.4081861851336963
Energy: 0.4204818511479014
Energy: 0.33585214388510337
Energy: 0.33311751404078527
Energy: 0.42131605506323067
Energy: 0.3343697587580931
Energy: 0.33317974253629123
Energy: 0.3614133483896747
Energy: 0.33397650421027103
Energy: 0.3339381845311262
Energy: 0.333794170989444
Energy: 0.33275269724686535
Energy: 0.33383498364298836
Energy: 0.36458946063168424
Energy: 0.4146321904458834
Energy: 0.4147340424940733
Energy: 0.36515242693078964
Energy: 0.4155277757692772
Energy: 0.41332314024267003
Energy: 0.3675730412351956
Energy: 0.33365352228653955
Energy: 0.36176119435491483
Energy: 0.36212130595669995
Energy: 0.33412307107087436
Energy: 0.36194092674969125
Energy: 0.44961025979062097
Energy: 0.36204929089668797
Energy: 0.3619747766107006
Energy: 0.42158082937593494
Energy: 0.42609581183744816
Energy: 0.36187556806356225
Energy: 0.4358894925386535
Energy: 0.42618424735846916
Energy: 0.42340720967594725
Energy: 0.466369110314854
Energy: 0.4251087210861853
Energy: 0.3985409497184805
Energy: 0.41863640957348874
Energy: 0.4554914026265154
Energy: 0.36332474037487184
Energy: 0.36161141132624325
Energy: 0.49979700892810613
Energy: 0.36239306731715853
Energy: 0.4630681632983781
Energy: 0.42377731612171143
Energy: 0.41960952368846377
Energy: 0.4476807832241817
Energy: 0.42570486288569026
Energy: 0.39575209875601786
Energy: 0.4654081595879605
Energy: 0.3618162939285194
Energy: 0.42321534565147645
Energy: 0.4663940981016954
Energy: 0.3619650799782773
Energy: 0.4234944215379212
Energy: 0.49477943531027696
Energy: 0.3971309970853011
Energy: 0.42328710592569474
Energy: 0.4508831343571433
Energy: 0.465363509913131
Energy: 0.42353489965014984
Energy: 0.4435494950977905
Energy: 0.42454196789933735
Energy: 0.4246495984217325
Energy: 0.4444300988669669
Energy: 0.4262534742962287
Energy: 0.461694310552927

minimum gb energy = 0.3258932083907655 eV
minimum distance =  2.59750446587514 Angstroms
sigma value = 57


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

Energy: 0.4183259444997527
Energy: 0.5458994785414948
Energy: 0.40254004335781773
Energy: 0.35638098323868017
Energy: 0.5474060793575662
Energy: 0.4038340122051094
Energy: 0.4799495578365883
Energy: 0.3821917930316066
Energy: 0.40441476907155754
Energy: 0.44387193934978064
Energy: 0.38599628030592575
Energy: 0.39325256865529135
Energy: 0.47760404822627
Energy: 0.33879560693001753
Energy: 0.33895385963230257
Energy: 0.45457765175547993
Energy: 0.3390047747130065
Energy: 0.38285712314445425
Energy: 0.4049627061733772
Energy: 0.3390420647399644
Energy: 0.38269028348713896
Energy: 0.36414109612734874
Energy: 0.38194026653441404
Energy: 0.38275178570883733
Energy: 0.36160435602026036
Energy: 0.3648030599269143
Energy: 0.36199648646268845
Energy: 0.3949699590918663
Energy: 0.37873744980262647
Energy: 0.3616965249933613
Energy: 0.3392628161556548
Energy: 0.36140191492192686
Energy: 0.3396914704088825
Energy: 0.31674228506841823
Energy: 0.36168661900298243
Energy: 0.339402419578905
Energy: 0.40856916293318624
Energy: 0.3646853765780685
Energy: 0.366543343555404
Energy: 0.4096729988072629
Energy: 0.36400090681590497
Energy: 0.36872738768396796
Energy: 0.41448260287656136
Energy: 0.31663065025282683
Energy: 0.3168422239586109
Energy: 0.34541355920076017
Energy: 0.3166849011921594
Energy: 0.3290437948566195
Energy: 0.33036001420658256
Energy: 0.3692385964883447
Energy: 0.3284053442419714
Energy: 0.33137826840480145
Energy: 0.372118022054515
Energy: 0.3285929890675191
Energy: 0.32859558864269256
Energy: 0.38556407907731105
Energy: 0.3845871727722638
Energy: 0.3285032832471464
Energy: 0.38764324811199424
Energy: 0.3663076956446128
Energy: 0.36133662878483486
Energy: 0.31374155542232174
Energy: 0.31425041067975135
Energy: 0.31521101434602977
Energy: 0.3142386551153149
Energy: 0.31453568410676325
Energy: 0.3927041824401129
Energy: 0.3181031763460455
Energy: 0.31385444377671234
Energy: 0.39356793098456244
Energy: 0.31861560596398597
Energy: 0.3152803266707787
Energy: 0.31320782094380756
Energy: 0.38304135016565344
Energy: 0.38050250261868546
Energy: 0.3766056973508355
Energy: 0.3834147007644481
Energy: 0.32688807283459703
Energy: 0.31412506058442713
Energy: 0.3510278688316054
Energy: 0.31369883202219784
Energy: 0.3149877349479052
Energy: 0.3890644284550549
Energy: 0.313959629728861
Energy: 0.3138743995139471
Energy: 0.3153967845784398
Energy: 0.31498827244890537
Energy: 0.3137164975758259
Energy: 0.3160835199581063
Energy: 0.3149905552130773
Energy: 0.42053559725965634
Energy: 0.32856636228662395
Energy: 0.3616318263999798
Energy: 0.388751027652986
Energy: 0.333990054352069
Energy: 0.3847279055290593
Energy: 0.37352586373193464
Energy: 0.33472741971893616
Energy: 0.3285659627947559
Energy: 0.3981354774353364
Energy: 0.332701244918837
Energy: 0.3286750418143368
Energy: 0.39311510745789485
Energy: 0.32890271495429846
Energy: 0.3285273157499188
Energy: 0.3756658277188223
Energy: 0.3492466920315986
Energy: 0.3283336134805047
Energy: 0.36134564575157635
Energy: 0.3709686176987211
Energy: 0.3623315181848686
Energy: 0.36231488176474375
Energy: 0.414983042504492
Energy: 0.3613606104089236
Energy: 0.36099556823107254
Energy: 0.3283079841052685
Energy: 0.3291604526907442
Energy: 0.3611072735359167
Energy: 0.3289994603633886
Energy: 0.3610477532201387
Energy: 0.45665774679927496
Energy: 0.3650742196675144
Energy: 0.3680993782824052
Energy: 0.42673349715072645
Energy: 0.37516850579220457
Energy: 0.3632288926078105
Energy: 0.3958922166475262
Energy: 0.41792891766435813
Energy: 0.36132966795418975
Energy: 0.32833595084277706
Energy: 0.4230875218773989
Energy: 0.361293737732614
Energy: 0.4099029206920383
Energy: 0.42172359744813426
Energy: 0.41764465738437895
Energy: 0.4106349178312885
Energy: 0.42091880345789706
Energy: 0.41769723723184865
Energy: 0.4618143313013769
Energy: 0.3687617178979293
Energy: 0.38207770664184726
Energy: 0.4141662571280508
Energy: 0.4457297241011241
Energy: 0.3677515551854693
Energy: 0.4804150721399806
Energy: 0.36124498544060374
Energy: 0.36130848896152395
Energy: 0.481092187509134
Energy: 0.36136977431720313
Energy: 0.41771694164347084
Energy: 0.47234300747867075
Energy: 0.4187836321948348
Energy: 0.4134068955277771
Energy: 0.4396788779192725
Energy: 0.4412716945693333
Energy: 0.3923182060774157
Energy: 0.39610476760925384
Energy: 0.41770172093086616
Energy: 0.38279828902319885
Energy: 0.3391731845651231
Energy: 0.44960044880766586
Energy: 0.38303521391418754

minimum gb energy = 0.31320782094380756 eV
minimum distance =  2.62679056258231 Angstroms
sigma value = 43


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

Energy: 0.37721712069067154
Energy: 0.4491046001766709
Energy: 0.3788072390897793
Energy: 0.318912814962876
Energy: 0.4507024457004767
Energy: 0.341350348972965
Energy: 0.4208693163199517
Energy: 0.34030049203033164
Energy: 0.3400040957280463
Energy: 0.3944762617239065
Energy: 0.3573387551539064
Energy: 0.33937865344714224
Energy: 0.4293684889626623
Energy: 0.29742803853932
Energy: 0.3203923035056137
Energy: 0.38281211414406563
Energy: 0.298186919722742
Energy: 0.32036996259061
Energy: 0.3711115336686421
Energy: 0.32046581379982614
Energy: 0.3204008794085037
Energy: 0.34051208316086357
Energy: 0.33991671394523276
Energy: 0.3561785069700058
Energy: 0.3524447451171409
Energy: 0.3385071597234567
Energy: 0.33828198881906846
Energy: 0.3525160574823836
Energy: 0.352961649526403
Energy: 0.3384875787777573
Energy: 0.2986094097459074
Energy: 0.33835032941419013
Energy: 0.32063162447859217
Energy: 0.2855169983069984
Energy: 0.33824312678712604
Energy: 0.29743406750653206
Energy: 0.4006108815967884
Energy: 0.3371896189956934
Energy: 0.3374022392808496
Energy: 0.3699245430990498
Energy: 0.3581521312065213
Energy: 0.3111192161941097
Energy: 0.3792109905685736
Energy: 0.2829835317435514
Energy: 0.29746742341058185
Energy: 0.31054350295181704
Energy: 0.282948709893906
Energy: 0.29735518014574663
Energy: 0.3107010275330048
Energy: 0.2972867295720153
Energy: 0.308911634009406
Energy: 0.31137684002570687
Energy: 0.33780201778441676
Energy: 0.3089289497892968
Energy: 0.3273244133388392
Energy: 0.3236440523577457
Energy: 0.29345760232168316
Energy: 0.32760128180913156
Energy: 0.3184093028148399
Energy: 0.2934516008812219
Energy: 0.3146819160186466
Energy: 0.29038289329582195
Energy: 0.2910556665800918
Energy: 0.27683040771302914
Energy: 0.2904681042712034
Energy: 0.28318479426592846
Energy: 0.3597678688106988
Energy: 0.29050961362126937
Energy: 0.2904256319231907
Energy: 0.36009389812090703
Energy: 0.290655896653845
Energy: 0.28047039581445626
Energy: 0.35916711094116405
Energy: 0.2754721229534384
Energy: 0.2800891842174868
Energy: 0.3078652556035135
Energy: 0.2762871214676179
Energy: 0.2795567357006533
Energy: 0.2798592591682981
Energy: 0.3289485115474697
Energy: 0.2792737614950234
Energy: 0.28088394610464124
Energy: 0.32904004310541557
Energy: 0.279358070533731
Energy: 0.27912558896941714
Energy: 0.30565857170940275
Energy: 0.3262481337742396
Energy: 0.27906595652262695
Energy: 0.2992569654423472
Energy: 0.3265782400784997
Energy: 0.312193038112387
Energy: 0.2740611455350616
Energy: 0.2740987973463416
Energy: 0.2749531052218041
Energy: 0.27429425929665935
Energy: 0.33135166618025935
Energy: 0.3346705076006816
Energy: 0.2741254872652512
Energy: 0.2739521263650287
Energy: 0.33566481942653104
Energy: 0.27421426861188375
Energy: 0.33006205517147774
Energy: 0.2737885395982924
Energy: 0.3250044235845207
Energy: 0.32564135374574416
Energy: 0.27423693110868025
Energy: 0.3175011281816591
Energy: 0.3258683375220324
Energy: 0.2740601623450678
Energy: 0.32662337620080656
Energy: 0.27399206703988116
Energy: 0.27531199737441425
Energy: 0.3298911747447141
Energy: 0.2741535682563715
Energy: 0.2743742506663991
Energy: 0.30259957525537384
Energy: 0.3271668601072551
Energy: 0.27421597613938753
Energy: 0.27606408894620943
Energy: 0.3275064968640185
Energy: 0.34532070225406464
Energy: 0.2794202137305687
Energy: 0.27914687932860127
Energy: 0.3404244712014042
Energy: 0.2795297180980569
Energy: 0.3339969995129131
Energy: 0.32908270130447864
Energy: 0.2793180012027372
Energy: 0.27917350716669637
Energy: 0.28018439922646016
Energy: 0.27947210391365135
Energy: 0.28032388213353887
Energy: 0.2902852448251323
Energy: 0.28088816063563704
Energy: 0.2824947431097374
Energy: 0.29028246592503354
Energy: 0.3079452541814131
Energy: 0.2923198165528373
Energy: 0.2908837653476795
Energy: 0.3347538795002966
Energy: 0.290367745085043
Energy: 0.29192336052899964
Energy: 0.33407138831660815
Energy: 0.29052092705587057
Energy: 0.3674533582510608
Energy: 0.2800212612043615
Energy: 0.2908520817482988
Energy: 0.291811605441931
Energy: 0.28017262079890953
Energy: 0.2905561505937054
Energy: 0.37977796460120555
Energy: 0.3091553835763551
Energy: 0.3090362689914544
Energy: 0.345476276626694
Energy: 0.3092849536031223
Energy: 0.29211924439567427
Energy: 0.32208992015145804
Energy: 0.30887010909532947
Energy: 0.30894023744370636
Energy: 0.2800032242942206
Energy: 0.30905141070549114
Energy: 0.2906705436396982
Energy: 0.3450952040965395
Energy: 0.30932316571341273
Energy: 0.30913941994228067
Energy: 0.34514905434169024
Energy: 0.334866708045843
Energy: 0.30941645922180755
Energy: 0.34051436195409823
Energy: 0.30920682924212517
Energy: 0.3383236940429201
Energy: 0.341172585255369
Energy: 0.34511680364007336
Energy: 0.3383543020185448
Energy: 0.3988595779216521
Energy: 0.2905459128744703
Energy: 0.30911504580421684
Energy: 0.33843101309700097
Energy: 0.29057177024891173
Energy: 0.30920508503139993
Energy: 0.4123503712855065
Energy: 0.33861331833213576
Energy: 0.3404156542950582
Energy: 0.3542088640688609
Energy: 0.35704191852785117
Energy: 0.3372068223116368
Energy: 0.3098577720075498
Energy: 0.38297971555772437
Energy: 0.33831336145738733
Energy: 0.29081218838294776
Energy: 0.3830273643417803
Energy: 0.3091102746810858
Energy: 0.3645572333385464
Energy: 0.3831960665017136
Energy: 0.37947395901123143
Energy: 0.36472011186479686
Energy: 0.38477036784283103
Energy: 0.38325963485658476
Energy: 0.39634558216388666
Energy: 0.3370873347041591
Energy: 0.33698565535327674
Energy: 0.394899721636644
Energy: 0.3572197489282982
Energy: 0.3824375502129437
Energy: 0.42900342435965183
Energy: 0.30924098260025035
Energy: 0.33692262263884554
Energy: 0.4120612092377273
Energy: 0.3093768161067367
Energy: 0.33708142422786
Energy: 0.42141722303525575
Energy: 0.37890712132293747
Energy: 0.37823049633008643
Energy: 0.3940393128372749
Energy: 0.4027631589377964
Energy: 0.34003183294149164

minimum gb energy = 0.2737885395982924 eV
minimum distance =  2.59225919218156 Angstroms
sigma value = 81


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

Energy: 0.182871889087787
Energy: 0.25003123520202575
Energy: 0.07328931494994584
Energy: 0.07446823254732979
Energy: 0.28358613792377124
Energy: 0.18301217016652488
Energy: 0.300501698955824
Energy: 0.29740236508382834
Energy: 0.28234436949288333
Energy: 0.3147791258544938
Energy: 0.28360963815522316
Energy: 0.2759460777534822
Energy: 0.2971864965584979
Energy: 0.07316277965990785
Energy: 0.07316636017432929
Energy: 0.31610323830526965
Energy: 0.07313795339143267
Energy: 0.096660027241903
Energy: 0.29806336963275587
Energy: 0.07317794121121032
Energy: 0.07342286682683967
Energy: 0.3091034428725908
Energy: 0.07319125378124346
Energy: 0.09540045808322611
Energy: 0.09516194483005187
Energy: 0.3208041870259711
Energy: 0.32150261697263866
Energy: 0.09564003746026511
Energy: 0.3212376149816879
Energy: 0.3208246365950657
Energy: 0.07338033647060867
Energy: 0.3008939724449476
Energy: 0.07325777851378096
Energy: 0.07480292988139015
Energy: 0.3007018240990671
Energy: 0.07316763826866908
Energy: 0.31560571876745624
Energy: 0.3018873020412355
Energy: 0.3010681186657781
Energy: 0.32511888388171006
Energy: 0.301411526217464
Energy: 0.31607245899515046
Energy: 0.3156938513663614
Energy: 0.07310626014714322
Energy: 0.07335530937968386
Energy: 0.3261921647108956
Energy: 0.07305176886799013
Energy: 0.0733766045677537
Energy: 0.278557121523681
Energy: 0.0733361193680245
Energy: 0.09692514137176388
Energy: 0.2992476412669111
Energy: 0.07319734477296196
Energy: 0.09618074054195547
Energy: 0.18314176698835555
Energy: 0.3180202204282612
Energy: 0.30059203790519723
Energy: 0.07340026654557548
Energy: 0.3001407817937078
Energy: 0.3170533209636283

minimum gb energy = 0.07305176886799013 eV
minimum distance =  2.5853221264061 Angstroms
sigma value = 3


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

Energy: 0.36939120974077705
Energy: 0.3940956159442422
Energy: 0.3783919791846208
Energy: 0.3296042713721478
Energy: 0.39381550883436495
Energy: 0.37409553280165797
Energy: 0.40012744897739616
Energy: 0.3870057312814516
Energy: 0.38545204873859007
Energy: 0.38207403030681086
Energy: 0.38340550752551666
Energy: 0.38523569487683423
Energy: 0.3906838083435743
Energy: 0.34623351841642674
Energy: 0.36196470578033857
Energy: 0.3908278062325419
Energy: 0.34557459879957
Energy: 0.3775698482590313
Energy: 0.3537266404336407
Energy: 0.35994876166578377
Energy: 0.3621647942263896
Energy: 0.35349353262682853
Energy: 0.35723825215420335
Energy: 0.3775322477062085
Energy: 0.3197874405787652
Energy: 0.3847587563475484
Energy: 0.384658258100157
Energy: 0.3198473163993979
Energy: 0.38645232362158166
Energy: 0.3846347512721691
Energy: 0.29612172886003774
Energy: 0.378808656001111
Energy: 0.36311677216240784
Energy: 0.3186807801500111
Energy: 0.37909569079124394
Energy: 0.350177861443261
Energy: 0.37877569888119894
Energy: 0.32060883693683123
Energy: 0.3503819361289924
Energy: 0.35045758255627635
Energy: 0.32061312608847975
Energy: 0.3544454383000844
Energy: 0.3629326212284135
Energy: 0.31768638967827006
Energy: 0.3502482739804076
Energy: 0.36353669253193344
Energy: 0.3009533742318937
Energy: 0.33457724495420116
Energy: 0.36876677020442933
Energy: 0.35003613940214884
Energy: 0.36735325836273375
Energy: 0.3639147436310232
Energy: 0.29614276681102214
Energy: 0.3631908256220928
Energy: 0.29652675880399054
Energy: 0.32123353465376153
Energy: 0.3213905916912519
Energy: 0.2965527825216881
Energy: 0.32171382038177515
Energy: 0.33399083466677876
Energy: 0.28129622510286256
Energy: 0.35087781924173134
Energy: 0.3507574612909458
Energy: 0.3031042792054068
Energy: 0.359455624263189
Energy: 0.33593038140749476
Energy: 0.29655274100794377
Energy: 0.3399047781855587
Energy: 0.3523674990071975
Energy: 0.2965436166218081
Energy: 0.33583138623379777
Energy: 0.29656572430269934
Energy: 0.3006011857953145
Energy: 0.29345132131184876
Energy: 0.35113549283328926
Energy: 0.29844937088447593
Energy: 0.2933632878924581
Energy: 0.2984664386100626
Energy: 0.3513796823328705
Energy: 0.33769601989550846
Energy: 0.3362359935715409
Energy: 0.31404865985592234
Energy: 0.28154742107116915
Energy: 0.3378031065441612
Energy: 0.3451288021556709
Energy: 0.28159319049451814
Energy: 0.28152827721288326
Energy: 0.3423848533487792
Energy: 0.2836286757478763
Energy: 0.28156988504119707
Energy: 0.27467797465793087
Energy: 0.3310932905082688
Energy: 0.3298765835158533
Energy: 0.29379469966558913
Energy: 0.30700548466996747
Energy: 0.330398057531696
Energy: 0.27688679898052276
Energy: 0.2998137408937498
Energy: 0.2748465371384542
Energy: 0.2745266392495922
Energy: 0.29964628835470997
Energy: 0.2745081786363501
Energy: 0.27430283499639635
Energy: 0.2930143104599617
Energy: 0.27547774039329515
Energy: 0.2746102180294055
Energy: 0.2937075682620395
Energy: 0.275248702182983
Energy: 0.3383397728154046
Energy: 0.27545832895353245
Energy: 0.3263017585210057
Energy: 0.2940587048769413
Energy: 0.2752716967602004
Energy: 0.32614483668345146
Energy: 0.3380949119006855
Energy: 0.2743337491950229
Energy: 0.2740986573333623
Energy: 0.33928012967502336
Energy: 0.2764101559491766
Energy: 0.2741256846179012
Energy: 0.2825997604675789
Energy: 0.31662964545104777
Energy: 0.33021591655450006
Energy: 0.2994986596588993
Energy: 0.2935456398328945
Energy: 0.3288775542531499
Energy: 0.2831166766984512
Energy: 0.2940198462436001
Energy: 0.30611082087911307
Energy: 0.2839146985962942
Energy: 0.29379873990608546
Energy: 0.2821618733726967
Energy: 0.2813595857488495
Energy: 0.336788817976282
Energy: 0.33660406292812983
Energy: 0.28144796201788286
Energy: 0.31332366929001726
Energy: 0.3370838458380012
Energy: 0.27604776557566374
Energy: 0.29868236148453786
Energy: 0.29839631297392083
Energy: 0.296885998821431
Energy: 0.29854518226887505
Energy: 0.3122968296218207
Energy: 0.3201622841553389
Energy: 0.29655144640865555
Energy: 0.29650841032194214
Energy: 0.35318077036750206
Energy: 0.2966334650691272
Energy: 0.29657770097219843
Energy: 0.36326438084357415
Energy: 0.3071241360049456
Energy: 0.3412793406172705
Energy: 0.3429458518046668
Energy: 0.2951700276392034
Energy: 0.3506490136433737
Energy: 0.3240256931389702
Energy: 0.3415500854906101
Energy: 0.3414538873560795
Energy: 0.3249901294500166
Energy: 0.3411386208263657
Energy: 0.334452321221463
Energy: 0.3058943359969243
Energy: 0.36884111165558625
Energy: 0.3609415534544711
Energy: 0.3059047251019087
Energy: 0.36675132346329836
Energy: 0.3607812895616649
Energy: 0.2863167218014126
Energy: 0.3554758821864807
Energy: 0.3506790034966803
Energy: 0.3083471295477089
Energy: 0.35409635739662426
Energy: 0.3265028986249799
Energy: 0.35937212623467074
Energy: 0.3508771511242414
Energy: 0.35519452792986095
Energy: 0.3594112506606054
Energy: 0.35112831143713813
Energy: 0.35462938963929674
Energy: 0.397744982007227
Energy: 0.3281713309787836
Energy: 0.3585518779773166
Energy: 0.37929859407118516
Energy: 0.30667570263281513
Energy: 0.35903148558227366
Energy: 0.4012642370887663
Energy: 0.3583788246654174
Energy: 0.3649920463163881
Energy: 0.3830463221171141
Energy: 0.3055592632185738
Energy: 0.3844446842719339
Energy: 0.33361050712291235
Energy: 0.35233155199957067
Energy: 0.38508434653150736
Energy: 0.3336672907774428
Energy: 0.35413118162785
Energy: 0.36352697222883007

minimum gb energy = 0.2740986573333623 eV
minimum distance =  2.62930908873279 Angstroms
sigma value = 67


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

Energy: 0.4962637248947041
Energy: 0.4551692095306561
Energy: 0.42994937362919683
Energy: 0.3596876663581608
Energy: 0.49651129172809
Energy: 0.4325049872447927
Energy: 0.4620170539262742
Energy: 0.4327761949122244
Energy: 0.4328829776615948
Energy: 0.4304259868310051
Energy: 0.4318599598841345
Energy: 0.433235907814038
Energy: 0.43872982453457415
Energy: 0.37803961047500556
Energy: 0.4330088937195304
Energy: 0.4345596899906702
Energy: 0.3819941302641371
Energy: 0.43111537934472316
Energy: 0.43401691255507546
Energy: 0.4302743040045591
Energy: 0.43121905070344085
Energy: 0.434450308008937
Energy: 0.38552078881365487
Energy: 0.43158590040814426
Energy: 0.3895212190863695
Energy: 0.43465007047349496
Energy: 0.4359118236970972
Energy: 0.38940366812630256
Energy: 0.44483519233354507
Energy: 0.43236481477030625
Energy: 0.4009045026635023
Energy: 0.4343282996155868
Energy: 0.40733540420897923
Energy: 0.37806990019398595
Energy: 0.43441701304156105
Energy: 0.4044286098524756
Energy: 0.3889137804753981
Energy: 0.3932961185214837
Energy: 0.3908681209744346
Energy: 0.3926975248860033
Energy: 0.39415080435584626
Energy: 0.39162964227441716
Energy: 0.3924000094173855
Energy: 0.35155284851098173
Energy: 0.3614433324110413
Energy: 0.393226275827904
Energy: 0.35469226280498534
Energy: 0.3939405531032822
Energy: 0.4068868262402755
Energy: 0.40352354102626775
Energy: 0.4077775409057704
Energy: 0.407480179880246
Energy: 0.3462735191966987
Energy: 0.40702694685490576
Energy: 0.3671832295503346
Energy: 0.3493464614609207
Energy: 0.34637298896499413
Energy: 0.3679103840466319
Energy: 0.3485213135377439
Energy: 0.3466662210620597
Energy: 0.3247259395631825
Energy: 0.3832917647570423
Energy: 0.38236701249604277
Energy: 0.3535656389824341
Energy: 0.3672100417363925
Energy: 0.3832378728378013
Energy: 0.3289914692015757
Energy: 0.3742938345147782
Energy: 0.32502780314602153
Energy: 0.32782279129647085
Energy: 0.3681169895951803
Energy: 0.32548090299055904
Energy: 0.32825718516125996
Energy: 0.3536213052961443
Energy: 0.3254183100028163
Energy: 0.3272436787105567
Energy: 0.35071490573759095
Energy: 0.3251174631022901
Energy: 0.32801782455014755
Energy: 0.3761476344443696
Energy: 0.3737397078644786
Energy: 0.35039982621445603
Energy: 0.3250458419749444
Energy: 0.37423232821108876
Energy: 0.3916043211212541
Energy: 0.3277496283365483
Energy: 0.3253914753052227
Energy: 0.3925244552921565
Energy: 0.3274058504075428
Energy: 0.32496646409221075
Energy: 0.3725607129054175
Energy: 0.38649200945495643
Energy: 0.3820613186635963
Energy: 0.36950282972544873
Energy: 0.32532920790182207
Energy: 0.38079482137174575
Energy: 0.34711925468020366
Energy: 0.3446730687980841
Energy: 0.35398699834578207
Energy: 0.3480001235793281
Energy: 0.3484822530225317
Energy: 0.346827961741626
Energy: 0.3469675371160173
Energy: 0.4054564530553264
Energy: 0.407089812885129
Energy: 0.34700873232306734
Energy: 0.402071642630025
Energy: 0.3462065589232948
Energy: 0.394204477637838
Energy: 0.40558869373726797
Energy: 0.3778669817917708
Energy: 0.35921992259229013
Energy: 0.40777043426944504
Energy: 0.38054901786543477
Energy: 0.3937559264741299
Energy: 0.3930376686523219
Energy: 0.39426694531986656
Energy: 0.3935162352150171
Energy: 0.4041524039260623
Energy: 0.39165599894105463
Energy: 0.4445851649813255
Energy: 0.39570890499590805
Energy: 0.4199526179662333
Energy: 0.435048121727979
Energy: 0.35782271022740053
Energy: 0.42536230772415523
Energy: 0.43881499380064587
Energy: 0.35859684646024836
Energy: 0.43986180208478903
Energy: 0.43445405176781293
Energy: 0.3636691426104161
Energy: 0.4243987809984458
Energy: 0.4142006943993493
Energy: 0.43306580524159355
Energy: 0.43241355005206045
Energy: 0.4115855700417936
Energy: 0.43197799838988016
Energy: 0.4221186641842286

minimum gb energy = 0.3247259395631825 eV
minimum distance =  2.62890143343313 Angstroms
sigma value = 33


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

Energy: 0.5590080373482493
Energy: 0.49578203231816337
Energy: 0.48434613824040484
Energy: 0.4085008236381144
Energy: 0.4955454738553763
Energy: 0.44321344967212395
Energy: 0.4851552419549238
Energy: 0.4489115556259658
Energy: 0.4521568255315307
Energy: 0.45117103503005385
Energy: 0.45029028117347425
Energy: 0.4518572519950317
Energy: 0.4663463445313628
Energy: 0.44513687121597284
Energy: 0.45278926903480055
Energy: 0.45043054639796987
Energy: 0.4450294440541081
Energy: 0.44802874134419396
Energy: 0.4494683922042314
Energy: 0.4446679874645226
Energy: 0.4484407547271724
Energy: 0.45049372279417177
Energy: 0.444454321705992
Energy: 0.44841530405024244
Energy: 0.39848343581057044
Energy: 0.45253739636850543
Energy: 0.4508686455338238
Energy: 0.39901804172235444
Energy: 0.44992516504810554
Energy: 0.44957626744670975
Energy: 0.3562184591758712
Energy: 0.45003313557230484
Energy: 0.4508516170056323
Energy: 0.39494260671324893
Energy: 0.4627787833804668
Energy: 0.407959671949452
Energy: 0.3985185764415088
Energy: 0.4503416594061727
Energy: 0.4333311019901646
Energy: 0.3987525422423564
Energy: 0.45020647012641823
Energy: 0.40266488467455297
Energy: 0.39663346666915306
Energy: 0.3936085147624269
Energy: 0.39416032309725174
Energy: 0.39744139684355695
Energy: 0.3964826763173628
Energy: 0.39886165508503074
Energy: 0.40647333177884937
Energy: 0.41878020988203724
Energy: 0.41497868705521207
Energy: 0.41379923039838207
Energy: 0.3556234937567403
Energy: 0.41283604390105944
Energy: 0.4228577330357329
Energy: 0.35632208721708203
Energy: 0.3558283698020739
Energy: 0.42443833275164516
Energy: 0.3569008307776334
Energy: 0.3555705362129761
Energy: 0.3854441150237254
Energy: 0.40139793740556595
Energy: 0.39844586057061154
Energy: 0.38822042859237943
Energy: 0.35558977170666933
Energy: 0.39783155348928945
Energy: 0.35693031397037567
Energy: 0.38780301218435986
Energy: 0.3767267749566284
Energy: 0.35773208423110736
Energy: 0.3930146178143433
Energy: 0.3554285111452285
Energy: 0.35579387408683755
Energy: 0.41909087726984284
Energy: 0.3567403627287629
Energy: 0.3556041845807577
Energy: 0.41522053382238566
Energy: 0.3563642554378018
Energy: 0.34508519839747764
Energy: 0.4133150140126625
Energy: 0.4137585613513053
Energy: 0.3810027090270865
Energy: 0.40667156854825115
Energy: 0.3948440497954429
Energy: 0.39134414648183896
Energy: 0.4026701284990666
Energy: 0.4014335640400551
Energy: 0.39133434472278006
Energy: 0.40003090771912275
Energy: 0.3990334312406307
Energy: 0.45301188305735934
Energy: 0.42743158665888686
Energy: 0.42859097853485306
Energy: 0.4492686860734803
Energy: 0.36624439949486653
Energy: 0.4502159786603924
Energy: 0.46696722876493
Energy: 0.40764696265712047
Energy: 0.407754018585308
Energy: 0.46741035094193617
Energy: 0.4105668059818325
Energy: 0.4287390042394715
Energy: 0.4859837518717292
Energy: 0.450330277194995
Energy: 0.45115064938757127
Energy: 0.45014534159511976
Energy: 0.45061527152599945
Energy: 0.4316452669018883
Energy: 0.36653062304948886
Energy: 0.44980339507295036
Energy: 0.4647564593151023
Energy: 0.4093748055930762
Energy: 0.4500056138800026
Energy: 0.43037389840817003
Energy: 0.42982084576116875
Energy: 0.44934840019362454
Energy: 0.4516981434508903
Energy: 0.43011570509502156
Energy: 0.450333878188972
Energy: 0.45196323523155574
Energy: 0.46605592276940233
Energy: 0.4447161029547083
Energy: 0.4536777357411349
Energy: 0.4506845966901686
Energy: 0.4544595369790615
Energy: 0.44818659830778634
Energy: 0.40600044114252853
Energy: 0.44466969548537133
Energy: 0.4484333471439982
Energy: 0.45029959684240706
Energy: 0.44489377585974665
Energy: 0.44839649377961394
Energy: 0.39869780338403715
Energy: 0.45221931923439135
Energy: 0.45068868380666793
Energy: 0.39897370951113525
Energy: 0.46303399129866946
Energy: 0.4498873009974665
Energy: 0.35665863748193044
Energy: 0.4495556048507584
Energy: 0.4499071398441193
Energy: 0.39633786679414257
Energy: 0.4570725663108132
Energy: 0.4246764695475021
Energy: 0.39858023477961857
Energy: 0.44997400708334867
Energy: 0.45139544845627555
Energy: 0.3988105547996137
Energy: 0.44881559246137837
Energy: 0.39839773265607004
Energy: 0.39740792966088384
Energy: 0.39377003404050265
Energy: 0.39400999633266465
Energy: 0.39721668764126167
Energy: 0.3936412235805957
Energy: 0.39880490418338616
Energy: 0.4139550580622736
Energy: 0.39477489261926546
Energy: 0.4155258783419968
Energy: 0.4183368028076178
Energy: 0.38852683171386804
Energy: 0.41301939891645556
Energy: 0.42282293620595857
Energy: 0.35636189013981495
Energy: 0.35596463157023406
Energy: 0.4192059337482825
Energy: 0.3575779398941896
Energy: 0.35579701868359426
Energy: 0.38543149993868414
Energy: 0.3813071607475134
Energy: 0.40073706449418767
Energy: 0.3878213693105164
Energy: 0.3553187082403215
Energy: 0.39971286893815167
Energy: 0.35502852038780297
Energy: 0.37722185364370214
Energy: 0.3550177072422907
Energy: 0.3550515230085817
Energy: 0.39811409966965894
Energy: 0.35514512563432726
Energy: 0.3584991352954284
Energy: 0.4196957306417388
Energy: 0.356307159867367
Energy: 0.3592478462618754
Energy: 0.4158005976223259
Energy: 0.3563595699269304
Energy: 0.3453624118888344
Energy: 0.4156630804293743
Energy: 0.4153477625029632
Energy: 0.382072850036515
Energy: 0.4128392996259419
Energy: 0.4009045955574753
Energy: 0.39148171279823596
Energy: 0.3985273430119026
Energy: 0.40178073331213454
Energy: 0.3921571716943794
Energy: 0.3998398764547278
Energy: 0.39863685662670495
Energy: 0.44302224978734894
Energy: 0.4108098632042329
Energy: 0.4499449516315006
Energy: 0.4487668097215214
Energy: 0.3658456023131517
Energy: 0.45048339347149036
Energy: 0.46667532407426904
Energy: 0.4075037083782071
Energy: 0.40770743301885437
Energy: 0.46356085944493974
Energy: 0.3791925201951789
Energy: 0.42910436023133014
Energy: 0.4898687594002292
Energy: 0.45052570357191646
Energy: 0.4346779108487639
Energy: 0.4505081439581242
Energy: 0.45053846833801575
Energy: 0.43428856352307577
Energy: 0.3662444494079996
Energy: 0.4498466460573799
Energy: 0.46502291474601853
Energy: 0.4093096434606523
Energy: 0.4502824351728933
Energy: 0.42917715782218174

minimum gb energy = 0.34508519839747764 eV
minimum distance =  2.61797457111049 Angstroms
sigma value = 41


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

Energy: 0.5238744473166899
Energy: 0.5996018735250666
Energy: 0.5486538305993277
Energy: 0.44406910332880645
Energy: 0.6015344220316009
Energy: 0.5055576387517119
Energy: 0.4954445596658333
Energy: 0.4700753644086438
Energy: 0.4532318786020789
Energy: 0.4653633180267947
Energy: 0.46717996743076007
Energy: 0.45142968312345183
Energy: 0.5938824236797148
Energy: 0.47863001101341185
Energy: 0.4654748777306561
Energy: 0.5945601549981218
Energy: 0.4740711334373797
Energy: 0.46196999842021974
Energy: 0.4739188097421855
Energy: 0.4854757796925982
Energy: 0.4659051111644582
Energy: 0.4639971477787358
Energy: 0.47602078709453133
Energy: 0.4633128284419121
Energy: 0.4097666217796413
Energy: 0.4685255073521165
Energy: 0.4519139682356987
Energy: 0.41026480114111163
Energy: 0.46563146386665716
Energy: 0.45506308956552965
Energy: 0.434398736923026
Energy: 0.4663730883886816
Energy: 0.478308305873062
Energy: 0.44141515951296384
Energy: 0.47889476606314657
Energy: 0.4757516269269013
Energy: 0.4100277264710617
Energy: 0.4689279088856402
Energy: 0.40334307913028394
Energy: 0.4101483418844657
Energy: 0.4720453462974806
Energy: 0.40229483737830085
Energy: 0.4095645437789962
Energy: 0.4283954789643196
Energy: 0.4160724278003303
Energy: 0.41033622541514514
Energy: 0.442430604844845
Energy: 0.409946092332811
Energy: 0.4573218993999305
Energy: 0.44061494126482215
Energy: 0.43896429916600044
Energy: 0.4166928786136889
Energy: 0.4240945537253013
Energy: 0.43935315099136724
Energy: 0.4296627621580726
Energy: 0.41121235426328034
Energy: 0.4020866292082987
Energy: 0.4520942854794317
Energy: 0.41153661145988435
Energy: 0.4199481099170896
Energy: 0.4790496174740447
Energy: 0.4166667695370741
Energy: 0.4019085322293217
Energy: 0.46638164227180395
Energy: 0.38845627913506536
Energy: 0.47268094667381055
Energy: 0.4795683866425528
Energy: 0.4403346612821195
Energy: 0.4382647724449449
Energy: 0.4800322425186662
Energy: 0.4420368862267436
Energy: 0.43787884602890864
Energy: 0.49522876409519356
Energy: 0.4707892016734358
Energy: 0.4064943746594453
Energy: 0.4687367408769611
Energy: 0.4854674717155909
Energy: 0.40604107408715034
Energy: 0.38927679868785897
Energy: 0.46426086968470054
Energy: 0.4883037361690305
Energy: 0.440778509361665
Energy: 0.47563215616942256
Energy: 0.5032337928083148

minimum gb energy = 0.38845627913506536 eV
minimum distance =  2.60474044621873 Angstroms
sigma value = 11


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

Energy: 0.6317294614485831
Energy: 0.5463912993587902
Energy: 0.5867139719582098
Energy: 0.477810838652509
Energy: 0.6464119946563127
Energy: 0.5438655330977105
Energy: 0.5774208995242324
Energy: 0.47011027209291856
Energy: 0.4727877681588821
Energy: 0.49333016558663767
Energy: 0.47089092213618017
Energy: 0.477184104638369
Energy: 0.5619420015897555
Energy: 0.5134344550236684
Energy: 0.5138806302006801
Energy: 0.5624376775801786
Energy: 0.5130848919414531
Energy: 0.5204525288675099
Energy: 0.509787653529801
Energy: 0.5151404743686132
Energy: 0.5186537775153551
Energy: 0.511946096170595
Energy: 0.5155570425012042
Energy: 0.5187082528331665
Energy: 0.4977684512622571
Energy: 0.46690807537506496
Energy: 0.4781530486029267
Energy: 0.47817477503844097
Energy: 0.4602371432065855
Energy: 0.4784111397562813
Energy: 0.52363869750514
Energy: 0.457632249150943
Energy: 0.4593035271295954
Energy: 0.4848977121713574
Energy: 0.45753342687178356
Energy: 0.4827362503870149
Energy: 0.459365283134345
Energy: 0.4846365738846732
Energy: 0.48368572400565724
Energy: 0.45746721056791334
Energy: 0.4831710549395184
Energy: 0.4581030025196036
Energy: 0.4724954457857785
Energy: 0.47722153749410107
Energy: 0.4727749826838082
Energy: 0.45961513738313803
Energy: 0.5021733114222948
Energy: 0.4732098975165696
Energy: 0.4585643777044433
Energy: 0.5216983130278485
Energy: 0.5207403678278734
Energy: 0.4996447893061347
Energy: 0.5118075142654185
Energy: 0.5258875991265806
Energy: 0.4582963636177536
Energy: 0.5219042488263079
Energy: 0.5207005756748899
Energy: 0.5050682358918429
Energy: 0.49486602827891096
Energy: 0.5260288234158583
Energy: 0.494596352969559
Energy: 0.4808605560148555
Energy: 0.47806468409859554
Energy: 0.49511332372184214
Energy: 0.4819602409590425
Energy: 0.47317025487533804
Energy: 0.5356556836358409
Energy: 0.5114050727836728
Energy: 0.5115179869277183
Energy: 0.5337287344147668
Energy: 0.5123373735494112
Energy: 0.5574365411949926
Energy: 0.4606396705063636
Energy: 0.5051358764030464
Energy: 0.47687180124127265
Energy: 0.46073234050566886
Energy: 0.49399866388843355
Energy: 0.477143644286521
Energy: 0.5558706028827427
Energy: 0.49471274343721267
Energy: 0.5244092989433337
Energy: 0.49056497275244243
Energy: 0.509485079420672
Energy: 0.5174838127737906
Energy: 0.45042399377069026
Energy: 0.4865527366526409
Energy: 0.5159888087137026
Energy: 0.46321512934612397
Energy: 0.48886593689594854
Energy: 0.5154593380524314
Energy: 0.45200762092505786
Energy: 0.4707865410915031
Energy: 0.46661830884233757
Energy: 0.45291182596195834
Energy: 0.4830426234554809
Energy: 0.4663705205142226
Energy: 0.4500704614919975
Energy: 0.4904598876384906
Energy: 0.48943618285181534
Energy: 0.45530373420692205
Energy: 0.4872202204696772
Energy: 0.48969282189202973
Energy: 0.5297556219262386
Energy: 0.4770420111275365
Energy: 0.47379416922949547
Energy: 0.4813812252056555
Energy: 0.4808265698598041
Energy: 0.46926487051822263
Energy: 0.47749770323028434
Energy: 0.48560227211160345
Energy: 0.4857470263954066
Energy: 0.48055791352757005
Energy: 0.4723468326507805
Energy: 0.48239139940569936
Energy: 0.566717727149125
Energy: 0.5251256270435748
Energy: 0.524903287928178
Energy: 0.5667309553588238
Energy: 0.525069609717841
Energy: 0.5017758070452947
Energy: 0.47882026926949045
Energy: 0.5300501328092814
Energy: 0.5022214910473998
Energy: 0.47486449296489436
Energy: 0.5277505120136332
Energy: 0.4908718212771992
Energy: 0.46726915616023335
Energy: 0.4874393546117207
Energy: 0.4915127399044787
Energy: 0.4757862571567518
Energy: 0.5299782454242976
Energy: 0.49100920571435563
Energy: 0.6022650697922903
Energy: 0.5295866451284368
Energy: 0.4987637743719109
Energy: 0.513548354302458
Energy: 0.5207222631488685
Energy: 0.5145376262299374
Energy: 0.5167739685722268
Energy: 0.48171772323480266
Energy: 0.48223185486041786
Energy: 0.4818643394250024
Energy: 0.48056313439497644
Energy: 0.48236330322917736
Energy: 0.47908797585482304
Energy: 0.4922135979150751
Energy: 0.4876162109589599
Energy: 0.48010114953565747
Energy: 0.4832135212895672
Energy: 0.4722299076156066
Energy: 0.5126694867078383
Energy: 0.4559783267360005
Energy: 0.477951228255349
Energy: 0.4865871527036318
Energy: 0.45536771686193467
Energy: 0.48968453910463544
Energy: 0.5094169066215551
Energy: 0.45827533974255136
Energy: 0.463635484654363
Energy: 0.4766194363286513
Energy: 0.4508060710236932
Energy: 0.4669956133322717
Energy: 0.5164002803547451
Energy: 0.4638138248023167
Energy: 0.4694767498542807
Energy: 0.4994576408385304
Energy: 0.46335415244305667
Energy: 0.5136690318489041
Energy: 0.5101489533083622
Energy: 0.5010634951571573
Energy: 0.5019651426451727
Energy: 0.5102973079471838
Energy: 0.479998581419862
Energy: 0.5083033986213467
Energy: 0.5609286250194659
Energy: 0.4724853870995609
Energy: 0.47737708733055034
Energy: 0.49218108622079865
Energy: 0.4717121919764401
Energy: 0.47731659816581845
Energy: 0.4487263484951976
Energy: 0.487983044525858
Energy: 0.48427926035054936
Energy: 0.5254684277871747
Energy: 0.5687710343695449
Energy: 0.4915945354658642

minimum gb energy = 0.4487263484951976 eV
minimum distance =  2.60246925178755 Angstroms
sigma value = 57


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

Energy: 0.5558303362225737
Energy: 0.6641706255776993
Energy: 0.5134068821943926
Energy: 0.5094078359465453
Energy: 0.6606285714866769
Energy: 0.5142079780284413
Energy: 0.4814223695443833
Energy: 0.47420579429288423
Energy: 0.48576954461882843
Energy: 0.4771374569287401
Energy: 0.49573714011880987
Energy: 0.5083126586302621
Energy: 0.4855017608762298
Energy: 0.49747118257720213
Energy: 0.4838450991760302
Energy: 0.4856385010752484
Energy: 0.49673011996260885
Energy: 0.48665121597306504
Energy: 0.4761089895271802
Energy: 0.4710638281016262
Energy: 0.4678783278375671
Energy: 0.4865807848016394
Energy: 0.5025743229723644
Energy: 0.4672149558578542
Energy: 0.4756860998198598
Energy: 0.48819071794003627
Energy: 0.48850382290039335
Energy: 0.5023562604347538
Energy: 0.48694702619528124
Energy: 0.48527767893839646
Energy: 0.5293422158628752
Energy: 0.4968818837010523
Energy: 0.4991083874387739
Energy: 0.5037691062851589
Energy: 0.4839384459367162
Energy: 0.48884786645209827
Energy: 0.4835929218105042
Energy: 0.48675640919295654
Energy: 0.4575891918611556
Energy: 0.48465873799587456
Energy: 0.4903257919073158
Energy: 0.4970204873624641
Energy: 0.4829090226247269
Energy: 0.4713561158786764
Energy: 0.4725420589670998
Energy: 0.4965190039818712
Energy: 0.47191883447593624
Energy: 0.46728423533348806
Energy: 0.5677140370119417
Energy: 0.48567758012717466
Energy: 0.5100807596979662
Energy: 0.5072392194529503
Energy: 0.47720539407335694
Energy: 0.5085615158403355
Energy: 0.567853278233212
Energy: 0.4859988976303351
Energy: 0.5100592824878105
Energy: 0.5073468252359274
Energy: 0.4829909694402029
Energy: 0.5084319872070637
Energy: 0.48223749008371547
Energy: 0.4712479098801588
Energy: 0.4726460502969782
Energy: 0.49595259986352774
Energy: 0.4726100708263939
Energy: 0.46790995231138877
Energy: 0.4801808734479925
Energy: 0.501792675964836
Energy: 0.4897491061517713
Energy: 0.48090952875321646
Energy: 0.5017857964385505
Energy: 0.4869338845758267
Energy: 0.476153069269137
Energy: 0.467907411397836
Energy: 0.46725485546963585
Energy: 0.47773224469247894
Energy: 0.47771849695766094
Energy: 0.48430542728387477
Energy: 0.5240313380050758
Energy: 0.48645316885201517
Energy: 0.4859966705553732
Energy: 0.5038752214351255
Energy: 0.48405453251347763
Energy: 0.4857872870174263
Energy: 0.481243646228056
Energy: 0.5008615964880752
Energy: 0.48567236463609503
Energy: 0.48849964171529753
Energy: 0.5017802725322698
Energy: 0.48498592397349183
Energy: 0.48527701039802057
Energy: 0.4993517339913545
Energy: 0.48344313684916024
Energy: 0.4861699712156703
Energy: 0.488205788376736
Energy: 0.48619211858036115
Energy: 0.4514653508091873
Energy: 0.47746024020479594
Energy: 0.4799941642253333
Energy: 0.45236503670307593
Energy: 0.4783814294501924
Energy: 0.4765746385678315

minimum gb energy = 0.4514653508091873 eV
minimum distance =  2.64166886409074 Angstroms
sigma value = 9


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

Energy: 0.6936056833278917
Energy: 0.5916977667764152
Energy: 0.5023951464356845
Energy: 0.5021356066889436
Energy: 0.5339168825466952
Energy: 0.5066258709132824
Energy: 0.5657893850899222
Energy: 0.4955565772072461
Energy: 0.4932109613491151
Energy: 0.4812920697315047
Energy: 0.49762430743597513
Energy: 0.4906237363906875
Energy: 0.5275248063378672
Energy: 0.49361888158546385
Energy: 0.5089730896720156
Energy: 0.5282637471186612
Energy: 0.49027689079646575
Energy: 0.5084126336876624
Energy: 0.5189061835886875
Energy: 0.4947993990232883
Energy: 0.4940153013673071
Energy: 0.519897581683617
Energy: 0.5145270582417243
Energy: 0.48740659390235885
Energy: 0.4789343179327423
Energy: 0.4952408255910901
Energy: 0.49357760499826575
Energy: 0.47818388032933884
Energy: 0.4932402621852066
Energy: 0.4897167092101778
Energy: 0.4817438303626207
Energy: 0.4861809377345914
Energy: 0.4844238900499545
Energy: 0.48597029702038586
Energy: 0.48688456078579356
Energy: 0.4836008961773973
Energy: 0.521611662087875
Energy: 0.4984416083618432
Energy: 0.4845807132449082
Energy: 0.5217074691921781
Energy: 0.4960178184695475
Energy: 0.6050269971152417
Energy: 0.5127815673332108
Energy: 0.4925537814351419
Energy: 0.48845079394175445
Energy: 0.5018648703813163
Energy: 0.4986940022436209
Energy: 0.4855280316198802
Energy: 0.5367229897752834
Energy: 0.5100637600322179
Energy: 0.4835261042664731
Energy: 0.48803307876081264
Energy: 0.5336866601725243
Energy: 0.48725791812780855
Energy: 0.5378685179104452
Energy: 0.4937428730565826
Energy: 0.4926224588987078
Energy: 0.49457785446595526
Energy: 0.5005063496810545
Energy: 0.48941304477198966
Energy: 0.5150822590978389
Energy: 0.4867735306790581
Energy: 0.4889609341392412
Energy: 0.5000530513929575
Energy: 0.47922007076854684
Energy: 0.49242990346711707
Energy: 0.5149114122366045
Energy: 0.48396356856495826
Energy: 0.4939014580925872
Energy: 0.5072655342583509
Energy: 0.4817025875291027
Energy: 0.4958034308217765
Energy: 0.5235964310425418
Energy: 0.510635969236228
Energy: 0.5351471956953352
Energy: 0.49260737480492983
Energy: 0.5062177057558045
Energy: 0.49026270524282567
Energy: 0.5200240845655996
Energy: 0.49873081593571567
Energy: 0.5025470218289532
Energy: 0.5033480056628792
Energy: 0.4973084239376419
Energy: 0.4937565856900642
Energy: 0.5419388864459367
Energy: 0.48225342760109946
Energy: 0.48880792404688694
Energy: 0.5347287203799306
Energy: 0.4805740820646559
Energy: 0.49329569987297767
Energy: 0.5345940379308775
Energy: 0.4946403603922036
Energy: 0.4852284936106908
Energy: 0.5350882775602807
Energy: 0.4928574274051477
Energy: 0.4911485088958083
Energy: 0.5158714606208842
Energy: 0.48996556821903364
Energy: 0.48972176211736107
Energy: 0.49719095066248375
Energy: 0.49825845906870453
Energy: 0.5138467244594287
Energy: 0.5061498265909554
Energy: 0.5125740283350563
Energy: 0.5101243205852343
Energy: 0.49242099596326794
Energy: 0.5122540446451559
Energy: 0.48745939244931225
Energy: 0.5166621501909013
Energy: 0.49613942988714893
Energy: 0.4833237303416902
Energy: 0.5210239847956458
Energy: 0.4868103658393182
Energy: 0.4932452953564534
Energy: 0.5182783913468715
Energy: 0.4977741929940296
Energy: 0.4844886719277625
Energy: 0.5096354254989542
Energy: 0.49355261552723506
Energy: 0.48535868300290097
Energy: 0.5388191195151135
Energy: 0.4816303718878279
Energy: 0.48153317510185106
Energy: 0.4899635111998503
Energy: 0.49428306181794307
Energy: 0.4934955361765151

minimum gb energy = 0.47818388032933884 eV
minimum distance =  2.53733195484709 Angstroms
sigma value = 27


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

Energy: 0.6124437855659484
Energy: 0.664012138255967
Energy: 0.4602142038082476
Energy: 0.5530818573168756
Energy: 0.5082312430985705
Energy: 0.49728625516895214
Energy: 0.5943883024539129
Energy: 0.4969955888065312
Energy: 0.49469258398152627
Energy: 0.5139615458219741
Energy: 0.5172274058586506
Energy: 0.5031214157770656
Energy: 0.5882342454404594
Energy: 0.5268770262262935
Energy: 0.4547893184111097
Energy: 0.5117459415677231
Energy: 0.44867182596824906
Energy: 0.5191635630469318
Energy: 0.5828160448589501
Energy: 0.5263308798470951
Energy: 0.46578093126505854
Energy: 0.5628199032564593
Energy: 0.4916846111082953
Energy: 0.5077789817935562
Energy: 0.4523740396336446
Energy: 0.4680149124396944
Energy: 0.46242718526301047
Energy: 0.45018383641489845
Energy: 0.4692477177269781
Energy: 0.4664688571339505
Energy: 0.5412034116103491
Energy: 0.47728745295601294
Energy: 0.4771756820715195
Energy: 0.477943281262821
Energy: 0.47841609770616644
Energy: 0.47672045773754285
Energy: 0.5908074514692493
Energy: 0.47671774309054665
Energy: 0.4829524412671569
Energy: 0.5613375804910942
Energy: 0.4669783867623822
Energy: 0.4832317226351854
Energy: 0.5556555416924962
Energy: 0.48299748121347197
Energy: 0.510032873520433
Energy: 0.5184094328246533
Energy: 0.4866868783120071
Energy: 0.511217194472029
Energy: 0.5830542247168041
Energy: 0.4877115671603874
Energy: 0.48793418130066823
Energy: 0.47777135517435954
Energy: 0.5466285028047626
Energy: 0.47748897837149606
Energy: 0.5842959998124916
Energy: 0.48299062314580127
Energy: 0.4834825462736902
Energy: 0.4782718776192996
Energy: 0.48366199308931435
Energy: 0.4890053972082652
Energy: 0.6002004716561513
Energy: 0.5299949555464581
Energy: 0.44981975976601574
Energy: 0.44939242790311024
Energy: 0.44778069663337833
Energy: 0.5294378801170492
Energy: 0.532389068446391
Energy: 0.4538993985966734
Energy: 0.4538625301451562
Energy: 0.45478201994804424
Energy: 0.4539150105167612
Energy: 0.4537885114201725
Energy: 0.4968562212908635
Energy: 0.5004834654100818
Energy: 0.5021227291701207
Energy: 0.4989826276937728
Energy: 0.4989364707573445
Energy: 0.5003105145433251
Energy: 0.4970042602069351
Energy: 0.4846879685148946
Energy: 0.4843727945315974
Energy: 0.5009916147509346
Energy: 0.4844591115231021
Energy: 0.48481457088718144
Energy: 0.5310856501408935
Energy: 0.45452436155348314
Energy: 0.4539652599210825
Energy: 0.4551201140153729
Energy: 0.45545601302878336
Energy: 0.4538241166482162
Energy: 0.5484896385436447
Energy: 0.47420835961158686
Energy: 0.5045952134796611
Energy: 0.5237214834079432
Energy: 0.46207470579186366
Energy: 0.5049419770627918
Energy: 0.4575940870703806
Energy: 0.45401604290962866
Energy: 0.45429759991585184
Energy: 0.4521352097376154
Energy: 0.45413285802027425
Energy: 0.4541201602689315
Energy: 0.499821152174111
Energy: 0.4784493157905876
Energy: 0.47682940953288855
Energy: 0.47777638349062507
Energy: 0.5021511934027246
Energy: 0.4771421690950944
Energy: 0.5612850200063696
Energy: 0.4855088005385276
Energy: 0.4825723348907036
Energy: 0.5176630635472733
Energy: 0.4889162466485712
Energy: 0.4820097707707655
Energy: 0.5818855932891119
Energy: 0.4879340362297869
Energy: 0.48254461453943565
Energy: 0.48648609023157213
Energy: 0.49606335147333475
Energy: 0.48199482331864885
Energy: 0.6262200397852546
Energy: 0.4779502249130457
Energy: 0.4775531659757265
Energy: 0.47804553332319144
Energy: 0.47861364431607584
Energy: 0.47672202857749035
Energy: 0.44912440447467333
Energy: 0.4970711088808478
Energy: 0.5343501774533935
Energy: 0.44678904796499
Energy: 0.49513632298174803
Energy: 0.4982714132523084
Energy: 0.6308933435976464
Energy: 0.5066301683360416
Energy: 0.45523082295436884
Energy: 0.4552622297020915
Energy: 0.4609226441333172
Energy: 0.5161533154778453
Energy: 0.5884190419491044
Energy: 0.45299770909098874
Energy: 0.4510273561764123
Energy: 0.5158777000686018
Energy: 0.45558413217012783
Energy: 0.5044911734199884
Energy: 0.5418677582315873
Energy: 0.5104532267037724
Energy: 0.49060177714847786
Energy: 0.4381248701119251
Energy: 0.5119528199423269
Energy: 0.4891770059845206

minimum gb energy = 0.4381248701119251 eV
minimum distance =  2.53663853340937 Angstroms
sigma value = 19


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

Energy: 0.6957955052461229
Energy: 0.44042969250287756
Energy: 0.4116607323318341
Energy: 0.6249204281001157
Energy: 0.44593193269361076
Energy: 0.41181003218572537
Energy: 0.5809742520581883
Energy: 0.42087520298756786
Energy: 0.45266054898044816
Energy: 0.4206239232447767
Energy: 0.42100362431035826
Energy: 0.4207233235743378
Energy: 0.5231691426862839
Energy: 0.4201555679994908
Energy: 0.42023375552252146
Energy: 0.42050277988830786
Energy: 0.4203154652627443
Energy: 0.4201458180082412
Energy: 0.4960191093103012
Energy: 0.4210265148303385
Energy: 0.42082919521866147
Energy: 0.4208936280623683
Energy: 0.4207454427946238
Energy: 0.4208848491235144
Energy: 0.42770256427145714
Energy: 0.4202856608299445
Energy: 0.4204325831723581
Energy: 0.4290515360616068
Energy: 0.42049173840937315
Energy: 0.4201319201815011
Energy: 0.46177791155587683
Energy: 0.4768583523424156
Energy: 0.4204968951105782
Energy: 0.4616358884791537
Energy: 0.47654308667530204
Energy: 0.42062545198948914
Energy: 0.4437176379809186
Energy: 0.4194035456006929
Energy: 0.41932619368083485
Energy: 0.46196155762715174
Energy: 0.41941784231729096
Energy: 0.4439455695264157
Energy: 0.4348764870202903
Energy: 0.41982417556747986
Energy: 0.42042397867114745
Energy: 0.4347209448577314
Energy: 0.42000879759035253
Energy: 0.4205051501010776
Energy: 0.4202063518325618
Energy: 0.42011386469916145
Energy: 0.43023680025871697
Energy: 0.42031794280582796
Energy: 0.4201811476974221
Energy: 0.4202989399260421
Energy: 0.41997594225732415
Energy: 0.4206794289062374
Energy: 0.42086885869798446
Energy: 0.4209534317433133
Energy: 0.4207315964119681
Energy: 0.42125954348815153
Energy: 0.5174153350971791
Energy: 0.41142663840639243
Energy: 0.4113208760571742
Energy: 0.42054228325177073
Energy: 0.4137930353804973
Energy: 0.4112872492239173
Energy: 0.527601533388253
Energy: 0.4106678243974042
Energy: 0.41064519634461333
Energy: 0.45206717083417625
Energy: 0.41153784938090165
Energy: 0.4108484030295753
Energy: 0.45496661906834523
Energy: 0.4608675518781638
Energy: 0.4199448187630823
Energy: 0.4192901093403051
Energy: 0.4620327021317864
Energy: 0.42005072856406744
Energy: 0.48870960236663774
Energy: 0.4202257100246099
Energy: 0.42019488618156503
Energy: 0.4098086940055349
Energy: 0.4111288781514946
Energy: 0.4201037597303057
Energy: 0.48705650544723933
Energy: 0.4108784892835061
Energy: 0.4110475134981563
Energy: 0.4107961996057164
Energy: 0.41088118638061405
Energy: 0.41069584650850766
Energy: 0.487281535382685
Energy: 0.4114083216788052
Energy: 0.41138912759120144
Energy: 0.41089221475539717
Energy: 0.41093972267857964
Energy: 0.41159941380219556
Energy: 0.43955662740340407
Energy: 0.4205528570951363
Energy: 0.42806918449842096
Energy: 0.41261257319961764
Energy: 0.45825730710242607
Energy: 0.4278553669876095
Energy: 0.4706576173950099
Energy: 0.41052754989115814
Energy: 0.4108270240938619
Energy: 0.40832550446734645
Energy: 0.4445929615779452
Energy: 0.41076464392241857
Energy: 0.4936942740578683
Energy: 0.409786688990178
Energy: 0.4099904227948122
Energy: 0.42077618188391863
Energy: 0.40978631525970516
Energy: 0.4103333618494792
Energy: 0.4829194876351113
Energy: 0.4098996668093789
Energy: 0.41003272048076267
Energy: 0.4105604968098675
Energy: 0.40966781146601317
Energy: 0.41030572169992324
Energy: 0.41027387149898664
Energy: 0.41058301338707565
Energy: 0.41045683230101615
Energy: 0.4107486089332248
Energy: 0.41069700674108006
Energy: 0.4105024518425538
Energy: 0.42904929855945584
Energy: 0.4110930268637001
Energy: 0.4118674587011962
Energy: 0.41097786853852014
Energy: 0.4106374567198045
Energy: 0.41074554291633314
Energy: 0.48386178150537523
Energy: 0.4431780252313858
Energy: 0.45483522348798366
Energy: 0.4475142346392513
Energy: 0.40750899589660594
Energy: 0.47046048776624033
Energy: 0.503515820604798
Energy: 0.4077637409088194
Energy: 0.4114624993614818
Energy: 0.448325225064869
Energy: 0.4075752152183834
Energy: 0.4113843779969868
Energy: 0.45669041379261616
Energy: 0.41056953451551603
Energy: 0.41110143503789465
Energy: 0.41060536316484275
Energy: 0.4203523145032009
Energy: 0.41102594642683005
Energy: 0.4346528118843541
Energy: 0.45200634239985554
Energy: 0.4201880033597576
Energy: 0.41958800412296693
Energy: 0.4605999435067873
Energy: 0.4201946961551378
Energy: 0.49848241606489896
Energy: 0.4207158046796221
Energy: 0.42047052659566203
Energy: 0.4202278114260818
Energy: 0.4206201489903533
Energy: 0.42027590870899423
Energy: 0.49755094417951445
Energy: 0.420607298648764
Energy: 0.4206312794974152
Energy: 0.4202096876845118
Energy: 0.4206451120926646
Energy: 0.4207058878449278
Energy: 0.4701396583624234
Energy: 0.4202895506472077
Energy: 0.42053153351325456
Energy: 0.40722369481696613
Energy: 0.44933346305745625
Energy: 0.41088122623536233

minimum gb energy = 0.40722369481696613 eV
minimum distance =  2.58138962412262 Angstroms
sigma value = 101


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

Energy: 0.6407277964402136
Energy: 0.7181762319320018
Energy: 0.40952110915076395
Energy: 0.6181188294784057
Energy: 0.4390312115800999
Energy: 0.6119637013897173
Energy: 0.5622215850869646
Energy: 0.40028223245945366
Energy: 0.42120882006995275
Energy: 0.3999614931192031
Energy: 0.40079081958294804
Energy: 0.3992512075812539
Energy: 0.530086661239026
Energy: 0.3987743964638445
Energy: 0.39890441939625143
Energy: 0.49382887596770453
Energy: 0.4008027528251606
Energy: 0.39897752346906595
Energy: 0.42338589783028224
Energy: 0.3999320257996798
Energy: 0.39976541258861514
Energy: 0.3999826645981657
Energy: 0.40000590973129724
Energy: 0.3995954507617706
Energy: 0.40855357379219
Energy: 0.40010937804293495
Energy: 0.3990524127931636
Energy: 0.40972267917853056
Energy: 0.494062941196992
Energy: 0.40829099959675386
Energy: 0.4383166344996227
Energy: 0.4542593430314887
Energy: 0.39986865175496356
Energy: 0.4190043765877805
Energy: 0.4519173956620081
Energy: 0.40020162722621544
Energy: 0.41735350463498877
Energy: 0.3988079284274687
Energy: 0.39853860234960964
Energy: 0.44378749920262756
Energy: 0.3987136959444402
Energy: 0.3983609369702958
Energy: 0.4188067663924204
Energy: 0.45376225944587684
Energy: 0.4517234290262307
Energy: 0.41921752929731637
Energy: 0.39886184987148415
Energy: 0.45920616052622737
Energy: 0.4002130371559979
Energy: 0.39898173216811955
Energy: 0.3991881767084189
Energy: 0.3997599244589506
Energy: 0.3994183438033396
Energy: 0.39905557163581173
Energy: 0.39852596135564655
Energy: 0.40024656602637104
Energy: 0.40074521507940336
Energy: 0.3989297610391233
Energy: 0.39974188330949784
Energy: 0.3995897077350936
Energy: 0.5239870267880553
Energy: 0.38692149086154404
Energy: 0.38679783481557667
Energy: 0.4929400433962192
Energy: 0.3892905501053932
Energy: 0.38692974951365533
Energy: 0.4648108504132262
Energy: 0.4002972252072192
Energy: 0.3999254438946643
Energy: 0.4001314658892146
Energy: 0.3993884450676675
Energy: 0.39979769141721033
Energy: 0.4224038553138463
Energy: 0.3989408999782887
Energy: 0.39924522400316237
Energy: 0.3993510146658318
Energy: 0.5080351423874339
Energy: 0.3986908118381196
Energy: 0.4219190381126866
Energy: 0.3991935434369636
Energy: 0.3992444411976181
Energy: 0.39818982285484383
Energy: 0.4158052778481715
Energy: 0.3995249491958025
Energy: 0.49044005494648585
Energy: 0.39863210536582655
Energy: 0.3987918292231151
Energy: 0.45385946552139417
Energy: 0.40119539455634423
Energy: 0.3987532034794076
Energy: 0.4906523158246624
Energy: 0.39972218552028943
Energy: 0.4000555733614095
Energy: 0.39937244874041905
Energy: 0.3999755285865228
Energy: 0.39996832386407283
Energy: 0.6434782979372443
Energy: 0.40336491297713
Energy: 0.4094004320271145
Energy: 0.38798834384078146
Energy: 0.4720766491861985
Energy: 0.38624865447173234
Energy: 0.503567149157043
Energy: 0.3991656228208323
Energy: 0.3988263498659982
Energy: 0.4086346631990842
Energy: 0.41486324064333696
Energy: 0.4092311039230214
Energy: 0.531588265745119
Energy: 0.39904262229512416
Energy: 0.39908639342172325
Energy: 0.5071743251760505
Energy: 0.3991460389073373
Energy: 0.39880574548025277
Energy: 0.4907159435489243
Energy: 0.3991047372044668
Energy: 0.3990375054521831
Energy: 0.3990992724009482
Energy: 0.3991937135384761
Energy: 0.3988905608553142
Energy: 0.41029703392532246
Energy: 0.3989829831922993
Energy: 0.39882591858756355
Energy: 0.4104722560254372
Energy: 0.39897302258507295
Energy: 0.4085417201308416
Energy: 0.43804928684654104
Energy: 0.39927671287018385
Energy: 0.3995656583007055
Energy: 0.40338006771563967
Energy: 0.3992750243165598
Energy: 0.3996599013685428
Energy: 0.41715749674902913
Energy: 0.39841804886392873
Energy: 0.3981974567795784
Energy: 0.4460774598821541
Energy: 0.39859280383364687
Energy: 0.4142032277903788
Energy: 0.41923401222292833
Energy: 0.3986164836149556
Energy: 0.39855726070739267
Energy: 0.4197307830040469
Energy: 0.3983454516315934
Energy: 0.3997051546812408
Energy: 0.3991649684772127
Energy: 0.3990719370018775
Energy: 0.3991657222735269
Energy: 0.39878849698744456
Energy: 0.39904297961328145
Energy: 0.39907726032753715
Energy: 0.39998408189929563
Energy: 0.3993094582650581
Energy: 0.3993347103237723
Energy: 0.4001068486772145
Energy: 0.39890757396500726
Energy: 0.39978646069444396
Energy: 0.47287253519176636
Energy: 0.38689445619307106
Energy: 0.38683570952351504
Energy: 0.41515613641735044
Energy: 0.38896247489118707
Energy: 0.38682176340273633
Energy: 0.49025013508449217
Energy: 0.38727661023445253
Energy: 0.3874763292970149
Energy: 0.39917480112494663
Energy: 0.3868577117862083
Energy: 0.39937624427807683
Energy: 0.42277156760027035
Energy: 0.4145591428204134
Energy: 0.3990148204509218
Energy: 0.39800895339190806
Energy: 0.3991051489545444
Energy: 0.39917820500372536
Energy: 0.42303879452854687
Energy: 0.41427703475559274
Energy: 0.4145615298576334
Energy: 0.398215677170495
Energy: 0.4156254730744193
Energy: 0.399273576110292
Energy: 0.4927835415984943
Energy: 0.39953655857088927
Energy: 0.3997167282660123
Energy: 0.3989105765157115
Energy: 0.3988901553617556
Energy: 0.3992342575634822
Energy: 0.4905035533726798
Energy: 0.39943764669400494
Energy: 0.3993652388934738
Energy: 0.39886710090932725
Energy: 0.3992986976721452
Energy: 0.39941442146415534
Energy: 0.43341541283394874
Energy: 0.4067616859621619
Energy: 0.4091028595386196
Energy: 0.3863589878536705
Energy: 0.42882990445706004
Energy: 0.40857944341842395

minimum gb energy = 0.38624865447173234 eV
minimum distance =  2.56792610308294 Angstroms
sigma value = 33


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

Energy: 0.011660026429724595
Energy: 0.5110703884730257
Energy: 0.01204606205113789
Energy: 0.013161651492724117
Energy: 0.5088032970389016
Energy: 0.01196501322045611
Energy: 0.3466928290379853
Energy: 0.06396023568646643
Energy: 0.06310254505370609
Energy: 0.0625803109730496
Energy: 0.06328621989782333
Energy: 0.06289557467247982
Energy: 0.7965402794704582
Energy: 0.510185057234348
Energy: 0.5080040298568208
Energy: 0.50820575286265
Energy: 0.507990582623552
Energy: 0.5085103543633759
Energy: 0.3466928290372983
Energy: 0.06396023568750686
Energy: 0.06310254505370609
Energy: 0.0625803109730496
Energy: 0.06328621989815705
Energy: 0.06289557467316689

minimum gb energy = 0.011660026429724595 eV
minimum distance =  2.82775324646946 Angstroms
sigma value = 1