Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890356361865998
cohesive_energy=3.9103032749768927
mass=106.42
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=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43053399731068e-19, 2.8851035519091596e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.09479352198928e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.258294193600079e-19, 6.264510638939999e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.93023250602224e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8666916346066994e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.64459936349052e-18, -5.125090682138219e-18, -7.3104916544469e-18, -1.0682993360185199e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013022513872494116
Energy: 0.01337507195699596
Energy: 0.01387133497379191
Energy: 0.01326885929124237
Energy: 0.38970409454769606
Energy: 0.013435610956361995
Energy: 0.013375071957537529
Energy: 0.09767837460325818
Energy: 0.09749460801939087
Energy: 0.09751031128285827
Energy: 0.09748637315853327
Energy: 0.09730918656363338
Energy: 0.013871334971956587
Energy: 0.09749460802044392
Energy: 0.09731608961188556
Energy: 0.013854601823316817
Energy: 0.09727717135372883
Energy: 0.09745554178252044
Energy: 0.013268859290971586
Energy: 0.09751031128339985
Energy: 0.013854601821992977
Energy: 0.013285100029755047
Energy: 0.09738154648671492
Energy: 0.0134678191792395
Energy: 0.3897040945426714
Energy: 0.09748637315615637
Energy: 0.0972771713502989
Energy: 0.09738154648539109
Energy: 0.09752463045838866
Energy: 0.09730216586454177
Energy: 0.013435610954526672
Energy: 0.097309186565228
Energy: 0.09745554178252044
Energy: 0.013467819182157965
Energy: 0.0973021658634887
Energy: 0.01361789469059971

minimum gb energy = 0.013022513872494116 eV
minimum distance =  2.74581644340612 Angstroms
sigma value = 1


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

Energy: 1.2338083182035617
Energy: 0.756184675294042
Energy: 0.7785457831494773
Energy: 0.728066678280689
Energy: 0.7700114462863576
Energy: 0.7785269844608748
Energy: 1.129743354989636
Energy: 0.7116968589587501
Energy: 0.7242633370219069
Energy: 0.7205542131865711
Energy: 0.7117525677394779
Energy: 0.7317050558296104
Energy: 1.111199523847873
Energy: 0.7241250524469292
Energy: 0.7296335009130316
Energy: 0.7259846740941326
Energy: 0.7204579074436289
Energy: 0.7294709688988819
Energy: 1.1896488918168378
Energy: 0.7256659906236141
Energy: 0.7237838844200897
Energy: 0.7128480721777726
Energy: 0.7252216400695719
Energy: 0.7104333978363977
Energy: 1.0945456235055016
Energy: 0.7441641824301798
Energy: 0.731462753215488
Energy: 0.7286290187191649
Energy: 0.7253256197651875
Energy: 0.7293270359678571
Energy: 1.0852333558440577
Energy: 0.7544920292410637
Energy: 0.727015312426536
Energy: 0.7265267943861361
Energy: 0.7347730541728098
Energy: 0.7262615351619585
Energy: 1.0873154634288458
Energy: 0.7308896101826919
Energy: 0.7300773157310898
Energy: 0.7263147600528218
Energy: 0.7132970767921669
Energy: 0.7293605234657102
Energy: 1.0277995719019344
Energy: 0.7211853437865524
Energy: 0.7548864086655137
Energy: 0.6970097942545291
Energy: 0.7269229549449885
Energy: 0.7374999216741296
Energy: 0.8985134139276548
Energy: 0.7265226886472226
Energy: 0.7260208902209172
Energy: 0.7433229823444816
Energy: 0.7264555001808964
Energy: 0.7259471261968102
Energy: 0.8942367143230225
Energy: 0.7292742051455539
Energy: 0.7294700095366045
Energy: 0.7225127107679484
Energy: 0.7300220541318959
Energy: 0.7304839998197126
Energy: 0.8953940366207573
Energy: 0.7227897367151109
Energy: 0.7065799193217966
Energy: 0.7764774389150964
Energy: 0.7343559478731556
Energy: 0.7259190260463131
Energy: 0.8127815590900784
Energy: 0.735608756547255
Energy: 0.730274650101082
Energy: 0.7112173948573999
Energy: 0.7226470432637409
Energy: 0.7296414669832082
Energy: 0.8080666944749643
Energy: 0.7315597083489035
Energy: 0.731760189142403
Energy: 0.7312622226142435
Energy: 0.7407911607239767
Energy: 0.7317646157909085
Energy: 0.8779919393593257
Energy: 0.7217485827948417
Energy: 0.7115250190456315
Energy: 0.7352563824507089
Energy: 0.7299689326349384
Energy: 0.7187926158614483
Energy: 0.8365028410896159
Energy: 0.7283688574935668
Energy: 0.7288375143507657
Energy: 0.7300757487690732
Energy: 0.7284602424524831
Energy: 0.735640124329913
Energy: 0.8374828205126202
Energy: 0.720873976608501
Energy: 0.7203790284702327
Energy: 0.7487114023549664
Energy: 0.7296362391748796
Energy: 0.7199535281682871
Energy: 1.0251068287457956
Energy: 0.7271702651903688
Energy: 0.7284059589287206
Energy: 0.7170720035695258
Energy: 0.7248370031871005
Energy: 0.7178708064143672
Energy: 0.9885182050011505
Energy: 0.7284367154557946
Energy: 0.7322327273731273
Energy: 0.7270267139852801
Energy: 0.7274623948484311
Energy: 0.7389652551873508
Energy: 0.9889205864687188
Energy: 0.7273849591634166
Energy: 0.7281644884926911
Energy: 0.7276679209824433
Energy: 0.737428189289554
Energy: 0.7380970223930784
Energy: 1.0525935950264624
Energy: 0.7378403955359368
Energy: 0.7280704457058461
Energy: 0.7276377062602123
Energy: 0.7302700673487251
Energy: 0.737061037745223
Energy: 1.1295067841449198
Energy: 0.7114640497530711
Energy: 0.7087883643024366
Energy: 0.7206611278604965
Energy: 0.7110678942726171
Energy: 0.7080007814710766
Energy: 1.13156882478542
Energy: 0.7345641877711935
Energy: 0.7199212634094406
Energy: 0.7198769257792257
Energy: 0.7343534235608918
Energy: 0.7204407581811837
Energy: 1.1298190583511922
Energy: 0.7123331977486554
Energy: 0.7349021850245463
Energy: 0.7348066640097394
Energy: 0.7117403863205799
Energy: 0.7305016948425613

minimum gb energy = 0.6970097942545291 eV
minimum distance =  2.57666688348489 Angstroms
sigma value = 33


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

Energy: 1.4249916767963502
Energy: 0.8392265226580712
Energy: 0.8022831059502177
Energy: 0.8051188399847892
Energy: 0.7718101579622574
Energy: 0.832108799778642
Energy: 0.9597554993202135
Energy: 0.7408294668608516
Energy: 0.7174544946975453
Energy: 0.7466005348864718
Energy: 0.7545907841090003
Energy: 0.7360320131052895
Energy: 1.0523596549414411
Energy: 0.7300832578493763
Energy: 0.7292920960189178
Energy: 0.7723517646188517
Energy: 0.7546122093704647
Energy: 0.7447109053663699
Energy: 1.1223664870795451
Energy: 0.8319413372289277
Energy: 0.735132664180616
Energy: 0.7442634873615475
Energy: 0.7620135675851945
Energy: 0.7707416434566513
Energy: 1.06408618256237
Energy: 0.7304921689669978
Energy: 0.7370318597326644
Energy: 0.7186513398649566
Energy: 0.7413095822196278
Energy: 0.7351916027512103
Energy: 1.1362344597674212
Energy: 0.7556746310025072
Energy: 0.7661312663776041
Energy: 0.7372959086164861
Energy: 0.772515114571116
Energy: 0.7701720648252757
Energy: 1.1349064599312397
Energy: 0.8195158630974335
Energy: 0.8049397757156703
Energy: 0.7516658817537437
Energy: 0.8200020787450285
Energy: 0.8054334316014555
Energy: 1.064473553439806
Energy: 0.7428578031207603
Energy: 0.7433990682795869
Energy: 0.7423844542137816
Energy: 0.7437124123206826
Energy: 0.7433269498260867
Energy: 0.9470964402129192
Energy: 0.7589228685073585
Energy: 0.8096990833531783
Energy: 0.8036047758003028
Energy: 0.7579529391111826
Energy: 0.8090229214927098
Energy: 0.9433503450306451
Energy: 0.7859870495483622
Energy: 0.8409575816791669
Energy: 0.8060684949476425
Energy: 0.7990937916683224
Energy: 0.8012878359709872
Energy: 0.9580159098737177
Energy: 0.7472348470467592
Energy: 0.7470617548300135
Energy: 0.7815125380881338
Energy: 0.7002802114444721
Energy: 0.7471256284104215
Energy: 0.8778786274678072
Energy: 0.6999260192654193
Energy: 0.8076666194541505
Energy: 0.8309728503987829
Energy: 0.7227916639394362
Energy: 0.7961268531280535
Energy: 0.8763898511006637
Energy: 0.8068470457852921
Energy: 0.8075153350549621
Energy: 0.8297726341956415
Energy: 0.8082575992350416
Energy: 0.7944849266987705
Energy: 0.8870210255069535
Energy: 0.7452360265050739
Energy: 0.7710595544117006
Energy: 0.8498017244948072
Energy: 0.7443649513200864
Energy: 0.7699983025335395
Energy: 0.9354801666938882
Energy: 0.8078482099375379
Energy: 0.8078125594704962
Energy: 0.8247541468501088
Energy: 0.8046223274092765
Energy: 0.806765364360482
Energy: 0.9357642921070222
Energy: 0.8169213988633875
Energy: 0.8153918127575313
Energy: 0.8298465973274143
Energy: 0.8165991755716352
Energy: 0.8432714913324607
Energy: 1.0918677672447112
Energy: 0.8109998773924327
Energy: 0.8122800511201271
Energy: 0.8214660495077216
Energy: 0.8189872130952675
Energy: 0.8289995897015451
Energy: 0.9997710099729286
Energy: 0.7857409934714438
Energy: 0.7857216862440545
Energy: 0.758388401163696
Energy: 0.7919192721573101
Energy: 0.7432292747538258
Energy: 1.003360918141295
Energy: 0.8455585715627774
Energy: 0.8170748896118255
Energy: 0.7588327196555731
Energy: 0.8079331444761805
Energy: 0.8167350957869592
Energy: 1.0925286644199736
Energy: 0.7989305907204967
Energy: 0.7968809615453252
Energy: 0.808646090009007
Energy: 0.8088099316521333
Energy: 0.8398852644483243
Energy: 1.206949336306967
Energy: 0.8289570057145537
Energy: 0.7465461063620823
Energy: 0.6990176729861873
Energy: 0.84533112481339
Energy: 0.7464505355803892
Energy: 1.1295009328623022
Energy: 0.8265288323351984
Energy: 0.8113492096684651
Energy: 0.7004499004098024
Energy: 0.8302613596202011
Energy: 0.8138791777813499
Energy: 1.1001837671328847
Energy: 0.7965766710112943
Energy: 0.796230210758337
Energy: 0.8162156264108987
Energy: 0.829160137689237
Energy: 0.8060684327060852
Energy: 1.1227971788163884
Energy: 0.8411825147734513
Energy: 0.8692657494946852
Energy: 0.7709373203453437
Energy: 0.8411674171300403
Energy: 0.7893769670165937
Energy: 1.0382894880065732
Energy: 0.8066729843691954
Energy: 0.8080997331111984
Energy: 0.8134820055236283
Energy: 0.8301368013694526
Energy: 0.8178320604452403
Energy: 1.1436936158619675
Energy: 0.8390105901705243
Energy: 0.8358730599762421
Energy: 0.8167792979353
Energy: 0.840764337209355
Energy: 0.8150855481578079
Energy: 1.136313867347267
Energy: 0.8213832519326685
Energy: 0.8279227426985801
Energy: 0.831141468335136
Energy: 0.8208065051858945
Energy: 0.8284839995525093
Energy: 1.0661576807619626
Energy: 0.7566636957312026
Energy: 0.8050209169084603
Energy: 0.7961044519751801
Energy: 0.7577332055844659
Energy: 0.7923231110817505
Energy: 0.9443737259698999
Energy: 0.7665531670055221
Energy: 0.766457979661126
Energy: 0.8120514188206809
Energy: 0.7580152338793116
Energy: 0.8094961333785409
Energy: 0.9510057032057181
Energy: 0.812300957592732
Energy: 0.8076331392376808
Energy: 0.8059977651920219
Energy: 0.8026550531483716
Energy: 0.8074493398858023
Energy: 0.9458779736416991
Energy: 0.7470549608400382
Energy: 0.746468212777026
Energy: 0.8450209346628679
Energy: 0.747225643977683
Energy: 0.7463948570976571
Energy: 0.876916565146995
Energy: 0.7014049822953768
Energy: 0.700246307812777
Energy: 0.8373860675660657
Energy: 0.7023873394206338
Energy: 0.8309987918219275
Energy: 0.8774102480858158
Energy: 0.8069472336277111
Energy: 0.7953136817567704
Energy: 0.8346080246596167
Energy: 0.8051576054706906
Energy: 0.7899392360181777
Energy: 0.8773634144272094
Energy: 0.770921098949139
Energy: 0.770564767986556
Energy: 0.8287388645716629
Energy: 0.7709345721768625
Energy: 0.7708643191728627
Energy: 0.9338083105432003
Energy: 0.8070461845266714
Energy: 0.8122774365455537
Energy: 0.7502924184394929
Energy: 0.8082368401943927
Energy: 0.8008061405607195
Energy: 0.9303541652447707
Energy: 0.7457463335950515
Energy: 0.810558452922646
Energy: 0.8395882922104503
Energy: 0.8148331082866357
Energy: 0.7394951528310436
Energy: 0.9333432814731327
Energy: 0.7546033830752081
Energy: 0.7454152642080429
Energy: 0.7596099079177644
Energy: 0.7354736616541053
Energy: 0.7577370281505184
Energy: 0.992249515522811
Energy: 0.7324327108755468
Energy: 0.7316974307468586
Energy: 0.7584587388726152
Energy: 0.7367512609141418
Energy: 0.7429829233497609
Energy: 0.9978051841140526
Energy: 0.7303392479235974
Energy: 0.7301397243103914
Energy: 0.7581782689678634
Energy: 0.7414113248959813
Energy: 0.7434591577654153
Energy: 1.0642446584999863
Energy: 0.7375017947368367
Energy: 0.7368903224549754
Energy: 0.7362465267563436
Energy: 0.7294936463467754
Energy: 0.7372025116500518
Energy: 1.2617808187932038
Energy: 0.7715836754100717
Energy: 0.7471380372330084
Energy: 0.7246630059166648
Energy: 0.7449820822955808
Energy: 0.7543706792664996

minimum gb energy = 0.6990176729861873 eV
minimum distance =  2.50790791641667 Angstroms
sigma value = 51


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

Energy: 1.284363087126288
Energy: 0.7394033877371174
Energy: 0.7398782383228221
Energy: 0.8149630150911001
Energy: 0.7792460083577755
Energy: 0.8167047742668974
Energy: 1.0313478077921043
Energy: 0.7610550200716215
Energy: 0.7388354074512328
Energy: 0.7256627621441488
Energy: 0.7605622770553614
Energy: 0.7396495196281159
Energy: 1.1145365653121824
Energy: 0.7615680429244615
Energy: 0.7515730786892229
Energy: 0.7684766173068998
Energy: 0.7804025567959332
Energy: 0.7721729727788841
Energy: 1.1148311360392906
Energy: 0.7701933925092884
Energy: 0.7707711539803511
Energy: 0.7702890347232592
Energy: 0.7510489278638417
Energy: 0.7501284442331521
Energy: 0.965079050089604
Energy: 0.7691468124078968
Energy: 0.7848544195290442
Energy: 0.7254175716028787
Energy: 0.7850087990461521
Energy: 0.7856540489319321
Energy: 0.9639271467541894
Energy: 0.7846773766081783
Energy: 0.7849682049758144
Energy: 0.785260734519936
Energy: 0.7853875023982834
Energy: 0.784286097652078
Energy: 0.9643484042216701
Energy: 0.7256185245823829
Energy: 0.7255580342922968
Energy: 0.785108443774192
Energy: 0.7251206981907349
Energy: 0.7905047923416669
Energy: 0.9564596055790554
Energy: 0.7556437387143431
Energy: 0.7614883772238856
Energy: 0.7715301236819672
Energy: 0.7558922931166114
Energy: 0.7611926086598063
Energy: 0.822213858125946
Energy: 0.7567285338834562
Energy: 0.7561376846515708
Energy: 0.7813629352676669
Energy: 0.756912856639034
Energy: 0.7773338063935924
Energy: 0.8228673140374585
Energy: 0.7262216331462032
Energy: 0.7638705608035345
Energy: 0.7808867786246333
Energy: 0.727021738680025
Energy: 0.7396387902427931
Energy: 0.8242152527123713
Energy: 0.7138573349250339
Energy: 0.7660718538713328
Energy: 0.7806026292408955
Energy: 0.7124060768250489
Energy: 0.7694941499994992
Energy: 0.8568385215016142
Energy: 0.7269654656670563
Energy: 0.762012794815941
Energy: 0.7776522304456328
Energy: 0.781293555878742
Energy: 0.770542676363697
Energy: 0.8556459593871255
Energy: 0.769446677741656
Energy: 0.7685997730452606
Energy: 0.7879247685948852
Energy: 0.7683569008995764
Energy: 0.7779008852451188
Energy: 0.8565533815675453
Energy: 0.7509430492026895
Energy: 0.7405756151276678
Energy: 0.7514393696020234
Energy: 0.7520299085259382
Energy: 0.7402088446743167
Energy: 1.0310391022528527
Energy: 0.7497875630695597
Energy: 0.7733186351729833
Energy: 0.7776337927831566
Energy: 0.7474053293585984
Energy: 0.7685691456851322
Energy: 1.0299658228186286
Energy: 0.7623386476834633
Energy: 0.753560826051236
Energy: 0.7278124530122877
Energy: 0.7611360776372543
Energy: 0.7267021233017261
Energy: 1.0356848677389305
Energy: 0.7888251892041265
Energy: 0.7398824548455634
Energy: 0.7706941988625635
Energy: 0.7619150168718136
Energy: 0.7395989936671509
Energy: 1.19831111500181
Energy: 0.754381080924766
Energy: 0.7407713323057945
Energy: 0.7532407771032743
Energy: 0.7614883643446283
Energy: 0.7730906770868212

minimum gb energy = 0.7124060768250489 eV
minimum distance =  2.52389503535175 Angstroms
sigma value = 19


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

Energy: 1.0699921687110963
Energy: 0.7438234662540315
Energy: 0.7417031529587358
Energy: 0.8409620211707285
Energy: 0.7570520838890424
Energy: 0.7437936931941143
Energy: 1.0671979167330177
Energy: 0.7536666667872669
Energy: 0.7537913980337774
Energy: 0.7665904540838818
Energy: 0.7536103371108209
Energy: 0.7443875861515176
Energy: 1.113899309741893
Energy: 0.7538908444585141
Energy: 0.752811146507357
Energy: 0.7679581726868615
Energy: 0.7540250280328618
Energy: 0.7534284520797051
Energy: 0.9029286960983867
Energy: 0.7547097466245531
Energy: 0.752137495579133
Energy: 0.7367473329757906
Energy: 0.7532184791204974
Energy: 0.7527138226937432
Energy: 0.9075361114475908
Energy: 0.7537704730811824
Energy: 0.7701610139950317
Energy: 0.768842653786716
Energy: 0.7531047284014734
Energy: 0.779486387939195
Energy: 0.9064949171951517
Energy: 0.7078333652464145
Energy: 0.7730766869319834
Energy: 0.7683082183501667
Energy: 0.7004121458674297
Energy: 0.7629576635589624
Energy: 0.9071303330267204
Energy: 0.7709739469443321
Energy: 0.7655951581861922
Energy: 0.7673893415752743
Energy: 0.7398714386793447
Energy: 0.7658879884315799
Energy: 0.8556380644834298
Energy: 0.6993434533764775
Energy: 0.7000414044857561
Energy: 0.7533997727685344
Energy: 0.7002773759079792
Energy: 0.7012324353384206
Energy: 0.7548949993074787
Energy: 0.6995061718917074
Energy: 0.6993698149779534
Energy: 0.7539901065120147
Energy: 0.6997645968262386
Energy: 0.6999689840998764
Energy: 0.7545705818178506
Energy: 0.7438092328104916
Energy: 0.7424819664899036
Energy: 0.7544738232969084
Energy: 0.7696624271505753
Energy: 0.7535987088378971
Energy: 0.7530134507119036
Energy: 0.7370984236036398
Energy: 0.7376625363790372
Energy: 0.7535230418690901
Energy: 0.737154117178195
Energy: 0.7468938392904252
Energy: 0.9069023566860362
Energy: 0.7713435087400417
Energy: 0.765801848733851
Energy: 0.7532430287756231
Energy: 0.7693969063933094
Energy: 0.75260262744615
Energy: 0.7315312976908266
Energy: 0.7664157945182846
Energy: 0.7524271402433462
Energy: 0.7003524039018431
Energy: 0.7658594649361233
Energy: 0.7689049648531433
Energy: 0.9072009764106932
Energy: 0.7700218287350774
Energy: 0.7693745791648335
Energy: 0.755004211692654
Energy: 0.7695465081282908
Energy: 0.7676834681722754
Energy: 1.0676302261159725
Energy: 0.7421713475882405
Energy: 0.7421352762440661
Energy: 0.6992934675271758
Energy: 0.7524584655356801
Energy: 0.6994930294575246
Energy: 1.0672521825712924
Energy: 0.7686089697523472
Energy: 0.6999745150254254
Energy: 0.7013762908547401
Energy: 0.7549122884166637
Energy: 0.7020131326766523
Energy: 0.9071470293455528
Energy: 0.7538332532241417
Energy: 0.7546600638694887
Energy: 0.767327073456222
Energy: 0.7534976697824897
Energy: 0.7532400805028968
Energy: 0.9030906148891393
Energy: 0.7529490432627781
Energy: 0.7522067402524267
Energy: 0.7370659437711332
Energy: 0.7535519717040432
Energy: 0.7452201506950359
Energy: 0.901830082374115
Energy: 0.7529695936645381
Energy: 0.7526967409944136
Energy: 0.7363572223801025
Energy: 0.7542596028601342
Energy: 0.7518642723812955
Energy: 0.9072473864781324
Energy: 0.7010373651615512
Energy: 0.7696090767063699
Energy: 0.7666475418646819
Energy: 0.7017041322740211
Energy: 0.7700901831253147
Energy: 0.9050665619979805
Energy: 0.7586955652144879
Energy: 0.7680880274045141
Energy: 0.7698152502647803
Energy: 0.7546107111858179
Energy: 0.7686625432318258
Energy: 0.9071089028078893
Energy: 0.7793584598061402
Energy: 0.7783364712571598
Energy: 0.7662355402913692
Energy: 0.7407074571998268
Energy: 0.7747856870349907
Energy: 0.8566257013458195
Energy: 0.700027894298663
Energy: 0.7004147115690881
Energy: 0.8567132512016681
Energy: 0.7002744686951068
Energy: 0.7424614678750323
Energy: 0.7549031678980271
Energy: 0.7438637723226429
Energy: 0.7426413354005448
Energy: 0.7537080712091386
Energy: 0.7319180865951882
Energy: 0.7546034735699632
Energy: 0.754735134503633
Energy: 0.7317899781025078
Energy: 0.7461992837039725
Energy: 0.754249319675662
Energy: 0.7685391584545211
Energy: 0.7525603129663613
Energy: 0.8582329664077429
Energy: 0.737010693423556
Energy: 0.736568744794932
Energy: 0.7431540884111948
Energy: 0.7369785786644648
Energy: 0.7517262195855199
Energy: 0.9072721948861183
Energy: 0.7669330521081537
Energy: 0.7677679843409416
Energy: 0.7537585483341609
Energy: 0.7691545826179379
Energy: 0.7774212167589416
Energy: 0.731730944285927
Energy: 0.7672685465904602
Energy: 0.7641299568444486
Energy: 0.7146680381761549
Energy: 0.7679529711048891
Energy: 0.763694574852096
Energy: 0.8556958711285745
Energy: 0.767405028729673
Energy: 0.7661576997768823
Energy: 0.7407268685259311
Energy: 0.7676171399300303
Energy: 0.764595138677306
Energy: 1.0656075968202323
Energy: 0.7446932447956214
Energy: 0.7007945159325358
Energy: 0.7011540445062907
Energy: 0.7441682363151245
Energy: 0.702198567472019

minimum gb energy = 0.6992934675271758 eV
minimum distance =  2.60800025431934 Angstroms
sigma value = 27


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

Energy: 0.9048009292652819
Energy: 0.7998630031441704
Energy: 0.8866189301000617
Energy: 0.7181342940839136
Energy: 0.7107619105287011
Energy: 0.886220722247522
Energy: 0.7958568938638396
Energy: 0.7452240561292399
Energy: 0.6754227692457303
Energy: 0.6802774446124998
Energy: 0.745750720469164
Energy: 0.6441914081949421
Energy: 0.8109266045712843
Energy: 0.744497978010575
Energy: 0.6751195454161978
Energy: 0.6439174825610353
Energy: 0.7444558402981565
Energy: 0.6757069973400857
Energy: 0.7945993080662771
Energy: 0.6442911900478766
Energy: 0.6437698516908412
Energy: 0.6845662159862428
Energy: 0.709131656561921
Energy: 0.6437299319802169
Energy: 0.8897748540108202
Energy: 0.6425605624135781
Energy: 0.6446800897626035
Energy: 0.7087260384621589
Energy: 0.6720436442239945
Energy: 0.6448826585796748
Energy: 0.7583741813955618
Energy: 0.6721282289548496
Energy: 0.6728414618939643
Energy: 0.7427017997077745
Energy: 0.6717729792443056
Energy: 0.6722550965982498
Energy: 0.7606686278249253
Energy: 0.6778029586435688
Energy: 0.6757384039181624
Energy: 0.7469968878327138
Energy: 0.6785141498493911
Energy: 0.6755802973918241
Energy: 0.761758508430803
Energy: 0.6777302207589387
Energy: 0.6711959904691559
Energy: 0.7428825223564519
Energy: 0.6784024008023204
Energy: 0.6716879956261619
Energy: 0.8111269946526984
Energy: 0.6799055924442743
Energy: 0.67508224727508
Energy: 0.7421366197667126
Energy: 0.6718484038902128
Energy: 0.6440940361046084
Energy: 0.8121711669147695
Energy: 0.6748252453843772
Energy: 0.6737825010492532
Energy: 0.7093073707502678
Energy: 0.675986128073211
Energy: 0.6749593265550974
Energy: 0.811399140572496
Energy: 0.7272149023014881
Energy: 0.7106674761069135
Energy: 0.675475455364075
Energy: 0.7293624118361118
Energy: 0.706740498811061
Energy: 0.8107474320644096
Energy: 0.6760392134226756
Energy: 0.6747621638251495
Energy: 0.6804665957782731
Energy: 0.6761187334662507
Energy: 0.6444097387897796

minimum gb energy = 0.6425605624135781 eV
minimum distance =  2.61498708858922 Angstroms
sigma value = 9


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

Energy: 1.5547698137680899
Energy: 0.6357503800683667
Energy: 0.6337523361512811
Energy: 0.6409374952049275
Energy: 0.6301287740812115
Energy: 0.7712267433504985
Energy: 0.6320038752531832
Energy: 0.6093524049207543
Energy: 0.6323787625389549
Energy: 0.6165072638431731
Energy: 0.6448315154881034
Energy: 0.6157923028816482
Energy: 0.6869178254918316
Energy: 0.6316655401414927
Energy: 0.6341209876072476
Energy: 0.6391849590299984
Energy: 0.6446886638495521
Energy: 0.6363188375531883
Energy: 0.6873160836218439
Energy: 0.5952564154420023
Energy: 0.5951105977853277
Energy: 0.6356448485111524
Energy: 0.596657348928181
Energy: 0.5970482003249952
Energy: 0.7254185156028119
Energy: 0.597406496614379
Energy: 0.5842248362113933
Energy: 0.651166217329455
Energy: 0.6210706282032682
Energy: 0.6251973070785516
Energy: 0.6617837296058644
Energy: 0.5957764615735421
Energy: 0.6182718075278619
Energy: 0.6619593237120325
Energy: 0.6245717818172315
Energy: 0.6310993280695842
Energy: 0.661752694052203
Energy: 0.5958017209416001
Energy: 0.5955323840987597
Energy: 0.6630699001735696
Energy: 0.598594765630119
Energy: 0.5957444792227756
Energy: 0.6619604386451559
Energy: 0.6203205060804867
Energy: 0.6154383767819733
Energy: 0.6622390788579279
Energy: 0.6274183960959225
Energy: 0.633034309755641
Energy: 0.7924171319797286
Energy: 0.6169291738068075
Energy: 0.6233795917677875
Energy: 0.6272471968879075
Energy: 0.6419678052886857
Energy: 0.5891788352602177
Energy: 0.6313863676059892
Energy: 0.5958160279173956
Energy: 0.595911229254975
Energy: 0.6297829859991744
Energy: 0.5979735902606433
Energy: 0.5944400041432367
Energy: 0.6314853790274749
Energy: 0.6543831680792542
Energy: 0.5964984161778882
Energy: 0.6326328211393046
Energy: 0.662491418353858
Energy: 0.5980091239260797
Energy: 0.7404876344473407
Energy: 0.640828214545426
Energy: 0.6140017039875845
Energy: 0.6105671019365977
Energy: 0.6627637606079593
Energy: 0.5900107584941973
Energy: 0.8247788786491489
Energy: 0.6272115833811183
Energy: 0.6342002722706876
Energy: 0.6166061726655159
Energy: 0.6405706170133375
Energy: 0.652417967734495
Energy: 0.7391956156236693
Energy: 0.625087202185921
Energy: 0.6258954111838717
Energy: 0.6107093567750838
Energy: 0.6302690763149899
Energy: 0.6269304632510769
Energy: 0.6553134862354552
Energy: 0.6240382893211851
Energy: 0.6238665541144035
Energy: 0.6455806415242571
Energy: 0.6274447987838466
Energy: 0.671969845801674
Energy: 0.6539905552871645
Energy: 0.6130863551161276
Energy: 0.6151331441233979
Energy: 0.6450051827681657
Energy: 0.6376629731672359
Energy: 0.6227264960278123
Energy: 0.6547368146133005
Energy: 0.5891384578596907
Energy: 0.5889750087370014
Energy: 0.6445893110794522
Energy: 0.6096133192510096
Energy: 0.618035137330108
Energy: 0.7134682687294488
Energy: 0.6205694998213428
Energy: 0.5963929692328003
Energy: 0.6336779280267577
Energy: 0.6204086734615685
Energy: 0.5941412348395078
Energy: 0.6872937532993557
Energy: 0.6144577932741185
Energy: 0.6147966919821302
Energy: 0.619970618600905
Energy: 0.6128992306906283
Energy: 0.6156567631227967
Energy: 0.6872066170361746
Energy: 0.6205494001775947
Energy: 0.6135933291118929
Energy: 0.6201800115991906
Energy: 0.631848160764574
Energy: 0.6144061928048614
Energy: 0.6867440554017639
Energy: 0.6204828690973944
Energy: 0.6179133035117546
Energy: 0.6127109855253468
Energy: 0.6244893526220174
Energy: 0.6213024575122573
Energy: 0.7183912933875715
Energy: 0.610862343867899
Energy: 0.6106751780071727
Energy: 0.6101626296449966
Energy: 0.6343350282193436
Energy: 0.6094011493948019
Energy: 0.7143243685846171
Energy: 0.6098337202769467
Energy: 0.6251044055058309
Energy: 0.6209794419909295
Energy: 0.6354890310622813
Energy: 0.5930899342141026
Energy: 0.6868853964125616
Energy: 0.6059809034230427
Energy: 0.6215429974027618
Energy: 0.6382264457983603
Energy: 0.6546019556802487
Energy: 0.6241994313620461
Energy: 0.9416928493669126
Energy: 0.6498815053268862
Energy: 0.624397276326218
Energy: 0.6152955775695492
Energy: 0.645754411871989
Energy: 0.6266462771115915
Energy: 0.686420696609542
Energy: 0.5964697969476236
Energy: 0.5913150766404374
Energy: 0.6536066710657115
Energy: 0.6106967791659621
Energy: 0.6251775383746053
Energy: 0.6355347547943971
Energy: 0.5955427959482855
Energy: 0.5954114739700481
Energy: 0.6357748162699147
Energy: 0.5962304504812013
Energy: 0.6318708475359419
Energy: 0.6627301736739398
Energy: 0.5960015915979817
Energy: 0.5902459001726017
Energy: 0.6625242501116002
Energy: 0.610786583846481
Energy: 0.5900688270655777
Energy: 0.6624240182909911
Energy: 0.5904905646142845
Energy: 0.5914025003770393
Energy: 0.662607259721768
Energy: 0.6275893272846762
Energy: 0.6220744304251343
Energy: 0.6567818966925556
Energy: 0.6372139355081773
Energy: 0.6312942071928924
Energy: 0.6525116338850809
Energy: 0.627760947888101
Energy: 0.5959123572652755
Energy: 0.6315750847503907
Energy: 0.5968543620617952
Energy: 0.5970089052261475
Energy: 0.6317673232657027
Energy: 0.6278310021226172
Energy: 0.646674054960942
Energy: 0.6315277928913865
Energy: 0.6291423646127111
Energy: 0.618407113127918
Energy: 0.6295674684088645
Energy: 0.6615182770687352
Energy: 0.5945403062330139
Energy: 0.8159668277168534
Energy: 0.6437873217899167
Energy: 0.6568057368926635
Energy: 0.6161738893043589
Energy: 0.6641759020765983
Energy: 0.5957494273840278
Energy: 0.6780772189252801
Energy: 0.6408493623622983
Energy: 0.6093923207575416
Energy: 0.6281853217378389
Energy: 0.6617783315367836
Energy: 0.5946540638572685
Energy: 0.6734525530642292
Energy: 0.6023954049682255
Energy: 0.6258676020879245
Energy: 0.630665007328489
Energy: 0.6293996333022736
Energy: 0.6261693328623316
Energy: 0.6763552012345444
Energy: 0.6251761256231068
Energy: 0.5979103518053562
Energy: 0.6473644969100515
Energy: 0.6271571467509637
Energy: 0.5978757703981232
Energy: 0.654847187629986
Energy: 0.6210625067191174
Energy: 0.6239726625879235
Energy: 0.6454416873579891
Energy: 0.6347692991059489
Energy: 0.6227717604682371
Energy: 0.6548897688217897
Energy: 0.6174988888121599
Energy: 0.617525673201015
Energy: 0.6442953265623258
Energy: 0.6169334747083665
Energy: 0.6129415136317472
Energy: 0.6778104852248067
Energy: 0.5954111762469979
Energy: 0.5943267892446916
Energy: 0.6103229530273558
Energy: 0.5963000913082811
Energy: 0.629244899711843
Energy: 0.6871849987752006
Energy: 0.6184019292000354
Energy: 0.6197645301328827
Energy: 0.6445032092784506
Energy: 0.6171696561712057
Energy: 0.613315150559429
Energy: 0.6842176495498903
Energy: 0.6243724012134484
Energy: 0.6120069391035123
Energy: 0.6193966254880647
Energy: 0.6224554287228903
Energy: 0.6135152379471369
Energy: 0.6871522436619194
Energy: 0.6337148979249317
Energy: 0.6111221191646898
Energy: 0.610517350433003
Energy: 0.633208697220942
Energy: 0.6108842374856028
Energy: 0.7145947826742378
Energy: 0.5953703384755996
Energy: 0.6252782498731451
Energy: 0.6211481212129104
Energy: 0.6368006013260598
Energy: 0.5924811665426782

minimum gb energy = 0.5842248362113933 eV
minimum distance =  2.56534140598559 Angstroms
sigma value = 57


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

Energy: 0.5844291950246532
Energy: 0.5454974888070385
Energy: 0.30241704629210014
Energy: 0.3019109301220909
Energy: 0.5069453728376064
Energy: 0.5617377549065866
Energy: 0.5617042776823395
Energy: 0.5315787059448194
Energy: 0.5284568292619025
Energy: 0.5150909413394985
Energy: 0.5312556478762827
Energy: 0.5345965022133116
Energy: 0.743336418206622
Energy: 0.6837046589095301
Energy: 0.5340003022177889
Energy: 0.51158102499358
Energy: 0.5150791564823725
Energy: 0.6820563604149068
Energy: 0.7433173769590073
Energy: 0.6883428538120056
Energy: 0.6673076062456187
Energy: 0.6676061386362405
Energy: 0.5159362927418977
Energy: 0.6653712776422099
Energy: 0.7414785414278867
Energy: 0.43805400414040735
Energy: 0.41784850461430434
Energy: 0.5458483725874699
Energy: 0.3021728707701716
Energy: 0.6725157138158093
Energy: 0.6603976618948924
Energy: 0.44121189521399096
Energy: 0.4386420528170879
Energy: 0.6833366838989354
Energy: 0.3071189195173568
Energy: 0.3259980665897244
Energy: 0.6859540814728262
Energy: 0.676189713968515
Energy: 0.6748253414152809
Energy: 0.662135314897378
Energy: 0.6950533075778251
Energy: 0.672370871049288
Energy: 0.7223480120269382
Energy: 0.7663338235519004
Energy: 0.7745391917675344
Energy: 0.6832770943335351
Energy: 0.7897077359856638
Energy: 0.685679722239745
Energy: 0.7806978730311629
Energy: 0.7813487160788976
Energy: 0.7747486806285248
Energy: 0.7985352265075448
Energy: 0.7912209596452888
Energy: 0.7825625257014619
Energy: 0.3008312520359769
Energy: 0.763987530211913
Energy: 0.30323251766749804
Energy: 0.3013813733310681
Energy: 0.7958853132482897
Energy: 0.3217914659690316
Energy: 0.3010676649042382
Energy: 0.7867058980142088
Energy: 0.7938655450992933
Energy: 0.30143205492940994
Energy: 0.7761863757592538
Energy: 0.3025605257873571
Energy: 0.7815354189538589
Energy: 0.7870997275336368
Energy: 0.7790008131768623
Energy: 0.771555319550273
Energy: 0.7776054525156909
Energy: 0.7743096333530861
Energy: 0.6982752940145128
Energy: 0.6648597260640562
Energy: 0.6771765584741525
Energy: 0.7091816870915666
Energy: 0.7271324422608341
Energy: 0.7840721019352284
Energy: 0.7001419240104763
Energy: 0.6841734312937701
Energy: 0.678265605599343
Energy: 0.7005534570917609
Energy: 0.7075404743831114
Energy: 0.6774974111977465
Energy: 0.6789379601921134
Energy: 0.3107218662168857
Energy: 0.30274245876124306
Energy: 0.686942910243942
Energy: 0.4429780406514771
Energy: 0.4454880617795945
Energy: 0.7117413249444616
Energy: 0.6584777189248059
Energy: 0.6608745209359635
Energy: 0.6635069807950197
Energy: 0.44120715996952964
Energy: 0.6852593497856837
Energy: 0.7129967255186401
Energy: 0.5226274669328873
Energy: 0.5312849184713987
Energy: 0.541038405454785
Energy: 0.5246593581433735
Energy: 0.7133291239909664
Energy: 0.7429882246828363
Energy: 0.512595249382264
Energy: 0.5350197374400992
Energy: 0.5160171027478427
Energy: 0.5122952847781803
Energy: 0.5411309998478719
Energy: 0.5838000693629302
Energy: 0.5308134140969942
Energy: 0.5251475250345066
Energy: 0.3016666432572804
Energy: 0.5165481761076974
Energy: 0.524624784860851

minimum gb energy = 0.3008312520359769 eV
minimum distance =  2.54823694875211 Angstroms
sigma value = 11


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

Energy: 1.2893004938989632
Energy: 0.5095976068751878
Energy: 0.6074672538101512
Energy: 0.5335854340971198
Energy: 0.5083691137706371
Energy: 0.5882165273696891
Energy: 0.5168977301488994
Energy: 0.5085521083296698
Energy: 0.5108273886186817
Energy: 0.5038566031529191
Energy: 0.5055856695092514
Energy: 0.502520566502733
Energy: 0.5079461490824555
Energy: 0.5150823806834264
Energy: 0.5076282381860293
Energy: 0.507720514781235
Energy: 0.5142812410213599
Energy: 0.5042178322285865
Energy: 0.5075168174436889
Energy: 0.5230107817371499
Energy: 0.5026626279208235
Energy: 0.5074393171593392
Energy: 0.5080997257399805
Energy: 0.5108393638205225
Energy: 0.5010115264370798
Energy: 0.5866438832775198
Energy: 0.5884409986805098
Energy: 0.5152431848044763
Energy: 0.5576318239880632
Energy: 0.5092311572548095
Energy: 0.5449403699573585
Energy: 0.5576415602428569
Energy: 0.5606153633705335
Energy: 0.5052549537493684
Energy: 0.5171881721947765
Energy: 0.5858483249983912
Energy: 0.5488361794536902
Energy: 0.5083253326771537
Energy: 0.5118428558787251
Energy: 0.5042099919280717
Energy: 0.5150486470036537
Energy: 0.5046651466032451
Energy: 0.5196610632725975
Energy: 0.5231314420783904
Energy: 0.5207753534252815
Energy: 0.5190882974133844
Energy: 0.522216955586165
Energy: 0.508803922781414
Energy: 0.549052429843962
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Energy: 0.5019289962403585
Energy: 0.5153546684827536
Energy: 0.5058534979044181
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Energy: 0.579039049501774
Energy: 0.542619693738994
Energy: 0.5547436148117487
Energy: 0.5147859650792722
Energy: 0.5424046245773901
Energy: 0.5572644230547256
Energy: 0.5756652812408961
Energy: 0.5411601146095842
Energy: 0.5430497733078284
Energy: 0.5567729956428652
Energy: 0.5408056443859004
Energy: 0.5848762298313585
Energy: 0.6466727834300812
Energy: 0.48756342752420545
Energy: 0.5028922252678016
Energy: 0.600415430088293
Energy: 0.4910250203268512
Energy: 0.5036113756006239
Energy: 0.6185346352049932
Energy: 0.4869364743381067
Energy: 0.48592900834054076
Energy: 0.5292233176810027
Energy: 0.49278566578654504
Energy: 0.5034263546019389
Energy: 0.6183056108731865
Energy: 0.5866860845333598
Energy: 0.5838235090606197
Energy: 0.5841045357358462
Energy: 0.5885426700443863
Energy: 0.5860142693921477
Energy: 0.6206052269026526
Energy: 0.5294756087948795
Energy: 0.5316197884366146
Energy: 0.5630168007941163
Energy: 0.5284615258263643
Energy: 0.6832721092527226
Energy: 0.7803430861893568
Energy: 0.5889418263765284
Energy: 0.5863528239836452
Energy: 0.5847235356790811
Energy: 0.5923672972689245
Energy: 0.5847954859193061
Energy: 0.8699957253985334
Energy: 0.5543354675578968
Energy: 0.5045972256996196
Energy: 0.5160112701017828
Energy: 0.5548097564417486
Energy: 0.4865204579426054
Energy: 0.5898343851606784
Energy: 0.5432266037120541
Energy: 0.5881107259727881
Energy: 0.4866150364043684
Energy: 0.541771420500329
Energy: 0.5874766845973273
Energy: 0.5854922293612234
Energy: 0.5085473566616155
Energy: 0.5609731357467427
Energy: 0.5143921794769402
Energy: 0.5067552272143223
Energy: 0.5590660922356656
Energy: 0.6944380440184598
Energy: 0.5169382274903203
Energy: 0.5173216999791768
Energy: 0.5120891380995345
Energy: 0.6143397683381079
Energy: 0.5050861452766365
Energy: 0.7797826226786376
Energy: 0.5544964565534577
Energy: 0.545734519740236
Energy: 0.5511792720618781
Energy: 0.587317277317759
Energy: 0.5438657341358305
Energy: 0.7154796281874051
Energy: 0.5254655111763922
Energy: 0.49254785653028776
Energy: 0.6913780847653855
Energy: 0.527596741969936
Energy: 0.5947634435664104
Energy: 0.504790385298065
Energy: 0.5548114151683511
Energy: 0.5468290519598124
Energy: 0.5424046823128739
Energy: 0.5528285633542739
Energy: 0.54490638151672
Energy: 0.5047621866432801
Energy: 0.5097626767530992
Energy: 0.5043095996715319
Energy: 0.5045425177588924
Energy: 0.508823089448217
Energy: 0.5056392969731303
Energy: 0.5277577249380127
Energy: 0.5080905739884669
Energy: 0.5133411556127353
Energy: 0.5099914555038843
Energy: 0.5062294433915795
Energy: 0.5036069453181834
Energy: 0.5801887321315377
Energy: 0.5062781828896376
Energy: 0.5081587748967723
Energy: 0.5405090258172874
Energy: 0.5035801544150189
Energy: 0.5510237069328374

minimum gb energy = 0.48592900834054076 eV
minimum distance =  2.56595485981939 Angstroms
sigma value = 41


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

Energy: 1.207569128713464
Energy: 0.5946937287354913
Energy: 0.5921214722392438
Energy: 0.5513628462533653
Energy: 0.5600430541801348
Energy: 0.5497963966176894
Energy: 0.6284803798472215
Energy: 0.5452903003175459
Energy: 0.5438202645939444
Energy: 0.5476144317215175
Energy: 0.5625700753308585
Energy: 0.5440259466591724
Energy: 0.5484490009955681
Energy: 0.5449288323297232
Energy: 0.5449823368868683
Energy: 0.5490376532949128
Energy: 0.5468250752146667
Energy: 0.544245355841101
Energy: 0.5479236092620602
Energy: 0.5448357669206726
Energy: 0.5447207151831095
Energy: 0.5482415344501437
Energy: 0.5489441076490739
Energy: 0.5487868593210878
Energy: 0.5461727898260834
Energy: 0.5448635225581449
Energy: 0.5512315420333532
Energy: 0.5617363541155899
Energy: 0.5442475117425578
Energy: 0.5503480417227283
Energy: 0.6163548376362847
Energy: 0.5497696697208968
Energy: 0.5498466735467307
Energy: 0.5617370047545309
Energy: 0.5511956340375805
Energy: 0.5450104693295207
Energy: 0.6161321853054249
Energy: 0.5485581647533883
Energy: 0.5497137226579917
Energy: 0.5477662560784468
Energy: 0.5508558157244274
Energy: 0.5465835004930238
Energy: 0.5702160525268049
Energy: 0.5856220741119182
Energy: 0.5800373167143233
Energy: 0.521361944228049
Energy: 0.585639806864586
Energy: 0.5408092109798636
Energy: 0.6167257393110339
Energy: 0.5461545567064883
Energy: 0.5444300825749042
Energy: 0.5639586142340156
Energy: 0.549588311309043
Energy: 0.5443361807414905
Energy: 0.8460636940933074
Energy: 0.5440747579492607
Energy: 0.5464371947393892
Energy: 0.5483700287794416
Energy: 0.5506607136492456
Energy: 0.5495767070371234
Energy: 0.6164900633308147
Energy: 0.5502322596206826
Energy: 0.5438708822865224
Energy: 0.5497620272265318
Energy: 0.549836712743182
Energy: 0.5434036215489229
Energy: 0.6830818996916722
Energy: 0.5216133627870402
Energy: 0.5214414050658575
Energy: 0.5452800424396385
Energy: 0.5233181195833023
Energy: 0.5455620854318929
Energy: 0.550576070827124
Energy: 0.521662913758742
Energy: 0.5216806622631069
Energy: 0.5533947751760776
Energy: 0.5230183122395791
Energy: 0.5216626315627969
Energy: 0.5508444684579471
Energy: 0.550467307549251
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Energy: 0.5485222229930788
Energy: 0.5508342026335055
Energy: 0.5447546325643221
Energy: 0.5866615227669429
Energy: 0.5686916226723399
Energy: 0.5696304142853877
Energy: 0.5869936799074328
Energy: 0.5444554993860224
Energy: 0.5778752984238933
Energy: 0.547249687597475
Energy: 0.5467659011444924
Energy: 0.5456010025741812
Energy: 0.56305538167735
Energy: 0.5632401558915419
Energy: 0.5462911938198985
Energy: 1.1213371278131061
Energy: 0.5525967619149212
Energy: 0.556223518326326
Energy: 0.5234389500884109
Energy: 0.5489488492013377
Energy: 0.5215980310870617
Energy: 0.570505111514049
Energy: 0.5489664417500569
Energy: 0.5491617499494622
Energy: 0.51817197549279
Energy: 0.5587166128518644
Energy: 0.5224369553836076
Energy: 0.5500176475920775
Energy: 0.54619761048398
Energy: 0.545657430535185
Energy: 0.5488780031828491
Energy: 0.5494207716643447
Energy: 0.5459022625390203
Energy: 0.5473546069911186
Energy: 0.5447525875778435
Energy: 0.5457073730428662
Energy: 0.5488825806140465
Energy: 0.5499848730481283
Energy: 0.5464668869182513
Energy: 0.5467148970771556
Energy: 0.5452517333525884
Energy: 0.5440753818442893
Energy: 0.5633474954224579
Energy: 0.5474849379702174
Energy: 0.543839925278691
Energy: 0.5920361584576059
Energy: 0.5442357752648028
Energy: 0.590206936035102
Energy: 0.9108853698204508
Energy: 0.5462631120401621
Energy: 0.5773623942379674
Energy: 0.6165073711107931
Energy: 0.5467760633134949
Energy: 0.5453630722208289
Energy: 0.5625562151454303
Energy: 0.5479637369397107
Energy: 0.5448003818742571
Energy: 0.5704662179553114
Energy: 0.5860168670671958
Energy: 0.5454565199339118
Energy: 0.5214953123506424
Energy: 0.5869122869742193
Energy: 0.5427808145034619
Energy: 0.616642667382047
Energy: 0.5481561468391136
Energy: 0.550160582638973
Energy: 0.5633180375007644
Energy: 0.5490338237388226
Energy: 0.5472366491627199
Energy: 0.6162460911128219
Energy: 0.5508468601624371
Energy: 0.5446121140185729
Energy: 0.5503008149672536
Energy: 0.5537979914558947
Energy: 0.5440621078361559
Energy: 0.6156599379474799
Energy: 0.5433899347671658
Energy: 0.5465536849297781
Energy: 0.5481650908148282
Energy: 0.5511311842291663
Energy: 0.5495139518464569
Energy: 0.6164743126681599
Energy: 0.5551140518168093
Energy: 0.5504403938660838
Energy: 0.5629844624347172
Energy: 0.5381729241158123
Energy: 0.5544254322077449
Energy: 0.5498968184200229
Energy: 0.5213582573899592
Energy: 0.5211288680807536
Energy: 0.5760852084065369
Energy: 0.5224847329797462
Energy: 0.5217094550352452
Energy: 0.5510432426791769
Energy: 0.5519657847827387
Energy: 0.5502009334083195
Energy: 0.5466850835746437
Energy: 0.550585642988109
Energy: 0.5507153681609839
Energy: 0.5498593413586333
Energy: 0.5444990039092054
Energy: 0.5438676772653599
Energy: 0.5503970208093237
Energy: 0.5478596379694688
Energy: 0.5439126094670762
Energy: 0.5482951571885937
Energy: 0.5435359285873019
Energy: 0.5476913317997317
Energy: 0.5634050875228954
Energy: 0.5487219885365475
Energy: 0.5456913754080605
Energy: 0.6577389531855615
Energy: 0.548722165118095
Energy: 0.5231205659424969
Energy: 0.5326418716595147
Energy: 0.5480618635502719
Energy: 0.5227818194402104

minimum gb energy = 0.51817197549279 eV
minimum distance =  2.5772202007586 Angstroms
sigma value = 33


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

Energy: 0.7382243848597005
Energy: 0.5915425741556667
Energy: 0.5908251983538726
Energy: 0.5844025450569655
Energy: 0.6597670696241101
Energy: 0.5914668293057846
Energy: 0.6383431294362607
Energy: 0.584367618148333
Energy: 0.5847571596293597
Energy: 0.5985565664482708
Energy: 0.5975585081495823
Energy: 0.5844327495340599
Energy: 0.606418728544791
Energy: 0.5862641283171057
Energy: 0.5880248823518546
Energy: 0.5872726792493435
Energy: 0.5867883909945603
Energy: 0.5860528558054285
Energy: 0.6052993476282892
Energy: 0.5860784180667304
Energy: 0.5890406208644602
Energy: 0.5867812028076649
Energy: 0.5869667927127501
Energy: 0.5885133847233933
Energy: 0.6039329929507657
Energy: 0.5885098135490662
Energy: 0.5681081902018138
Energy: 0.6240621404883319
Energy: 0.6029957087525013
Energy: 0.5679941422439345
Energy: 0.6410377436641743
Energy: 0.589492705350781
Energy: 0.589793422049789
Energy: 0.5711381287251979
Energy: 0.59052719843235
Energy: 0.5899373409078805
Energy: 0.638437367460556
Energy: 0.5868770836575552
Energy: 0.5879265593645306
Energy: 0.5872970567705769
Energy: 0.6038314530309741
Energy: 0.60147067435868
Energy: 0.6356626555645165
Energy: 0.6112470884854202
Energy: 0.5852555440929139
Energy: 0.5679070842607904
Energy: 0.6110527857579139
Energy: 0.5859393750183546
Energy: 0.6409894804687423
Energy: 0.5678679252571297
Energy: 0.5684463102517596
Energy: 0.5710652228337877
Energy: 0.5697933239920118
Energy: 0.5694840183129468
Energy: 0.6960309786980285
Energy: 0.5863482395208968
Energy: 0.585542744142568
Energy: 0.5864024233312799
Energy: 0.585870084208541
Energy: 0.5930135469310301
Energy: 0.6396725602862563
Energy: 0.5888311027492246
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Energy: 0.5864972789568321
Energy: 0.5904483255856117
Energy: 0.5875381409272872
Energy: 0.6391239137430567
Energy: 0.566926295001404
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Energy: 0.5870520636195543
Energy: 0.5744340201325695
Energy: 0.5667384933254458
Energy: 0.6486733493397038
Energy: 0.5672212384390638
Energy: 0.5671532491404322
Energy: 0.5688009138679647
Energy: 0.5778447435122688
Energy: 0.5669832217611623
Energy: 0.6084959966994409
Energy: 0.587475356711574
Energy: 0.5867434830722731
Energy: 0.5986525099095009
Energy: 0.5873393948937028
Energy: 0.586346179899797
Energy: 0.567472548460011
Energy: 0.5878715129900952
Energy: 0.5870646430761836
Energy: 0.5869017828701946
Energy: 0.5881086448655718
Energy: 0.587660909936433
Energy: 0.6046376917861891
Energy: 0.5977595663128658
Energy: 0.5848839917357938
Energy: 0.618512256147801
Energy: 0.5977125593840812
Energy: 0.5856170452569461
Energy: 0.6403418601949196
Energy: 0.5861348795587927
Energy: 0.5859378899546601
Energy: 0.5909868374584454
Energy: 0.5887545013943289
Energy: 0.5937256060055442
Energy: 0.6399368171790906
Energy: 0.568175679625996
Energy: 0.5683939188446056
Energy: 0.6191091900890056
Energy: 0.571692102503955
Energy: 0.5686916982273325
Energy: 0.6048200400351013
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Energy: 0.5682399296735549
Energy: 0.5857212709908678
Energy: 0.5675681484728382
Energy: 0.5882386482361992
Energy: 0.5698351712921358
Energy: 0.5677611602917154
Energy: 0.567777213957764
Energy: 0.5906946050454072
Energy: 0.5677904161696322
Energy: 0.5898262956565441
Energy: 0.5686193496132697
Energy: 0.5704472498498706
Energy: 0.5686566057408728
Energy: 0.5697190883752272
Energy: 0.5700023800253338
Energy: 0.5685163545754575
Energy: 0.6458644326593509
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Energy: 0.5923214580311578
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Energy: 0.5931298175408101
Energy: 0.5853337893830677
Energy: 0.6040799126278318
Energy: 0.5853521718037082
Energy: 0.5856215964648895
Energy: 0.5887236521614584
Energy: 0.6186443673843526
Energy: 0.5970564400819062
Energy: 0.6391077929658511
Energy: 0.5814962753458365
Energy: 0.5670602259179149
Energy: 0.568544309152327
Energy: 0.582265637431151
Energy: 0.5672646895920681
Energy: 0.6383826788953343
Energy: 0.6159449203459365
Energy: 0.5854866167014707
Energy: 0.5977874755771553
Energy: 0.5874252598307721
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Energy: 0.589166175820548
Energy: 0.5919109889118863
Energy: 0.5865280205569017
Energy: 0.5858933947813242
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Energy: 0.6064488197320252
Energy: 0.58988586168986
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Energy: 0.5857116472073647
Energy: 0.5877672333684048
Energy: 0.5880752951197971
Energy: 0.6031068809657035
Energy: 0.5680963777106472
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Energy: 0.5892886930591841
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Energy: 0.566796136519
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Energy: 0.5680099007029935
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Energy: 0.584813873144117
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Energy: 0.586913599772784
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Energy: 0.5891341722581911
Energy: 0.5686769624022995
Energy: 0.5919458369229247
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Energy: 0.5684600764608834
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Energy: 0.5680026527787789
Energy: 0.5675334400821653
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Energy: 0.5674500530803419
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Energy: 0.5674470049143658
Energy: 0.5687991711896206
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Energy: 0.5683620840233334
Energy: 0.5706042238778716
Energy: 0.5705263296036264
Energy: 0.6435081097998411
Energy: 0.594760817238511
Energy: 0.6067606463026167
Energy: 0.6109972091225597
Energy: 0.5939836071722602
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Energy: 0.5867521811401967
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Energy: 0.6205654255732729
Energy: 0.5901150637565026
Energy: 0.7495945010496776
Energy: 0.5700865586649823
Energy: 0.5669432188848755
Energy: 0.5680158661417389
Energy: 0.5707227369955128
Energy: 0.5668983843466242

minimum gb energy = 0.5664717869376308 eV
minimum distance =  2.58529231417964 Angstroms
sigma value = 67


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

Energy: 0.8829961859084893
Energy: 0.629586250946203
Energy: 0.6300200150441668
Energy: 0.629691222116375
Energy: 0.6676992162644982
Energy: 0.63047929179433
Energy: 0.7068784518058879
Energy: 0.6231936974121026
Energy: 0.6224615015083428
Energy: 0.623221720971882
Energy: 0.6247854336258728
Energy: 0.6218487104702644
Energy: 0.6600404315682733
Energy: 0.6015764804751415
Energy: 0.6271212591575128
Energy: 0.625546034718953
Energy: 0.6004067911993682
Energy: 0.6267975449636681
Energy: 0.6598109141347686
Energy: 0.6243237649978827
Energy: 0.6249680875118023
Energy: 0.6233313714457539
Energy: 0.6241033844421043
Energy: 0.6250855544184603
Energy: 0.6571237157364774
Energy: 0.6246132574025716
Energy: 0.6250547134897291
Energy: 0.6282622595537691
Energy: 0.6245271327635122
Energy: 0.62551296485564
Energy: 0.6586751031885114
Energy: 0.6252300968975785
Energy: 0.6279138207723792
Energy: 0.6279611636928022
Energy: 0.6252112519769735
Energy: 0.6281523858765493
Energy: 0.7068391485099544
Energy: 0.6242603732998665
Energy: 0.6226016935017297
Energy: 0.598337647096605
Energy: 0.6244550237602703
Energy: 0.622136236304791

minimum gb energy = 0.598337647096605 eV
minimum distance =  2.62984947926894 Angstroms
sigma value = 3


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

Energy: 0.9554722077019844
Energy: 0.7272837620907922
Energy: 0.7323715377532333
Energy: 0.7745297947370662
Energy: 0.8286525664007572
Energy: 0.7296916143983916
Energy: 0.7400898212586688
Energy: 0.7506906584821944
Energy: 0.7301749281829751
Energy: 0.743415773593333
Energy: 0.7621889603586758
Energy: 0.7147673947032485
Energy: 0.755581359332863
Energy: 0.7241447591134723
Energy: 0.7229209788413643
Energy: 0.7555536924983832
Energy: 0.7233330949987884
Energy: 0.7206092657893416
Energy: 0.7160741673422363
Energy: 0.7158939424736294
Energy: 0.7184333394951694
Energy: 0.7166052273963263
Energy: 0.7296063470413544
Energy: 0.7194250001910995
Energy: 0.7255744253990138
Energy: 0.7146752795902913
Energy: 0.7134139337679308
Energy: 0.7161848912564652
Energy: 0.7294281106043984
Energy: 0.7159330490036978
Energy: 0.7150745835634628
Energy: 0.7184048645507334
Energy: 0.7124625485716914
Energy: 0.715708812359936
Energy: 0.7155769014614448
Energy: 0.7155377761559591
Energy: 0.7151342598042274
Energy: 0.7233136061511799
Energy: 0.7303934191019679
Energy: 0.7137678295646196
Energy: 0.7250043041377251
Energy: 0.7244048288986816
Energy: 0.9323258738045447
Energy: 0.7465126481212823
Energy: 0.7562795047116326
Energy: 0.7484673271368398
Energy: 0.7480871233347699
Energy: 0.7538430184454259
Energy: 0.720252889180454
Energy: 0.7223690913320986
Energy: 0.7297574314125141
Energy: 0.7160237829650512
Energy: 0.7087417839795507
Energy: 0.7389452069219239
Energy: 0.7186322903787264
Energy: 0.7122727808283682
Energy: 0.7116823780282626
Energy: 0.7587009124999065
Energy: 0.7129341262305612
Energy: 0.7474480201234317
Energy: 0.7410801057682231
Energy: 0.7163175302301631
Energy: 0.7322111697099863
Energy: 0.7366352260258126
Energy: 0.7077805736123712
Energy: 0.7386115396428005
Energy: 0.7581060520609171
Energy: 0.7116602235106322
Energy: 0.7105506217607503
Energy: 0.7207078554742201
Energy: 0.7180149102496116
Energy: 0.710717271290392
Energy: 0.7403474024317761
Energy: 0.7099175346307613
Energy: 0.7102230416700716
Energy: 0.7045613163264446
Energy: 0.7098745493051375
Energy: 0.7101973415291526
Energy: 0.769602588886878
Energy: 0.713289654798689
Energy: 0.7111203749315874
Energy: 0.7289346413864344
Energy: 0.7110034249286551
Energy: 0.7104037088518222
Energy: 0.7709786039974097
Energy: 0.7603930539279502
Energy: 0.781908104855223
Energy: 0.7225796300019461
Energy: 0.7601415353984434
Energy: 0.7140473130249507
Energy: 0.7553004547028849
Energy: 0.7450059174157548
Energy: 0.7440225163086577
Energy: 0.7484218688172132
Energy: 0.7495039902053086
Energy: 0.7453051675169375
Energy: 0.8333101406363095
Energy: 0.7230840253198711
Energy: 0.722804510080968
Energy: 0.7396622524603669
Energy: 0.7233279183423291
Energy: 0.709852244791653
Energy: 0.7197471885152179
Energy: 0.7327311662599292
Energy: 0.7274761847211818
Energy: 0.7219481166114309
Energy: 0.7166188120227628
Energy: 0.730478062978476
Energy: 0.8373691530691743
Energy: 0.7111370810876801
Energy: 0.7117903036929972
Energy: 0.7569592850018187
Energy: 0.7511937344124584
Energy: 0.7099028106692962
Energy: 0.8038029611360353
Energy: 0.7177672123896292
Energy: 0.7259233659670283
Energy: 0.7288169506549015
Energy: 0.7193101700260208
Energy: 0.7102050331207825
Energy: 0.7269093111906817
Energy: 0.7239358306528235
Energy: 0.7339125551925423
Energy: 0.7209886648270524
Energy: 0.7214284304608769
Energy: 0.7331733813025488
Energy: 0.7268005336742404
Energy: 0.7215270323284506
Energy: 0.7219421104383934
Energy: 0.7274272355224354
Energy: 0.7222485066706227
Energy: 0.7195091149932178
Energy: 0.7309432924556385
Energy: 0.7256287222618438
Energy: 0.7278958176260972
Energy: 0.7319347884331725
Energy: 0.7321598220215995
Energy: 0.7267075643021674
Energy: 0.7349005224951988
Energy: 0.7136108905207469
Energy: 0.7133559416340074
Energy: 0.7341695975109459
Energy: 0.7132761080813522
Energy: 0.7265244614546289
Energy: 0.7312594862337228
Energy: 0.7166796978382288
Energy: 0.7171958510030555
Energy: 0.7151195488768869
Energy: 0.7394194369913971
Energy: 0.717459217777819
Energy: 0.8540882480992359
Energy: 0.7674968347740457
Energy: 0.772385597686931
Energy: 0.7276113239364992
Energy: 0.7667100802013274
Energy: 0.7268339704779421
Energy: 0.6984601575203302
Energy: 0.7390669413511413
Energy: 0.7409174335076473
Energy: 0.7297241470877621
Energy: 0.7376494662022465
Energy: 0.7268838647402975
Energy: 0.7331959013631888
Energy: 0.7175234127299646
Energy: 0.7185665167840327
Energy: 0.7174229196706988
Energy: 0.7163198329900918
Energy: 0.7187833536027901
Energy: 0.7269677005307051
Energy: 0.7241157130152646
Energy: 0.7236652164961146
Energy: 0.7273878707494816
Energy: 0.724292016182644
Energy: 0.7260600007045013
Energy: 0.7270147574849992
Energy: 0.7277892719358454
Energy: 0.7317517829475465
Energy: 0.7284132785314695
Energy: 0.7269746856720368
Energy: 0.7290287640431695
Energy: 0.7279496476397115
Energy: 0.7258053308886308
Energy: 0.7253302615157396
Energy: 0.7297042566379963
Energy: 0.7292655131046084
Energy: 0.7324194088858578
Energy: 0.7348055543422041
Energy: 0.7260671507112691
Energy: 0.7274919955149947
Energy: 0.7195093233024734
Energy: 0.7260145277739631
Energy: 0.7277179214545145
Energy: 0.8891484015428172
Energy: 0.7233789543762735
Energy: 0.7355666521266787
Energy: 0.7103434901755148
Energy: 0.7247099024611974
Energy: 0.7223269540445065
Energy: 0.7327227636658109
Energy: 0.710211796668943
Energy: 0.7425695376977849
Energy: 0.7391457284714533
Energy: 0.7124039937634169
Energy: 0.7154125347620335
Energy: 0.7229799899525323
Energy: 0.7388766177366125
Energy: 0.7464330000899209
Energy: 0.7182211518163334
Energy: 0.7330811219535902
Energy: 0.7461201317191213
Energy: 0.7603943954760995
Energy: 0.7119529209572062
Energy: 0.7112470256868307
Energy: 0.741497864366153
Energy: 0.7124225264080674
Energy: 0.7469175255213493
Energy: 0.7590418684538096
Energy: 0.7118394526674482
Energy: 0.7278522522220962
Energy: 0.7228282286748443
Energy: 0.7069644745702769
Energy: 0.7125435179568431
Energy: 0.7409626091459866
Energy: 0.7121205909572765
Energy: 0.7110339899289906
Energy: 0.706285065645
Energy: 0.7141647675926773
Energy: 0.7113201975853167
Energy: 0.7732486958440401
Energy: 0.7174287327459606
Energy: 0.7090247830909577
Energy: 0.7404211304190587
Energy: 0.7141228786871564
Energy: 0.7100489314193867
Energy: 0.7723394483140377
Energy: 0.7136417814016403
Energy: 0.7134389543748607
Energy: 0.7224469792115211
Energy: 0.713680616391589
Energy: 0.7125813890606424
Energy: 0.7299850787676202
Energy: 0.7480012765369918
Energy: 0.719976555086304
Energy: 0.7414352673965434
Energy: 0.7439529212298637
Energy: 0.7506751389567085
Energy: 0.8053064231230205
Energy: 0.7281250865952679
Energy: 0.7258372252261251
Energy: 0.7617633962120302
Energy: 0.7388437129849502
Energy: 0.7294533907010833
Energy: 0.8954106448399003
Energy: 0.722486875996077
Energy: 0.7223860042043998
Energy: 0.7762249710547786
Energy: 0.7222254420572591
Energy: 0.7515127381171592
Energy: 0.7189870466391403
Energy: 0.7413379748338929
Energy: 0.7408528836180794
Energy: 0.7153674599686157
Energy: 0.7478578054799159
Energy: 0.7462884822333034
Energy: 0.907994797938057
Energy: 0.7147725270036422
Energy: 0.7372009492547563
Energy: 0.7889216678503532
Energy: 0.7142399323154481
Energy: 0.7425787016542708
Energy: 0.7214795547270538
Energy: 0.7164526079250708
Energy: 0.7176331859994366
Energy: 0.7172112501919923
Energy: 0.7181611984866083
Energy: 0.7192290882791841
Energy: 0.7148218908418797
Energy: 0.7181851032539633
Energy: 0.7172980912842775
Energy: 0.7175155215198327
Energy: 0.7185075967582258
Energy: 0.7155145044528771
Energy: 0.7131262337951205
Energy: 0.7203246163445715
Energy: 0.7259334325328937
Energy: 0.715836007229565
Energy: 0.7165777392420715
Energy: 0.73016432158919
Energy: 0.7128233496147277
Energy: 0.7176829470819649
Energy: 0.718910959159861
Energy: 0.7132116159550034
Energy: 0.7177898410492543
Energy: 0.7136063984437908
Energy: 0.7173204859035888
Energy: 0.713298943117106
Energy: 0.7131474005406282
Energy: 0.721196411245924
Energy: 0.708154302621024
Energy: 0.719720295612576
Energy: 0.7342897083996044
Energy: 0.7376698955688695
Energy: 0.7407396037927116
Energy: 0.7338789839856786
Energy: 0.7161142432984693
Energy: 0.7405002106620896

minimum gb energy = 0.6984601575203302 eV
minimum distance =  2.53495108137248 Angstroms
sigma value = 81


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

Energy: 1.3028373072413002
Energy: 0.6937669359051704
Energy: 0.6957333778941288
Energy: 0.695837727103094
Energy: 0.7291432861564693
Energy: 0.6966744410037371
Energy: 0.6794305013602293
Energy: 0.7069033667102623
Energy: 0.7165110335584702
Energy: 0.7177700067151624
Energy: 0.6953978992384094
Energy: 0.7175407743457874
Energy: 0.7180826366849492
Energy: 0.69453005662439
Energy: 0.6968121434348296
Energy: 0.7523004727582819
Energy: 0.6977464058397358
Energy: 0.7338375271935429
Energy: 0.7111976664375815
Energy: 0.6988660105800396
Energy: 0.7113927602690461
Energy: 0.7117489727197481
Energy: 0.7004755086290657
Energy: 0.7135094535977633
Energy: 0.7139199172519805
Energy: 0.7153181316593114
Energy: 0.7146743933081249
Energy: 0.7154512757222113
Energy: 0.7182787526500314
Energy: 0.714583375734176
Energy: 0.7116997138630946
Energy: 0.7164458752251824
Energy: 0.7148571816546847
Energy: 0.7263575142456975
Energy: 0.7156546075073529
Energy: 0.7150284702686226
Energy: 0.7112159012983192
Energy: 0.7061235342809256
Energy: 0.7130699568431011
Energy: 0.7341405871668442
Energy: 0.7194841946725036
Energy: 0.7178343936685494
Energy: 0.8530017457794158
Energy: 0.7582885895548058
Energy: 0.7573846532367393
Energy: 0.6911940616156438
Energy: 0.7446628226198279
Energy: 0.7154577668209517
Energy: 0.701078100656645
Energy: 0.694065543653993
Energy: 0.6931907098038187
Energy: 0.7338643568693795
Energy: 0.6925565908087563
Energy: 0.7016689689153531
Energy: 0.7388344521752568
Energy: 0.6613000576673599
Energy: 0.6599457163796424
Energy: 0.7383913183035415
Energy: 0.6605516373161555
Energy: 0.6589686445796753
Energy: 0.7075525441245909
Energy: 0.6727907789219856
Energy: 0.6567075834015181
Energy: 0.7008976998668743
Energy: 0.6716358170859005
Energy: 0.7045130672238213
Energy: 0.6931760941795548
Energy: 0.7043457534099243
Energy: 0.7030097614990308
Energy: 0.6938108571264296
Energy: 0.7103669395846943
Energy: 0.6947711754272052
Energy: 0.6927132461627913
Energy: 0.7047641595941841
Energy: 0.7066313186256564
Energy: 0.6987483997476979
Energy: 0.7225712613967747
Energy: 0.6972830019377695
Energy: 0.7308341707132237
Energy: 0.7170977347029789
Energy: 0.7182761613934688
Energy: 0.6928970844990601
Energy: 0.7193926685856842
Energy: 0.7193698166528018
Energy: 0.8694438574389505
Energy: 0.7446854328260197
Energy: 0.7940944546973425
Energy: 0.7277149203255486
Energy: 0.737503209849385
Energy: 0.7284556520032325
Energy: 0.7284064737382442
Energy: 0.7194467333048535
Energy: 0.7199630915495355
Energy: 0.725364885893094
Energy: 0.720351021779388
Energy: 0.7217798053800689
Energy: 0.8023947561842738
Energy: 0.6908606987856689
Energy: 0.6911920613270398
Energy: 0.7472230938280697
Energy: 0.6913369645526144
Energy: 0.7061405439021406
Energy: 0.7023501459186434
Energy: 0.7210434927156427
Energy: 0.7155877683831353
Energy: 0.6938875220134375
Energy: 0.7354306965827365
Energy: 0.6974830783206636
Energy: 0.7954566664311817
Energy: 0.7034483591583318
Energy: 0.6585307578960585
Energy: 0.722242324616731
Energy: 0.7149052429489281
Energy: 0.6599873107143016
Energy: 0.7951667916295649
Energy: 0.7052806913930038
Energy: 0.6586042257250148
Energy: 0.6564934191726217
Energy: 0.7177207686537742
Energy: 0.6593448456104267
Energy: 0.7026218867900127
Energy: 0.7037221457086534
Energy: 0.7126227589360121
Energy: 0.694149414165568
Energy: 0.7041428531948333
Energy: 0.7135358850887942
Energy: 0.7208057865200126
Energy: 0.6984470178378781
Energy: 0.7181571314473254
Energy: 0.7311843449242353
Energy: 0.6960944156848992
Energy: 0.7194078647906249
Energy: 0.7213822653260481
Energy: 0.7194549458042304
Energy: 0.7186353156964572
Energy: 0.7200799247443905
Energy: 0.7215168558982163
Energy: 0.7204400459653003
Energy: 0.722057926999356
Energy: 0.7240201590114598
Energy: 0.726980443038412
Energy: 0.7220010647049424
Energy: 0.7332751635709805
Energy: 0.7272934435395675
Energy: 0.7267256148147611
Energy: 0.7214012668733686
Energy: 0.7196821009582954
Energy: 0.7470100917668988
Energy: 0.7198518057889373
Energy: 0.7192066169038769
Energy: 0.7880658999627649
Energy: 0.7543232930249436
Energy: 0.7546517258454748
Energy: 0.6935593926008563
Energy: 0.749023451252871
Energy: 0.7550464835165476
Energy: 0.7867610350535678
Energy: 0.7070175778196711
Energy: 0.7056071979094944
Energy: 0.6850319971999117
Energy: 0.6935085371117088
Energy: 0.7651914966982958
Energy: 0.7046841998929428
Energy: 0.6717048604583749
Energy: 0.7044984640635981
Energy: 0.7338980022827999
Energy: 0.6719404763346098
Energy: 0.7038256506142184
Energy: 0.7345826904485858
Energy: 0.6562243031500455
Energy: 0.6595581167219209
Energy: 0.7324629917702878
Energy: 0.6563414943476992
Energy: 0.6598483632805971
Energy: 0.7056830716173567
Energy: 0.7032655002916423
Energy: 0.7060802787059339
Energy: 0.6999519341491047
Energy: 0.6934424113709867
Energy: 0.7130823104183834
Energy: 0.6928309825429502
Energy: 0.7219207194543903
Energy: 0.7073408143780655
Energy: 0.6964292339951181
Energy: 0.7429606853174233
Energy: 0.6985626758375281
Energy: 0.7170936178782936
Energy: 0.6912478961107195
Energy: 0.7067889978499857
Energy: 0.691700888717526
Energy: 0.6910695930324428
Energy: 0.7146294564546729
Energy: 0.7982465239513865
Energy: 0.7140889603693052
Energy: 0.7143271079195529
Energy: 0.7206259648686251
Energy: 0.7133275169786003
Energy: 0.7142640606460868
Energy: 0.7193632550655723
Energy: 0.7171561069248902
Energy: 0.7172853416166302
Energy: 0.7187377390509954
Energy: 0.7155197814907831
Energy: 0.7172918692419618
Energy: 0.7199623119198976
Energy: 0.7074194154997713
Energy: 0.7194891617934874
Energy: 0.7208718813124092
Energy: 0.6911757311505473
Energy: 0.7163713134489554
Energy: 0.8256579401151479
Energy: 0.6911741293244308
Energy: 0.6909998778853568
Energy: 0.792014899506653
Energy: 0.6914206037795827
Energy: 0.7771424214891373
Energy: 0.7099708229248495
Energy: 0.7060926109346248
Energy: 0.715531090775055
Energy: 0.7174590482364426
Energy: 0.6948544861153414
Energy: 0.7177879045641209
Energy: 0.9171049029695744
Energy: 0.7088417588491226
Energy: 0.6968034981534764
Energy: 0.6780403615917938
Energy: 0.7058320557515214
Energy: 0.6838495625354533

minimum gb energy = 0.6562243031500455 eV
minimum distance =  2.56093691616912 Angstroms
sigma value = 43


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

Energy: 1.0562916338359405
Energy: 0.7196070950648658
Energy: 0.6985990249960287
Energy: 0.8043956442966377
Energy: 0.8023671122635911
Energy: 0.7019958537659101
Energy: 0.6816712553195885
Energy: 0.6953236794568314
Energy: 0.694339344029659
Energy: 0.733375030981431
Energy: 0.6889246680177502
Energy: 0.6973303296402793
Energy: 0.6895790143036419
Energy: 0.6840534952143552
Energy: 0.6814883819126253
Energy: 0.7412072043739315
Energy: 0.6835251767626037
Energy: 0.6917569531869299
Energy: 0.6912721929305361
Energy: 0.6835791731976525
Energy: 0.6961332062982499
Energy: 0.6913807919008671
Energy: 0.6946692673960865
Energy: 0.6959822060927273
Energy: 0.6905889715579843
Energy: 0.6975843533189066
Energy: 0.6956315318264656
Energy: 0.6947562473853183
Energy: 0.6968213879031174
Energy: 0.6967144197571902
Energy: 0.6912368803333138
Energy: 0.6968512890693045
Energy: 0.6965075965073735
Energy: 0.696412284205629
Energy: 0.6978037967832454
Energy: 0.6967144977978866
Energy: 0.6927443195009656
Energy: 0.6963729432281415
Energy: 0.6970569565016146
Energy: 0.6982993766447679
Energy: 0.6918352774736407
Energy: 0.6976042301439851
Energy: 0.7772627239323022
Energy: 0.6887667403121235
Energy: 0.6887376426644645
Energy: 0.6941766628061391
Energy: 0.6887528844756216
Energy: 0.7325555970032236
Energy: 0.6891947248582152
Energy: 0.6886248132108882
Energy: 0.6966568415451369
Energy: 0.6892157930534369
Energy: 0.7323244371589457
Energy: 0.6959290883539982
Energy: 0.8522812821977863
Energy: 0.6934479756616301
Energy: 0.6931761443226719
Energy: 0.7039799226321722
Energy: 0.6962807884367729
Energy: 0.693146467011861
Energy: 0.6958114497415179
Energy: 0.7014369370287798
Energy: 0.7084655427853985
Energy: 0.6891920947800375
Energy: 0.7064323402008078
Energy: 0.7112771739834888
Energy: 0.6974657160246921
Energy: 0.6921909021021118
Energy: 0.6922542058641485
Energy: 0.6955594054581732
Energy: 0.6921859765217091
Energy: 0.6928912328998121
Energy: 0.8078683160529777
Energy: 0.6911388731295112
Energy: 0.7009720460723724
Energy: 0.685301966787807
Energy: 0.6907227478482243
Energy: 0.7012026321651338
Energy: 0.6971665321677787
Energy: 0.6972393211832238
Energy: 0.6969693853582731
Energy: 0.6883048896588868
Energy: 0.695204264654919
Energy: 0.6974707204370436
Energy: 0.7022757266928482
Energy: 0.6986221010930355
Energy: 0.7135106909695927
Energy: 0.7033164338048223
Energy: 0.6915570703975567
Energy: 0.7169721285481501
Energy: 0.6955393838289022
Energy: 0.6978572415200834
Energy: 0.7043027313654228
Energy: 0.6953856790991029
Energy: 0.699055068864675
Energy: 0.704075498481357
Energy: 0.6965259020602566
Energy: 0.7116457670088697
Energy: 0.7147754214627675
Energy: 0.6964717292211692
Energy: 0.6978613221445579
Energy: 0.6959525591481854
Energy: 0.69527506676205
Energy: 0.7011473480342116
Energy: 0.7089949959678785
Energy: 0.716479482789543
Energy: 0.7083167623980284
Energy: 0.7073822263788458
Energy: 0.6895831838101587
Energy: 0.6951736979081811
Energy: 0.703513825321309
Energy: 0.7004476944022062
Energy: 0.6953118174644725
Energy: 0.6964722148969549
Energy: 0.7968417146706256
Energy: 0.6954662784870547
Energy: 0.7038125400508135
Energy: 0.6990006057394346
Energy: 0.6957767350381289
Energy: 0.6927166294247852
Energy: 0.6946031123221631
Energy: 0.7024184058339327
Energy: 0.7012793582048837
Energy: 0.7128365603014468
Energy: 0.6993677422272375
Energy: 0.7076285161536859
Energy: 0.7814737482226429
Energy: 0.7012129519052941
Energy: 0.7518961497924168
Energy: 0.7138156241024516
Energy: 0.679726028831502
Energy: 0.760316105067792
Energy: 0.7076408184941079
Energy: 0.7017756059025865
Energy: 0.7018103625511666
Energy: 0.7021688506630233
Energy: 0.7177805503696135
Energy: 0.7086867138400998
Energy: 0.7523991770650941
Energy: 0.6955581757945838
Energy: 0.6952611372502994
Energy: 0.7074974549422484
Energy: 0.6965930136725884
Energy: 0.6956217070159725
Energy: 0.7084060332110663
Energy: 0.694970307580841
Energy: 0.6954127637523451
Energy: 0.7023318473480441
Energy: 0.6944585034419954
Energy: 0.7043013920176917
Energy: 0.7265379698660315
Energy: 0.704509615569402
Energy: 0.7038893539391918
Energy: 0.6908389332201958
Energy: 0.696173203009018
Energy: 0.6987625884115226
Energy: 0.7265813937318961
Energy: 0.7040313289027094
Energy: 0.7049459217515208
Energy: 0.6881735409189905
Energy: 0.7046613686009988
Energy: 0.7005553995738676
Energy: 0.7391507522016977
Energy: 0.6958361798618019
Energy: 0.6988042415831683
Energy: 0.691897918596776
Energy: 0.698966255494147
Energy: 0.697130692720092
Energy: 0.6904200733026759
Energy: 0.6908346770981323
Energy: 0.6903975382715343
Energy: 0.6903042369979897
Energy: 0.6936268422191222
Energy: 0.6902084193885903
Energy: 0.6914942793760417
Energy: 0.6947599212189556
Energy: 0.6975331854808561
Energy: 0.732566816510814
Energy: 0.6893443856942071
Energy: 0.6974396305791676
Energy: 0.9412614164607742
Energy: 0.7254803374778381
Energy: 0.7145576025576482
Energy: 0.7035821484897037
Energy: 0.7250005566308154
Energy: 0.6801323021591308

minimum gb energy = 0.679726028831502 eV
minimum distance =  2.55630081771622 Angstroms
sigma value = 57


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

Energy: 0.9593868538479934
Energy: 0.705548584996293
Energy: 0.7060324998296195
Energy: 0.6720850980680595
Energy: 0.7895907503893914
Energy: 0.7065416488218172
Energy: 0.6662678859295424
Energy: 0.6918778324543702
Energy: 0.6968680871794097
Energy: 0.7181238775138342
Energy: 0.7163608625038912
Energy: 0.6891172017962492
Energy: 0.6846313375600289
Energy: 0.656398510310252
Energy: 0.6563242782868177
Energy: 0.6973732204797973
Energy: 0.6564057218076638
Energy: 0.6573015853502872
Energy: 0.7001444165466842
Energy: 0.6563446834526359
Energy: 0.6560246731717174
Energy: 0.7011995811439332
Energy: 0.6562865509050025
Energy: 0.692037482904673
Energy: 0.7057353957107787
Energy: 0.681313890632536
Energy: 0.6873304202024108
Energy: 0.6903160270342764
Energy: 0.6913794371909472
Energy: 0.6865351763050354
Energy: 0.6577238878850813
Energy: 0.6866088169241438
Energy: 0.6803052223604719
Energy: 0.6849135045583328
Energy: 0.6880517646331658
Energy: 0.6814202502411787
Energy: 0.6842661156571829
Energy: 0.6934818089088232
Energy: 0.6906012923025937
Energy: 0.6936121804368188
Energy: 0.7037559575070118
Energy: 0.6903405383277219
Energy: 0.7108141216300683
Energy: 0.6876971112592373
Energy: 0.680482067680728
Energy: 0.6871823659156611
Energy: 0.6885492193802726
Energy: 0.6832688704734897
Energy: 0.683363918254454
Energy: 0.6922111326420393
Energy: 0.6843589676355919
Energy: 0.6823816378840379
Energy: 0.7084810963289856
Energy: 0.689825803276252
Energy: 0.6916477400725884
Energy: 0.6868664304955613
Energy: 0.6917332968339384
Energy: 0.6946247775940241
Energy: 0.683347976394966
Energy: 0.6969968675647769
Energy: 0.7249954135067876
Energy: 0.6805792657751297
Energy: 0.6866733408005187
Energy: 0.6839022005032677
Energy: 0.6917743411932092
Energy: 0.6839431732514833
Energy: 0.6671611546168108
Energy: 0.6928158455389265
Energy: 0.685282109082216
Energy: 0.6672038403505922
Energy: 0.7077656904251989
Energy: 0.6568967707248197
Energy: 0.6651697230847773
Energy: 0.6989369250910772
Energy: 0.7253921651449569
Energy: 0.6561594218094522
Energy: 0.6985234441382498
Energy: 0.7251200609989739
Energy: 0.6827042362459974
Energy: 0.689657288645562
Energy: 0.6871280771220901
Energy: 0.7174279090871897
Energy: 0.6989582199363306
Energy: 0.686992343126887
Energy: 0.6831165033184046
Energy: 0.6661990561815074
Energy: 0.6737335507314787
Energy: 0.6887483567496386
Energy: 0.6647392330568413
Energy: 0.6739377735921386
Energy: 0.7028852572465106
Energy: 0.6844621281072998
Energy: 0.6905147809547222
Energy: 0.7038759899372846
Energy: 0.68352400122921
Energy: 0.6899732494844086
Energy: 0.7088698031753632
Energy: 0.6828850696928791
Energy: 0.6807006348793264
Energy: 0.6846246430182273
Energy: 0.6839967513216417
Energy: 0.6802271001034768
Energy: 0.707991678432937
Energy: 0.6880718159808032
Energy: 0.6846210049593251
Energy: 0.6872945438842761
Energy: 0.6888280305576234
Energy: 0.6861031344815064
Energy: 0.7210536475791776
Energy: 0.7039565775058101
Energy: 0.6848061516587272
Energy: 0.6829778203024339
Energy: 0.7021471991504246
Energy: 0.6841903441358047
Energy: 0.721597037942053
Energy: 0.6988795500320557
Energy: 0.6861538752004979
Energy: 0.6834560955720014
Energy: 0.6997579458554274
Energy: 0.6853509495899349
Energy: 0.6978158024537969
Energy: 0.691700241632464
Energy: 0.6885327093961819
Energy: 0.6843094820911627
Energy: 0.7122106683431019
Energy: 0.688765992749644
Energy: 0.7503551775294526
Energy: 0.690241222920689
Energy: 0.6821909196801056
Energy: 0.6868205382006978
Energy: 0.6895724963325462
Energy: 0.6867604195868194
Energy: 0.6827737648880741
Energy: 0.6920773889349977
Energy: 0.6971673447018331
Energy: 0.6839736882905462
Energy: 0.7174874167687311
Energy: 0.6956224087645569
Energy: 0.6649326640750692
Energy: 0.6988081545356387
Energy: 0.7249914629265907
Energy: 0.6561245946097104
Energy: 0.6985425603664303
Energy: 0.7252967184145508

minimum gb energy = 0.6560246731717174 eV
minimum distance =  2.53138905582154 Angstroms
sigma value = 17


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

Energy: 0.78548047891207
Energy: 0.8339034854203856
Energy: 0.8319469879281483
Energy: 0.6702250531535562
Energy: 0.7248744099544221
Energy: 0.6690099723392852
Energy: 0.673018998795519
Energy: 0.6891742315917567
Energy: 0.689252685830782
Energy: 0.7563593786347053
Energy: 0.7471116611835353
Energy: 0.6897017351006656
Energy: 0.7188685497378028
Energy: 0.6537448591213315
Energy: 0.6640089039058642
Energy: 0.7313748848235477
Energy: 0.6536139455864216
Energy: 0.6646662220664266
Energy: 0.7306126489081557
Energy: 0.6641723371224746
Energy: 0.6679215130022318
Energy: 0.7308629529975084
Energy: 0.656947780444481
Energy: 0.6907132355985506
Energy: 0.6576850139526831
Energy: 0.6471514193137631
Energy: 0.6479281114815125
Energy: 0.6579799563945158
Energy: 0.651858676523166
Energy: 0.639958293482938
Energy: 0.6661789855873128
Energy: 0.6509274514117095
Energy: 0.6517463111825157
Energy: 0.6266811875552668
Energy: 0.654460868958864
Energy: 0.6253131690382826
Energy: 0.6494172225853636
Energy: 0.6484839715132844
Energy: 0.6384710342763324
Energy: 0.6553750120894496
Energy: 0.6525583524717039
Energy: 0.6356841018493997
Energy: 0.6472922582743538
Energy: 0.6238653332795754
Energy: 0.6240213196556229
Energy: 0.6240664758148586
Energy: 0.6232865261591791
Energy: 0.6240943656541269
Energy: 0.6507482920451276
Energy: 0.6219040788308892
Energy: 0.6214186162539483
Energy: 0.6523557566547498
Energy: 0.6235663616336594
Energy: 0.6358002558076586
Energy: 0.6563671255701339
Energy: 0.6450819561774673
Energy: 0.6454499486018429
Energy: 0.6555909946337777
Energy: 0.6433834216422682
Energy: 0.6511675852679241
Energy: 0.624600861541629
Energy: 0.6397578221313235
Energy: 0.6397521224670263
Energy: 0.6517955506727316
Energy: 0.6901828766086359
Energy: 0.6542242604900985
Energy: 0.6587270444816569
Energy: 0.7332097654925674
Energy: 0.692574021371405
Energy: 0.6233155853854552
Energy: 0.7346482898280625
Energy: 0.6914679353513868
Energy: 0.6483229617764912
Energy: 0.7307245177948876
Energy: 0.7317756163176049
Energy: 0.6407116036325143
Energy: 0.7307850559885414
Energy: 0.7282764966833549
Energy: 0.7501472933224599
Energy: 0.7583162362695491
Energy: 0.6839075705740318
Energy: 0.7572847341668182
Energy: 0.7573692740526127
Energy: 0.6834422379804237
Energy: 0.7058467395832525
Energy: 0.7342555926091267
Energy: 0.7136115568597488
Energy: 0.7310629630730042
Energy: 0.7358618328808247
Energy: 0.7235896496543051
Energy: 0.7113141809402935
Energy: 0.75331971993234
Energy: 0.6837373179008669
Energy: 0.7489946224413887
Energy: 0.7569465145800454
Energy: 0.6833071800278905
Energy: 0.626338643723487
Energy: 0.73088782623406
Energy: 0.7763003541083541
Energy: 0.6684111930730378
Energy: 0.7310072883377373
Energy: 0.660333890451814

minimum gb energy = 0.6214186162539483 eV
minimum distance =  2.59043504464409 Angstroms
sigma value = 17


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

Energy: 1.200096111273562
Energy: 0.7794540545032609
Energy: 0.6735136855391062
Energy: 0.6550463113374283
Energy: 0.7073454386864696
Energy: 0.6713948353271806
Energy: 0.6670563023912304
Energy: 0.6149203241046458
Energy: 0.6143001438848719
Energy: 0.7170915429696972
Energy: 0.7006510297960166
Energy: 0.6712500670127791
Energy: 0.876595167000925
Energy: 0.5895054167954146
Energy: 0.6326521059928302
Energy: 0.7398232224496889
Energy: 0.5895757049146748
Energy: 0.6457687343240892
Energy: 0.7398594002963973
Energy: 0.6500601419481877
Energy: 0.6520043682249774
Energy: 0.7578607757031764
Energy: 0.5946112453805857
Energy: 0.6664682662149455
Energy: 0.6423775409385727
Energy: 0.61415461091762
Energy: 0.6149980980963043
Energy: 0.6428590038506099
Energy: 0.6321315843226293
Energy: 0.6141923963691265
Energy: 0.6535634884888728
Energy: 0.6237211137574538
Energy: 0.5866591548300001
Energy: 0.5974332318434362
Energy: 0.6334598526597552
Energy: 0.5878091418943867
Energy: 0.5896490254044241
Energy: 0.6327204472848383
Energy: 0.6347918373115065
Energy: 0.5813048259751974
Energy: 0.6366516969592565
Energy: 0.5790354573000431
Energy: 0.6193807467797713
Energy: 0.5739146995894673
Energy: 0.5824979430775316
Energy: 0.5802517503417666
Energy: 0.5732351778875567
Energy: 0.5816280551563485
Energy: 0.5904779207475165
Energy: 0.5893089177749521
Energy: 0.5910800717230469
Energy: 0.5916834188303018
Energy: 0.5844622517985834
Energy: 0.5891644560848448
Energy: 0.589431844880019
Energy: 0.5714706500559452
Energy: 0.5711801716929382
Energy: 0.5895057098470334
Energy: 0.5711422343617251
Energy: 0.5709473200025621
Energy: 0.6067853646680481
Energy: 0.5707500961840591
Energy: 0.5703346858618681
Energy: 0.5712424900995176
Energy: 0.5894693953048906
Energy: 0.5701464937911678
Energy: 0.5921714059887399
Energy: 0.5892207941674908
Energy: 0.5893107182342229
Energy: 0.6005464823254774
Energy: 0.5945314579430054
Energy: 0.5916858415253887
Energy: 0.607108976326853
Energy: 0.5824766951536734
Energy: 0.5837659221783404
Energy: 0.5801684318069771
Energy: 0.581882960888118
Energy: 0.5785714883242539
Energy: 0.632972565692264
Energy: 0.5807778480129618
Energy: 0.5797118145667175
Energy: 0.6341702436656904
Energy: 0.5804173404345656
Energy: 0.6341593240414194
Energy: 0.6338369382161512
Energy: 0.5844137563524252
Energy: 0.5858677361239738
Energy: 0.6332825367511852
Energy: 0.5825552336282552
Energy: 0.6127963459836626
Energy: 0.7360188799285238
Energy: 0.6238474561767673
Energy: 0.6217657490200752
Energy: 0.6319341032067514
Energy: 0.6436064408992822
Energy: 0.619149014922698
Energy: 0.5905404238948233
Energy: 0.7385947313424983
Energy: 0.7194142600933091
Energy: 0.5892826853069955
Energy: 0.7447155911694101
Energy: 0.6144136474332877
Energy: 0.5905461770403283
Energy: 0.732611574983273
Energy: 0.7232656733239532
Energy: 0.6397010162029583
Energy: 0.7393340177276455
Energy: 0.6324594324343205
Energy: 0.7323543486478187
Energy: 0.7070569699925724
Energy: 0.6759291534273562
Energy: 0.6335931552233397
Energy: 0.6258993319674673
Energy: 0.6217899370927208
Energy: 0.8802939075271836
Energy: 0.6339173213726399
Energy: 0.6331595694797649
Energy: 0.7192948843908404
Energy: 0.6313988200834828
Energy: 0.6960835375013139
Energy: 0.7967566722089475
Energy: 0.7039866909607665
Energy: 0.671031888334885
Energy: 0.7156952257080742
Energy: 0.7193944945736299
Energy: 0.6144734285176402
Energy: 0.5995884224505174
Energy: 0.6988065026387378
Energy: 0.7526427160118186
Energy: 0.6667573703821986
Energy: 0.6975353920083791
Energy: 0.6608758509212009
Energy: 0.6020127194226202
Energy: 0.7244141797712005
Energy: 0.6160807599832692
Energy: 0.6002046295953625
Energy: 0.7411071209891876
Energy: 0.6805600992950986
Energy: 0.8701380907344975
Energy: 0.6423325881640467
Energy: 0.6720175702098696
Energy: 0.7394458348953818
Energy: 0.6002212492847446
Energy: 0.7107218712682437
Energy: 0.7383448220494654
Energy: 0.5924773368859823
Energy: 0.635293235718119
Energy: 0.7384172848644754
Energy: 0.5931077056903722
Energy: 0.6361146544917609
Energy: 0.6434587668823133
Energy: 0.6325528683406819
Energy: 0.614928681623102
Energy: 0.6449329102111878
Energy: 0.6327679379571115
Energy: 0.6339500532424522
Energy: 0.5788065570705454
Energy: 0.6151032545899763
Energy: 0.6261908321668196
Energy: 0.5892809462342037
Energy: 0.6252132974952248
Energy: 0.5972940263368361
Energy: 0.5852065701983032
Energy: 0.6396964835755895
Energy: 0.6329243246285466
Energy: 0.5788704531484612
Energy: 0.6354876450798393
Energy: 0.6327188606772524
Energy: 0.6113200733628107
Energy: 0.579276354676907
Energy: 0.5798250240998084
Energy: 0.5781938283205634
Energy: 0.6343365174222301
Energy: 0.5795869770820914
Energy: 0.5890268224197763
Energy: 0.5699954098944613
Energy: 0.5793440297221225
Energy: 0.5890907266084405
Energy: 0.5689818746400639
Energy: 0.579534737553986
Energy: 0.5948793509088014
Energy: 0.5698381584912138
Energy: 0.56950946724955
Energy: 0.5957038578483014
Energy: 0.5693257342985852
Energy: 0.5688551313383718
Energy: 0.5872244594900978
Energy: 0.570401301013712
Energy: 0.5699672125453173
Energy: 0.570750595872828
Energy: 0.5695919281899412
Energy: 0.5698719513701777
Energy: 0.5987420369903589
Energy: 0.5955058382524352
Energy: 0.5893828285696002
Energy: 0.5994531605940815
Energy: 0.5908653056578146
Energy: 0.5891949430254463
Energy: 0.5859211620085355
Energy: 0.5853893267462491
Energy: 0.5788933902836707
Energy: 0.5797902130085362
Energy: 0.5835601581977066
Energy: 0.5789672006526801
Energy: 0.640539519732068
Energy: 0.579536832081696
Energy: 0.5789221296387732
Energy: 0.6330850557842883
Energy: 0.5806581400165992
Energy: 0.5784483665584502
Energy: 0.6410609755596715
Energy: 0.5794216266386442
Energy: 0.6127581422919056
Energy: 0.6328744402787317
Energy: 0.5791171538893082
Energy: 0.6340279121592791
Energy: 0.8205594231119956
Energy: 0.608210398126842
Energy: 0.6082795639394204
Energy: 0.6346040528681404
Energy: 0.6461064904007741
Energy: 0.6216426225759857
Energy: 0.595780080415019
Energy: 0.6325501809326104
Energy: 0.633375195666399
Energy: 0.624527838131239
Energy: 0.7395627094519752
Energy: 0.6331187793758989
Energy: 0.5894059245265304
Energy: 0.6899826000740109
Energy: 0.6337872080306851
Energy: 0.6136727747903877
Energy: 0.6969888250882815
Energy: 0.6317632601376348
Energy: 0.633907600770989
Energy: 0.7171928165706986
Energy: 0.7005473130905748
Energy: 0.6438236966807082
Energy: 0.7167392862031938
Energy: 0.6716839538804317
Energy: 0.8255464264211951
Energy: 0.6253545831504553
Energy: 0.699185799441298
Energy: 0.7432706248815996
Energy: 0.6152364163003975
Energy: 0.7126438567410359
Energy: 0.8691639263936675
Energy: 0.6715558841666933
Energy: 0.6133651029992967
Energy: 0.7389640327603487
Energy: 0.6289689687140745
Energy: 0.6971046439313257
Energy: 0.6031950225840497
Energy: 0.7246371781938983
Energy: 0.6992372457265993
Energy: 0.6009099366139172
Energy: 0.7346329310897692
Energy: 0.6683161114447802

minimum gb energy = 0.5688551313383718 eV
minimum distance =  2.57873203192261 Angstroms
sigma value = 57


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

Energy: 0.6367244605752717
Energy: 0.6766906649190315
Energy: 0.6446269716360081
Energy: 0.5641123999025638
Energy: 0.8881509911011867
Energy: 0.6432029981765103
Energy: 0.6644616383556593
Energy: 0.5850188182274496
Energy: 0.5872239029360685
Energy: 0.6835467062775918
Energy: 0.5811668319451644
Energy: 0.6467109081465644
Energy: 0.8237639355479442
Energy: 0.558005854880457
Energy: 0.5582119231904135
Energy: 0.7200626679772789
Energy: 0.5579371448901661
Energy: 0.602261461230886
Energy: 0.706898121072592
Energy: 0.5577464882700486
Energy: 0.6322869822111529
Energy: 0.6120691961147628
Energy: 0.5570575024366246
Energy: 0.635100199074772
Energy: 0.6093623249424479
Energy: 0.5848489630388589
Energy: 0.587396647551755
Energy: 0.6099567295397124
Energy: 0.6107475284746623
Energy: 0.5896749449592167
Energy: 0.5549988106855468
Energy: 0.5868799484027395
Energy: 0.5575780306909561
Energy: 0.5390666024540163
Energy: 0.6170646860767871
Energy: 0.5585272422359818
Energy: 0.5659742310123784
Energy: 0.6242109174429794
Energy: 0.6183021883336373
Energy: 0.5463053167547143
Energy: 0.6207885423890054
Energy: 0.546557627341257
Energy: 0.6660991976260939
Energy: 0.5320503387676372
Energy: 0.5378882842212968
Energy: 0.5511527601034201
Energy: 0.5307511892005075
Energy: 0.5522582100079029
Energy: 0.5688123787340841
Energy: 0.5628802657886185
Energy: 0.561023708566475
Energy: 0.5701143630620463
Energy: 0.5726903471423145
Energy: 0.5653512490730077
Energy: 0.5657471646737899
Energy: 0.5280508478176824
Energy: 0.5275039478262519
Energy: 0.5658202779058129
Energy: 0.5268541041355548
Energy: 0.5272297275703335
Energy: 0.5481399177367328
Energy: 0.5456105676613663
Energy: 0.5368636781412623
Energy: 0.5273676693306607
Energy: 0.5421343299380688
Energy: 0.5322096926505655
Energy: 0.5695454832993988
Energy: 0.5509309400569384
Energy: 0.5419403388820221
Energy: 0.5472443287562989
Energy: 0.5468291612018809
Energy: 0.524703967296631
Energy: 0.5428520025207726
Energy: 0.5695159334752448
Energy: 0.5653513279091712
Energy: 0.5242379691362877
Energy: 0.5738433402995854
Energy: 0.5266569387359638
Energy: 0.5434884266174188
Energy: 0.5256218628603345
Energy: 0.537929816559181
Energy: 0.5450463640651544
Energy: 0.5504522727779693
Energy: 0.542137444154906
Energy: 0.5423594369926393
Energy: 0.5297477744362539
Energy: 0.5267135656665417
Energy: 0.5429968700583524
Energy: 0.5269990286178445
Energy: 0.526014223947136
Energy: 0.5781918806599682
Energy: 0.5674234382874707
Energy: 0.52996894369397
Energy: 0.528807979404326
Energy: 0.5752795520488476
Energy: 0.5288646606443879
Energy: 0.5440929552748466
Energy: 0.5763528690492786
Energy: 0.565549760647042
Energy: 0.5328311318510397
Energy: 0.5726672551341316
Energy: 0.5505016577317305
Energy: 0.545325592863203
Energy: 0.5508534251488494
Energy: 0.5513919667979678
Energy: 0.5470500989657447
Energy: 0.5501604746963143
Energy: 0.5505525654467636
Energy: 0.617661053525293
Energy: 0.5494896799048774
Energy: 0.5468568262884176
Energy: 0.6194757396033664
Energy: 0.5451482143383442
Energy: 0.616869496409354
Energy: 0.6188345779201806
Energy: 0.5535576484623072
Energy: 0.5552606163641352
Energy: 0.6124516722065769
Energy: 0.5513461168280813
Energy: 0.5861194947530892
Energy: 0.7731032427896976
Energy: 0.6104797312278248
Energy: 0.5859104131417239
Energy: 0.6108544431970051
Energy: 0.6113672320352516
Energy: 0.5859742265547304
Energy: 0.5431816862886739
Energy: 0.6827087910214463
Energy: 0.6065544510904548
Energy: 0.5455959820072649
Energy: 0.671911022855971
Energy: 0.5798764014736859
Energy: 0.5700196221018576
Energy: 0.6653613834603246
Energy: 0.6498236561560243
Energy: 0.564210238702463
Energy: 0.6831075049338328
Energy: 0.6496533164580851
Energy: 0.7737751101430628
Energy: 0.6200494129332895
Energy: 0.5834035716229253
Energy: 0.6408020425064009
Energy: 0.6082835464030455
Energy: 0.5890451934300264
Energy: 0.8351918016086475
Energy: 0.5817395468869437
Energy: 0.5909996211568522
Energy: 0.6765509776219144
Energy: 0.5814429212910688
Energy: 0.6612468330313978
Energy: 0.8258159471450325
Energy: 0.6444450106247294
Energy: 0.644854403200319
Energy: 0.6813404134122697
Energy: 0.6822402232648522
Energy: 0.6182730928605082
Energy: 0.5480657566215063
Energy: 0.6645111902802306
Energy: 0.6357353470652822
Energy: 0.5607733139570087
Energy: 0.6618046818464599
Energy: 0.6130679578792624

minimum gb energy = 0.5242379691362877 eV
minimum distance =  2.59623964030387 Angstroms
sigma value = 43


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

Energy: 0.4740585481488947
Energy: 0.5563035915900493
Energy: 0.5676508185720726
Energy: 0.4795118337215725
Energy: 0.6405507138488467
Energy: 0.5360647318284554
Energy: 0.6881062767548883
Energy: 0.49316671533752376
Energy: 0.49213302766131967
Energy: 0.5402990229082325
Energy: 0.4935569408852347
Energy: 0.4869951422762486
Energy: 0.7125628754858037
Energy: 0.46590739924067587
Energy: 0.48553698376986937
Energy: 0.5219960643933559
Energy: 0.463888346399756
Energy: 0.48628895072204587
Energy: 0.6251436919877269
Energy: 0.4832245005530371
Energy: 0.48494556510362374
Energy: 0.5381152909102693
Energy: 0.4627207659498101
Energy: 0.5549970481764632
Energy: 0.49247360057772066
Energy: 0.4996851998962127
Energy: 0.4921290814885378
Energy: 0.4764322327105621
Energy: 0.5256053333863044
Energy: 0.4927764794561445
Energy: 0.458260627908835
Energy: 0.4921911101639824
Energy: 0.4759339745945538
Energy: 0.4485345499332978
Energy: 0.5550526097773975
Energy: 0.46130592033554085
Energy: 0.6555397282675206
Energy: 0.554995933736763
Energy: 0.5295138638766218
Energy: 0.46604031794899475
Energy: 0.5587829413945052
Energy: 0.4631386657140927
Energy: 0.6500774152990509
Energy: 0.44610294945378287
Energy: 0.45553346749659634
Energy: 0.46481889872762494
Energy: 0.4462084776858857
Energy: 0.4552153902045641
Energy: 0.5109004273127505
Energy: 0.455008111020423
Energy: 0.46446710738434266
Energy: 0.5123904818258324
Energy: 0.45984843557307475
Energy: 0.5090018522616093
Energy: 0.5262147971406944
Energy: 0.4476459141815436
Energy: 0.4474649302788426
Energy: 0.49782210749082945
Energy: 0.4475235122082229
Energy: 0.4469479286962461
Energy: 0.4540527002254228
Energy: 0.48147492525891084
Energy: 0.44621080803507157
Energy: 0.46928215053217737
Energy: 0.4812270269957754
Energy: 0.440545893242699
Energy: 0.5130771867901424
Energy: 0.4809704721000202
Energy: 0.48141422508957193
Energy: 0.44101279901495294
Energy: 0.4811315528272065
Energy: 0.4407641993482898
Energy: 0.513710028454929
Energy: 0.46974882910007865
Energy: 0.4760265612925753
Energy: 0.47432079452750603
Energy: 0.46859286545925555
Energy: 0.4769287528456558
Energy: 0.4640486742742522
Energy: 0.4378035152481391
Energy: 0.4639975627896796
Energy: 0.46548367542785163
Energy: 0.45975894922677585
Energy: 0.464101775748217
Energy: 0.46466047380253306
Energy: 0.434320098607952
Energy: 0.4333019906502556
Energy: 0.4645668137781873
Energy: 0.43422253924803994
Energy: 0.4383103937427321
Energy: 0.45902326601218163
Energy: 0.45672702054939784
Energy: 0.46559899641615454
Energy: 0.45188980206947177
Energy: 0.45618160712046596
Energy: 0.4328025414321766
Energy: 0.46684094312605073
Energy: 0.45627820050218193
Energy: 0.4606860027976471
Energy: 0.45275145572244985
Energy: 0.4560875123403258
Energy: 0.43502538880741526
Energy: 0.4565266898092866
Energy: 0.46643949053755923
Energy: 0.4347719501475143
Energy: 0.46649685282910636
Energy: 0.46426324217412956
Energy: 0.43481680276417195
Energy: 0.45648248216877885
Energy: 0.45319517555313477
Energy: 0.45657892421935514
Energy: 0.4570633716542227
Energy: 0.5024643793309141
Energy: 0.4563528891107194
Energy: 0.45638405424502326
Energy: 0.46592527213310203
Energy: 0.47233151988461486
Energy: 0.4714119482914816
Energy: 0.46580800120878196
Energy: 0.43846557521931634
Energy: 0.4834426906473943
Energy: 0.46426368038780597
Energy: 0.4725590030061428
Energy: 0.46584304598148935
Energy: 0.4641637270666135
Energy: 0.4392504203794462
Energy: 0.4576751468801643
Energy: 0.4644381966435595
Energy: 0.43691106043644407
Energy: 0.4372260453719593
Energy: 0.4641639951365698
Energy: 0.43623416932604797
Energy: 0.4987085416866732
Energy: 0.43843762891892196
Energy: 0.43795683656372064
Energy: 0.48142455841124426
Energy: 0.43854004572159816
Energy: 0.43753201457441826
Energy: 0.4807559379033449
Energy: 0.43966811535409184
Energy: 0.4807771690165374
Energy: 0.4821856331396051
Energy: 0.45796379946714316
Energy: 0.48096053181527276
Energy: 0.6322850085700591
Energy: 0.45878092860089087
Energy: 0.4671103406895834
Energy: 0.4445553943215799
Energy: 0.45899449667836945
Energy: 0.49051646402890386
Energy: 0.5859193281053336
Energy: 0.5092344009174798
Energy: 0.5115707050088364
Energy: 0.4465516923590069
Energy: 0.509286429270343
Energy: 0.4455901798436973
Energy: 0.4563697386034945
Energy: 0.5095884363347979
Energy: 0.46227653253197876
Energy: 0.46090492403952044
Energy: 0.5092373795251655
Energy: 0.4504897798317835
Energy: 0.5072214189266157
Energy: 0.4667364934690288
Energy: 0.46375190077035405
Energy: 0.48155702971380177
Energy: 0.4934922176679944
Energy: 0.4636860661806316
Energy: 0.556696128158851
Energy: 0.46882877477182244
Energy: 0.5334818563274342
Energy: 0.5582496154081963
Energy: 0.45050956620028837
Energy: 0.5556857536536247
Energy: 0.6761217646197683
Energy: 0.45560806280941485
Energy: 0.4703401929673376
Energy: 0.49914759342390336
Energy: 0.4557702152221664
Energy: 0.4710923911727185
Energy: 0.67456790191845
Energy: 0.5337503091310991
Energy: 0.49927952629767036
Energy: 0.49402950831821596
Energy: 0.5365984729179125
Energy: 0.49212931929607867
Energy: 0.46526198880663683
Energy: 0.5455243767809103
Energy: 0.503858090382601
Energy: 0.4600733778627274
Energy: 0.5834821780419986
Energy: 0.47469835097885954
Energy: 0.5105220510413415
Energy: 0.5276050517266521
Energy: 0.5274480577102189
Energy: 0.5064595782235028
Energy: 0.5321125535443361
Energy: 0.5420874976749633
Energy: 0.6757152759978781
Energy: 0.5040090626322197
Energy: 0.5047988941931042
Energy: 0.5382499259135808
Energy: 0.5188013595806548
Energy: 0.5729833729200356
Energy: 0.7144521763705779
Energy: 0.48246884723236383
Energy: 0.5408386783428878
Energy: 0.5364155245187593
Energy: 0.4816216122914808
Energy: 0.5409060138734317
Energy: 0.6669429786616795
Energy: 0.5357676432156422
Energy: 0.5316901313033923
Energy: 0.5016719937641249
Energy: 0.5319930613504522
Energy: 0.4891364818878534

minimum gb energy = 0.4328025414321766 eV
minimum distance =  2.61270001254004 Angstroms
sigma value = 81


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

Energy: 0.0232513296083201
Energy: 0.05688384480555921
Energy: 0.02364363650557891
Energy: 0.025301412351463885
Energy: 0.024231595420955238
Energy: 0.023604540590025803
Energy: 0.05726665961951875
Energy: 0.024026675035044284
Energy: 0.024031617260622418
Energy: 0.057167799132503166
Energy: 0.026535227574634463
Energy: 0.02410952474458574
Energy: 0.055791660857506024
Energy: 0.023766456300907925
Energy: 0.023848645062416945
Energy: 0.055873928524378155
Energy: 0.02368914050257787
Energy: 0.05638731874793794
Energy: 0.027155025764796215
Energy: 0.02379974993904884
Energy: 0.02384896988679395
Energy: 0.02371082020491823
Energy: 0.023813826518946774
Energy: 0.05664818533314949
Energy: 0.056270925960856845
Energy: 0.055782877727670176
Energy: 0.05587283529514849
Energy: 0.057158187131062084
Energy: 0.05570978671209178
Energy: 0.05567358471560701
Energy: 0.024279509843970978
Energy: 0.02401811389026082
Energy: 0.02375271341677069
Energy: 0.02556554131413224
Energy: 0.0241664866871979
Energy: 0.02368838639942324
Energy: 0.05650822303412945
Energy: 0.02391723203391561
Energy: 0.024087934966520747
Energy: 0.05586810111809558
Energy: 0.023757993302390115
Energy: 0.023950853075593994
Energy: 0.05579900328476801
Energy: 0.02365301915948903
Energy: 0.023794301689886686
Energy: 0.05581832139309907
Energy: 0.023546202617258854
Energy: 0.05898982833705419
Energy: 0.024784882699253784
Energy: 0.02402660279384992
Energy: 0.05856365272036986
Energy: 0.025501930525698647
Energy: 0.02363830050339924
Energy: 0.057961046733131
Energy: 0.024172982594932342
Energy: 0.05593819671523682
Energy: 0.05596818748958448
Energy: 0.024264657188860124
Energy: 0.05574602900695994
Energy: 0.05603215843725474

minimum gb energy = 0.0232513296083201 eV
minimum distance =  2.72533795342109 Angstroms
sigma value = 3


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

Energy: 0.5336067355148312
Energy: 0.5566482894344684
Energy: 0.5385362866630017
Energy: 0.44196913964735307
Energy: 0.5287980520578736
Energy: 0.4986686040138344
Energy: 0.5270165692474137
Energy: 0.5402617720094233
Energy: 0.5387519505618
Energy: 0.531575378847456
Energy: 0.5318187042625103
Energy: 0.5395176323064752
Energy: 0.542578243365009
Energy: 0.4927007378892429
Energy: 0.4932930330968595
Energy: 0.5302559025821498
Energy: 0.49603363186582033
Energy: 0.5256533709014276
Energy: 0.5167165405051201
Energy: 0.4933059744877313
Energy: 0.4929124267507386
Energy: 0.5121187615861181
Energy: 0.4677944753341328
Energy: 0.529917083439019
Energy: 0.4683705950320767
Energy: 0.5405543850207275
Energy: 0.5383661609463946
Energy: 0.46860184429963386
Energy: 0.5311239572035624
Energy: 0.5388098871086937
Energy: 0.5175562904163438
Energy: 0.5386065741309056
Energy: 0.5097316121378258
Energy: 0.4324887856527161
Energy: 0.5381429389676049
Energy: 0.4585249834100178
Energy: 0.51543662517334
Energy: 0.47721365314923037
Energy: 0.5276599860875499
Energy: 0.5146649454206575
Energy: 0.48222318011494203
Energy: 0.5154517612648062
Energy: 0.5113986229677463
Energy: 0.4416561388380082
Energy: 0.4703122392092388
Energy: 0.5114137126221998
Energy: 0.41290812303294094
Energy: 0.4708350325455732
Energy: 0.4416809478737984
Energy: 0.4698273525581456
Energy: 0.5268402336098946
Energy: 0.5295860720426185
Energy: 0.43917979336362695
Energy: 0.5273665859826836
Energy: 0.4484683375701036
Energy: 0.47733703218239315
Energy: 0.4789015732781653
Energy: 0.44807575775115493
Energy: 0.48272359553275834
Energy: 0.4805059631746734
Energy: 0.520132729538881
Energy: 0.4822458293766023
Energy: 0.4789109604433274
Energy: 0.42263776688105253
Energy: 0.42268897166808833
Energy: 0.4886960750367115
Energy: 0.4455911943195057
Energy: 0.4820057649242246
Energy: 0.5190173966003362
Energy: 0.4454859498303573
Energy: 0.44287218409648843
Energy: 0.4451742093529803
Energy: 0.4473797452988952
Energy: 0.40948100179585634
Energy: 0.4951819697856771
Energy: 0.4475087912320408
Energy: 0.40716516217397497
Energy: 0.44820047747050495
Energy: 0.41552878966577267
Energy: 0.46935827685264475
Energy: 0.4467713021751576
Energy: 0.4494196200392456
Energy: 0.4244262562289586
Energy: 0.4966278935296862
Energy: 0.5138150837701856
Energy: 0.42311739018564826
Energy: 0.4227237216304644
Energy: 0.5128396080514006
Energy: 0.428686948154033
Energy: 0.42344654961667616
Energy: 0.5126097009799043
Energy: 0.46163956758562824
Energy: 0.48417004185025214
Energy: 0.416942135585601
Energy: 0.5075308388475949
Energy: 0.48453209001048486
Energy: 0.4112921360282148
Energy: 0.42544893268770334
Energy: 0.48226213848526794
Energy: 0.411269300654998
Energy: 0.426617087056281
Energy: 0.41099731458984173
Energy: 0.412332739107859
Energy: 0.41518293763777714
Energy: 0.4794811638432801
Energy: 0.4124879156063761
Energy: 0.4127673433206459
Energy: 0.47928966925226624
Energy: 0.5158700244170062
Energy: 0.45199691512363527
Energy: 0.47355128978626587
Energy: 0.41487508860116573
Energy: 0.41208337004158435
Energy: 0.4782684117781506
Energy: 0.509356876708019
Energy: 0.41100307385404333
Energy: 0.4108480508078203
Energy: 0.5094256749358507
Energy: 0.4178112989107044
Energy: 0.41157441077111095
Energy: 0.5093499899395413
Energy: 0.48173701562704163
Energy: 0.48492638016587225
Energy: 0.4244291005913623
Energy: 0.4828437274153034
Energy: 0.4835538295939972
Energy: 0.42716048248608174
Energy: 0.48826947414326183
Energy: 0.4546375165335741
Energy: 0.4240519990326547
Energy: 0.4824517236388465
Energy: 0.4231537868869872
Energy: 0.4233041731733221
Energy: 0.44955193678781935
Energy: 0.4493723044820397
Energy: 0.42328295945999056
Energy: 0.4499994823517215
Energy: 0.4484788761283362
Energy: 0.5164738441254013
Energy: 0.4472788145045681
Energy: 0.4470693985477911
Energy: 0.4129636724609959
Energy: 0.44674109908308546
Energy: 0.48427684145429756
Energy: 0.4254384149862909
Energy: 0.445456907016602
Energy: 0.44509849595938067
Energy: 0.42549755456222094
Energy: 0.45222884265244284
Energy: 0.44632369325614457
Energy: 0.532026657253982
Energy: 0.43286457397103223
Energy: 0.45913428242008714
Energy: 0.4233861129122609
Energy: 0.409470558206975
Energy: 0.48106428988206684
Energy: 0.4817540701019472
Energy: 0.45963466509908624
Energy: 0.4580546748362685
Energy: 0.47990544144380054
Energy: 0.42814045261654443
Energy: 0.4815320588782635
Energy: 0.45562267983131893
Energy: 0.47013455721582226
Energy: 0.47082983758392516
Energy: 0.45563623212972393
Energy: 0.46998068930664294
Energy: 0.4699659444716338
Energy: 0.5236675802161465
Energy: 0.5203288896494981
Energy: 0.49242704749004856
Energy: 0.4281724897169401
Energy: 0.5129060874610311
Energy: 0.451999863611488
Energy: 0.4795011863528901
Energy: 0.5281352051133321
Energy: 0.5248748443031603
Energy: 0.4797800851631171
Energy: 0.5239281577723339
Energy: 0.5139173520915962
Energy: 0.5209653647750875
Energy: 0.4504697288698487
Energy: 0.48119244122205485
Energy: 0.521053955888475
Energy: 0.41632321347147705
Energy: 0.48087403579957866
Energy: 0.5453794741731183
Energy: 0.48098122578689345
Energy: 0.5399950779127455
Energy: 0.5289822560222217
Energy: 0.44947718473929904
Energy: 0.5708876496605034
Energy: 0.4788067226918725
Energy: 0.5109197741736955
Energy: 0.5185629995015358
Energy: 0.47904624119040534
Energy: 0.5179209969625376
Energy: 0.5069860977364681

minimum gb energy = 0.40716516217397497 eV
minimum distance =  2.53750364230053 Angstroms
sigma value = 67


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

Energy: 0.6501254400205088
Energy: 0.648066567572017
Energy: 0.6465054200168503
Energy: 0.5411904646712965
Energy: 0.7307704035167987
Energy: 0.6450861062303817
Energy: 0.6221549680714562
Energy: 0.6515368073841817
Energy: 0.6498724900892102
Energy: 0.6429126002471102
Energy: 0.643165072602628
Energy: 0.6462664535053025
Energy: 0.6573529457423951
Energy: 0.562052470849542
Energy: 0.6189956023211998
Energy: 0.6400412794273332
Energy: 0.5582460529552479
Energy: 0.6355268707431175
Energy: 0.6102972318895143
Energy: 0.6121958542990452
Energy: 0.627539982885819
Energy: 0.6113948737082793
Energy: 0.6188655699724737
Energy: 0.6283296851391765
Energy: 0.6035314724251273
Energy: 0.5903012540604712
Energy: 0.6513139549053111
Energy: 0.603916544271123
Energy: 0.6708068228138923
Energy: 0.6477230887380203
Energy: 0.6262016796054413
Energy: 0.6412978259557316
Energy: 0.6044840513445378
Energy: 0.5620443531356377
Energy: 0.6413050636322465
Energy: 0.6088931858216889
Energy: 0.6049183891385547
Energy: 0.6258678070292687
Energy: 0.6257700615409074
Energy: 0.6073721351822147
Energy: 0.5654764764220253
Energy: 0.6211951541818015
Energy: 0.6127567005858412
Energy: 0.5392994087601494
Energy: 0.5331426998643175
Energy: 0.6063323517636927
Energy: 0.5356403002020387
Energy: 0.6141899676608502
Energy: 0.6438996537644613
Energy: 0.6129829663642399
Energy: 0.5663629325555359
Energy: 0.6211334374309792
Energy: 0.5630060138914839
Energy: 0.6392620332198821
Energy: 0.5948290581435797
Energy: 0.568786002550246
Energy: 0.5652064002218365
Energy: 0.6508027539009088
Energy: 0.5663484503277091
Energy: 0.5632499011428528
Energy: 0.641589033036085
Energy: 0.5661227685149989
Energy: 0.5689719473462725
Energy: 0.538782056762871
Energy: 0.6307978602435893
Energy: 0.5869884478289394
Energy: 0.5429435395415437
Energy: 0.5700056295375328
Energy: 0.5649043045922932
Energy: 0.5437088202424454
Energy: 0.5665982537709113
Energy: 0.5375923983200769
Energy: 0.545194414992973
Energy: 0.5441941323425326
Energy: 0.5365184016857942
Energy: 0.5374892081597218
Energy: 0.5395146372390905
Energy: 0.537919838374464
Energy: 0.6293611578786976
Energy: 0.5389917328143609
Energy: 0.6028026780122309
Energy: 0.5383628908407933
Energy: 0.586979738628958
Energy: 0.536648021898694
Energy: 0.6290874355495558
Energy: 0.5415502685285873
Energy: 0.5381888110652748
Energy: 0.6294942218271476
Energy: 0.5383079383650381
Energy: 0.5381762801426692
Energy: 0.6297098139909497
Energy: 0.5363332274070622
Energy: 0.6137228732910266
Energy: 0.5658512552491154
Energy: 0.5928276995631244
Energy: 0.6098144274657482
Energy: 0.5686924439501125
Energy: 0.5342182837531747
Energy: 0.5287165509943217
Energy: 0.5693648571578402
Energy: 0.530208878020312
Energy: 0.5637177384717651
Energy: 0.5635730671532947
Energy: 0.5674298095916518
Energy: 0.6402618731198177
Energy: 0.5635731850701116
Energy: 0.5689977251794136
Energy: 0.5641720366163814
Energy: 0.624229211726447
Energy: 0.6429942622134196
Energy: 0.5855615524709861
Energy: 0.5449602556808838
Energy: 0.6433823532123433
Energy: 0.589167951930439
Energy: 0.5610693034771697
Energy: 0.6230837063759511
Energy: 0.6241048414066842
Energy: 0.5661827104668693
Energy: 0.611063747900478
Energy: 0.6402448859656716
Energy: 0.6184938176171711
Energy: 0.5884872965685799
Energy: 0.6373777824242215
Energy: 0.6203373925969904
Energy: 0.5480618385158919
Energy: 0.6490141771914917
Energy: 0.6567680003436085
Energy: 0.5451215866774194
Energy: 0.579107961962393
Energy: 0.639885770812489
Energy: 0.5414391174137259
Energy: 0.646626337043105
Energy: 0.6220238124062175
Energy: 0.6219816292187015
Energy: 0.6230455403419074
Energy: 0.6270793497856058
Energy: 0.6139452734185333
Energy: 0.6191696033879127

minimum gb energy = 0.5287165509943217 eV
minimum distance =  2.52726289265046 Angstroms
sigma value = 33


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

Energy: 0.7552094570730062
Energy: 0.759603654429327
Energy: 0.7612442022072355
Energy: 0.6473560702956811
Energy: 0.6918343779442846
Energy: 0.7285988135199108
Energy: 0.7075926094881566
Energy: 0.6890522608748296
Energy: 0.6377363940519402
Energy: 0.6779638357325388
Energy: 0.6860110580167194
Energy: 0.6851453802333254
Energy: 0.7553855443543759
Energy: 0.6801897286771533
Energy: 0.6793023983787593
Energy: 0.7340007242109977
Energy: 0.6780896217255428
Energy: 0.7031354398171401
Energy: 0.6804837520039404
Energy: 0.6807611337986789
Energy: 0.6974184338649362
Energy: 0.6812557157471606
Energy: 0.7063008178472094
Energy: 0.7121245234430982
Energy: 0.6797604277352728
Energy: 0.6891554052369459
Energy: 0.6875108348544429
Energy: 0.6800426886327944
Energy: 0.7419431642086858
Energy: 0.6705339732350352
Energy: 0.7215067419711257
Energy: 0.6299436015803794
Energy: 0.695665389478695
Energy: 0.6282358590583267
Energy: 0.629461001521273
Energy: 0.6235010029117147
Energy: 0.6792437835104016
Energy: 0.6882570454029062
Energy: 0.6890870273005856
Energy: 0.6795939702093046
Energy: 0.6871651085420692
Energy: 0.6850512948532499
Energy: 0.6813524741303277
Energy: 0.6273023884544517
Energy: 0.6290203467271828
Energy: 0.6811478409665398
Energy: 0.6327094281255744
Energy: 0.6687730138701421
Energy: 0.7163465991714058
Energy: 0.631011646593385
Energy: 0.6311241625876343
Energy: 0.6359748477188845
Energy: 0.6303230325285332
Energy: 0.7030481875228936
Energy: 0.7174652083404099
Energy: 0.630058213069942
Energy: 0.6288893735938744
Energy: 0.7178389459448756
Energy: 0.6300915961916977
Energy: 0.6276950671577961
Energy: 0.6744146096765953
Energy: 0.6289803481844876
Energy: 0.6317955527843179
Energy: 0.6314262224451128
Energy: 0.674470424171791
Energy: 0.6295775579984946
Energy: 0.6283166318249135
Energy: 0.6278578941877258
Energy: 0.6311330925696708
Energy: 0.6284201909303565
Energy: 0.6450568028319746
Energy: 0.6285663503137677
Energy: 0.6291325809575397
Energy: 0.6860758323567814
Energy: 0.6586824706450771
Energy: 0.6294953970245725
Energy: 0.6345569490438754
Energy: 0.6283690060152093
Energy: 0.6121862629394738
Energy: 0.6858500247174978
Energy: 0.6345841726329545
Energy: 0.6148585886808201
Energy: 0.6743243072221144
Energy: 0.6109942423329179
Energy: 0.6117169884139037
Energy: 0.6855440705370327
Energy: 0.6872328685836192
Energy: 0.6132984954927413
Energy: 0.6822607512654544
Energy: 0.659697531508982
Energy: 0.6825786956257053
Energy: 0.6389827021712955
Energy: 0.6390614637663257
Energy: 0.6834187248155555
Energy: 0.638970519892867
Energy: 0.6890727831755862
Energy: 0.7565961673134798
Energy: 0.6390507548940642
Energy: 0.6386743217443592
Energy: 0.7353789590404058
Energy: 0.6436251492665174
Energy: 0.6802263704023493
Energy: 0.7541018133458697
Energy: 0.6855118019901218
Energy: 0.6857950653108383
Energy: 0.68283832862367
Energy: 0.6819485600964201
Energy: 0.7331553862897089
Energy: 0.7148821088097815
Energy: 0.7351071721306186
Energy: 0.7354909715536676
Energy: 0.6402449674377022
Energy: 0.735262163288022
Energy: 0.6334931217776781
Energy: 0.7075909369375654
Energy: 0.687564140551024
Energy: 0.6875268677891849
Energy: 0.7146222542543695
Energy: 0.6843949300380688
Energy: 0.6908428008897552
Energy: 0.7591358969116402
Energy: 0.653605434114071
Energy: 0.7150296416904101
Energy: 0.7339856569598848
Energy: 0.6913830457801321
Energy: 0.6562818079747966
Energy: 0.6803322330617965
Energy: 0.680163394840867
Energy: 0.6793552362285631
Energy: 0.6797294629363883
Energy: 0.6782681263356215
Energy: 0.7081491637999177
Energy: 0.6800813523292893
Energy: 0.6891421252581148
Energy: 0.6880428557632412
Energy: 0.6802859028186513
Energy: 0.6849739652957479
Energy: 0.6846884868218753
Energy: 0.7201337907679598
Energy: 0.6298306110936496
Energy: 0.7217409433307982
Energy: 0.6232454921246512
Energy: 0.6283728809963355
Energy: 0.6238532898586028
Energy: 0.6791179253603324
Energy: 0.6876179862863697
Energy: 0.6887135074322435
Energy: 0.6797404951288715
Energy: 0.6870472088738052
Energy: 0.6841176497113932
Energy: 0.6802456225860046
Energy: 0.6277288188684131
Energy: 0.6291367040777608
Energy: 0.6802240489847031
Energy: 0.6319840336981606
Energy: 0.668576786721356
Energy: 0.7157276782141251
Energy: 0.6277567020015937
Energy: 0.6293952184380366
Energy: 0.6361227937739905
Energy: 0.6444300068091678
Energy: 0.703117454015947
Energy: 0.7168044598098101
Energy: 0.6300568861275316
Energy: 0.6287604401695783
Energy: 0.6365114038526244
Energy: 0.6306821050182961
Energy: 0.62818797589003
Energy: 0.6741466432159606
Energy: 0.6343682930938236
Energy: 0.6316820855207563
Energy: 0.6325475095695622
Energy: 0.6293310628008353
Energy: 0.629095191457079
Energy: 0.6286087084597154
Energy: 0.6281118154702083
Energy: 0.6284441218446949
Energy: 0.6287024714020492
Energy: 0.639442756053887
Energy: 0.6285883473015955
Energy: 0.6323501835915991
Energy: 0.6871736968986256
Energy: 0.6296657588592045
Energy: 0.6293805536808592
Energy: 0.6369638671979293
Energy: 0.6286473382321905
Energy: 0.611335382371045
Energy: 0.6859961707252243
Energy: 0.6345763836608818
Energy: 0.6143017558840934
Energy: 0.7196403872233494
Energy: 0.610703443119623
Energy: 0.6102684031853347
Energy: 0.6861670572084485
Energy: 0.6879931753495782
Energy: 0.6128500569343984
Energy: 0.6824035514449938
Energy: 0.6597966494549163
Energy: 0.6364236401951401
Energy: 0.6523604769564388
Energy: 0.6899058222298496
Energy: 0.6833262446348307
Energy: 0.6395782944290889
Energy: 0.6888011959189759
Energy: 0.8063592703117828
Energy: 0.6380635700754193
Energy: 0.6386342211658679
Energy: 0.7369363301525712
Energy: 0.6128643518852633
Energy: 0.6783310589268743
Energy: 0.7570669796445696
Energy: 0.6867031987811392
Energy: 0.7333180379912366
Energy: 0.6839709175377656
Energy: 0.6846293403246648
Energy: 0.732158720314347
Energy: 0.7199705307048949
Energy: 0.736062430508919
Energy: 0.7434841313446777
Energy: 0.6382626124155587
Energy: 0.7361610056530946
Energy: 0.6334380201238897

minimum gb energy = 0.6102684031853347 eV
minimum distance =  2.53676485850161 Angstroms
sigma value = 41


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

Energy: 1.0472255923306797
Energy: 0.7475933350684153
Energy: 0.7442972495303877
Energy: 0.7465410053807924
Energy: 0.8116255841273867
Energy: 0.7441297692894855
Energy: 0.7998856949412059
Energy: 0.7621571944523191
Energy: 0.7477677520156563
Energy: 0.7816182094489724
Energy: 0.7611141717038672
Energy: 0.7464417554306578
Energy: 0.8800549119262435
Energy: 0.7458707731848051
Energy: 0.7442453378265982
Energy: 0.7697342376023781
Energy: 0.7491290474134419
Energy: 0.74351931853246
Energy: 0.7861526185987058
Energy: 0.7457745770778669
Energy: 0.7442503881882174
Energy: 0.785814871190198
Energy: 0.7468789906323957
Energy: 0.7470067452478744
Energy: 0.7697822996237086
Energy: 0.74823844819836
Energy: 0.7471904961735031
Energy: 0.7703442190417054
Energy: 0.7609305530510747
Energy: 0.7473342804761813
Energy: 0.7883170723424145
Energy: 0.7479921651809338
Energy: 0.7469223365432707
Energy: 0.7477890776596473
Energy: 0.7480152569301859
Energy: 0.7465739488287231
Energy: 0.7685177036704043
Energy: 0.7674207098545899
Energy: 0.7467404760560222
Energy: 0.7678642890833312
Energy: 0.7625730445789599
Energy: 0.7484470755906184
Energy: 0.7737414172260393
Energy: 0.7487563401470284
Energy: 0.7465794706788019
Energy: 0.7748445027324767
Energy: 0.748508305232688
Energy: 0.7478208913927408
Energy: 0.8231881459807923
Energy: 0.7487353991309336
Energy: 0.7466916507716493
Energy: 0.7314979831629443
Energy: 0.7617543601915898
Energy: 0.7470668200929667
Energy: 0.7908391635508015
Energy: 0.753085290568877
Energy: 0.7474340493547635
Energy: 0.7540164605120805
Energy: 0.7694419765487386
Energy: 0.7458654829095256
Energy: 0.7822012155711944
Energy: 0.7618790471064053
Energy: 0.7498619229880473
Energy: 0.7489338582720999
Energy: 0.7307355279063471
Energy: 0.7495482498597872
Energy: 0.9015229887670702
Energy: 0.7302121837953867
Energy: 0.7308432214171188
Energy: 0.901943484539748
Energy: 0.7303759513102162
Energy: 0.7312651897997637
Energy: 0.8919567911813435
Energy: 0.749047915094706
Energy: 0.7605570791488592
Energy: 0.7832916390015807
Energy: 0.7482192905376377
Energy: 0.7614574280617668
Energy: 0.8450958053308261
Energy: 0.7712737121732534
Energy: 0.7307025078453732
Energy: 0.733328014150205
Energy: 0.7702065499267358
Energy: 0.7309121215659836

minimum gb energy = 0.7302121837953867 eV
minimum distance =  2.53788194851951 Angstroms
sigma value = 11


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

Energy: 0.9028149663595295
Energy: 0.9646445241721103
Energy: 0.892979616143092
Energy: 0.8963139172161245
Energy: 0.9832599990155559
Energy: 0.9388853516678216
Energy: 0.9748983385101425
Energy: 0.8785118193809645
Energy: 0.8735812188807383
Energy: 0.8690844456382093
Energy: 0.8774145715309362
Energy: 0.8730220774072563
Energy: 0.9692504519867813
Energy: 0.8661765913535567
Energy: 0.8656115838133468
Energy: 0.8697518747635333
Energy: 0.8741885443469046
Energy: 0.8678929669133234
Energy: 0.8996085368491497
Energy: 0.8662089612780857
Energy: 0.8693478913604978
Energy: 0.8759140378100823
Energy: 0.866609599149889
Energy: 0.8685721638109916
Energy: 0.897031062459861
Energy: 0.879609336217648
Energy: 0.8746132461262105
Energy: 0.8896816076341689
Energy: 0.8781626885776197
Energy: 0.8737188824688611
Energy: 0.899106249644219
Energy: 0.8738884728290677
Energy: 0.8683645852296672
Energy: 0.8704459607584452
Energy: 0.8987165144712638
Energy: 0.8688193311751778
Energy: 0.8906496285576424
Energy: 0.8684893243376086
Energy: 0.8690039865612708
Energy: 0.8909453396920095
Energy: 0.8603129800655718
Energy: 0.8742170200599044
Energy: 0.8906564263093744
Energy: 0.8733217753901442
Energy: 0.8757252956604389
Energy: 0.8770516529243446
Energy: 0.8692979512815664
Energy: 0.875281922705757
Energy: 0.8676091612209882
Energy: 0.869009167574916
Energy: 0.8680955329622149
Energy: 0.8609118737967698
Energy: 0.8697947370412651
Energy: 0.8715798857009561
Energy: 0.8685657275907709
Energy: 0.8684379386232445
Energy: 0.8680025989569926
Energy: 0.8679227619657319
Energy: 0.8695916012028001
Energy: 0.8715219184588742
Energy: 0.890271636355905
Energy: 0.8788979190953132
Energy: 0.8732399015675685
Energy: 0.8767156429650289
Energy: 0.8990781351018552
Energy: 0.8748312994051168
Energy: 0.8753967539412042
Energy: 0.877432560280758
Energy: 0.8694856984038581
Energy: 0.8758143907847867
Energy: 0.8695969533243975
Energy: 0.869489211085721
Energy: 0.8722056739782794
Energy: 0.8678503162884038
Energy: 0.8678359454207629
Energy: 0.8743780122132049
Energy: 0.8686903669126532
Energy: 0.8684731389373588
Energy: 0.8880060662710123
Energy: 0.8696170964478704
Energy: 0.8695654122991825
Energy: 0.8693472672522895
Energy: 0.8696574063197835
Energy: 0.8681257922215194
Energy: 0.8728583576150053
Energy: 0.8694602136904319
Energy: 0.8677353986045919
Energy: 0.8740735440292822
Energy: 0.8690183940221313
Energy: 0.8677688011751705
Energy: 0.8669900422252385
Energy: 0.8703608417261707
Energy: 0.8683180097192087
Energy: 0.8682830454030017
Energy: 0.8680691636192595
Energy: 0.868669073075442
Energy: 0.8672762393713526
Energy: 0.8632602620683748
Energy: 0.8709804079305402
Energy: 0.8708156228798091
Energy: 0.8623783777994394
Energy: 0.8622258717850916
Energy: 0.9113281487252292
Energy: 0.9117807890477854
Energy: 0.9069669227786423
Energy: 0.8839614316041672
Energy: 0.9205710624593955
Energy: 0.8823255266911765
Energy: 0.8827020835446867
Energy: 0.8683127520217118
Energy: 0.8687891319816663
Energy: 0.8846620938097225
Energy: 0.8715931044653259
Energy: 0.869977050464287
Energy: 0.8953090413394176
Energy: 0.8702616659430846
Energy: 0.869426278359174
Energy: 0.8776592982067744
Energy: 0.87718007817496
Energy: 0.8622462749592458
Energy: 0.9444879464278652
Energy: 0.8726906376230357
Energy: 0.8625055221256464
Energy: 0.874942362166567
Energy: 0.875195921551551
Energy: 0.8682601306794167
Energy: 0.9016851568022459
Energy: 0.8725760772486635
Energy: 0.8689823465781793
Energy: 0.8747895921071999
Energy: 0.8748328693150347
Energy: 0.8675205498325399
Energy: 0.8840770166025715
Energy: 0.8739840655288017
Energy: 0.8729950337366003
Energy: 0.8730979674098063
Energy: 0.8783679645513409
Energy: 0.8717364588395685
Energy: 0.9444092671057172
Energy: 0.8646417377444191
Energy: 0.8682273037029882
Energy: 0.8728132498636657
Energy: 0.8844964812498415
Energy: 0.8680706169534588
Energy: 0.9502617986450582
Energy: 0.8678190061444779
Energy: 0.8867184124223673
Energy: 0.9223835908110007
Energy: 0.8714345018970879
Energy: 0.8827387367383892
Energy: 0.9235104724581662
Energy: 0.8662052678374894
Energy: 0.8692732082116733
Energy: 0.8621468902446797
Energy: 0.8638003453398654
Energy: 0.8682072471484873
Energy: 0.9172682459014497
Energy: 0.8749789051483406
Energy: 0.8691387449424187
Energy: 0.8677127006037272
Energy: 0.8689881082280868
Energy: 0.867917365491078
Energy: 0.917805632620116
Energy: 0.8710405869158476
Energy: 0.8684443103849014
Energy: 0.868554179495781
Energy: 0.8706031162398813
Energy: 0.8675215117113102
Energy: 0.9270542288459469
Energy: 0.8622277160656476
Energy: 0.861646634364805
Energy: 0.8987433888032225
Energy: 0.8692801530450943
Energy: 0.8634526154618984
Energy: 1.0226488826305429
Energy: 0.8708464678705552
Energy: 0.868400621683667
Energy: 0.8698687708339662
Energy: 0.874396208507927
Energy: 0.8676661618570068
Energy: 0.8941158323044829
Energy: 0.8780388466747981
Energy: 0.8708639456871857
Energy: 0.8693494035846693
Energy: 0.8761630595149501
Energy: 0.8698417521481883

minimum gb energy = 0.8603129800655718 eV
minimum distance =  2.53643299031589 Angstroms
sigma value = 57


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

Energy: 1.2092978694940713
Energy: 0.8644302642099743
Energy: 0.8864396572051952
Energy: 0.8639240616287867
Energy: 0.8849840138569793
Energy: 0.863791304265734
Energy: 0.863662697181886
Energy: 0.8856809261637352
Energy: 0.8895428336225435
Energy: 0.8848653413431372
Energy: 0.8867770037750888
Energy: 0.8919939291703666
Energy: 0.8928329455854692
Energy: 0.8813730572185905
Energy: 0.8894722861476732
Energy: 0.8848123921698426
Energy: 0.8855319127520737
Energy: 0.8864652995107394
Energy: 0.8846813608451845
Energy: 0.8861370394843596
Energy: 0.8889942012157409
Energy: 0.8855181179363687
Energy: 0.881364874006096
Energy: 0.8880015149716276
Energy: 0.8898420635896755
Energy: 0.8844001153887254
Energy: 0.8890869333419493
Energy: 0.8852979649916863
Energy: 0.8859056142025156
Energy: 0.8898343534803493
Energy: 0.8875721450346807
Energy: 0.8916920923050772
Energy: 0.885977627464296
Energy: 0.88519367760383
Energy: 0.885760385627233
Energy: 0.8875018295907626
Energy: 0.8914902789781556
Energy: 0.8943971686475046
Energy: 0.8948283012275359
Energy: 0.8855273270828453
Energy: 0.8951067861871734
Energy: 0.8943044606563386
Energy: 0.9644082853963735
Energy: 0.8896744603206079
Energy: 0.8910865010333415
Energy: 0.8868579629894072
Energy: 0.8853529903817274
Energy: 0.889286660020508
Energy: 0.8634258052241848
Energy: 0.886276864091826
Energy: 0.8818624428196199
Energy: 0.8635014066239519
Energy: 0.8841672374823478
Energy: 0.878887862734094
Energy: 0.8632992085764906
Energy: 0.8861035829708374
Energy: 0.8810363459901078
Energy: 0.867618781292265
Energy: 0.8852799735850923
Energy: 0.8644280462888222
Energy: 0.9644168251511582
Energy: 0.8898984534448288
Energy: 0.8921712613072525
Energy: 0.8865124846610586
Energy: 0.8848611662952522
Energy: 0.8901273185966438
Energy: 0.8841613255057216
Energy: 0.8979746865063678
Energy: 0.8894371350300898
Energy: 0.8842687788013103
Energy: 0.881302717298922
Energy: 0.8902379777664852
Energy: 0.892451729011767
Energy: 0.8871969643848266
Energy: 0.889220991978671
Energy: 0.8859739387847343
Energy: 0.886108149273454
Energy: 0.8887581372776626
Energy: 0.8861964283903664
Energy: 0.8858076728540993
Energy: 0.8855837842359122
Energy: 0.8850771445766852
Energy: 0.8858567668368769
Energy: 0.8880634713596276
Energy: 0.8850955120206339
Energy: 0.8647839543515322
Energy: 0.8904626035057294
Energy: 0.886188316057454
Energy: 0.8639664340235068
Energy: 0.8906042459411807
Energy: 0.8924067796905808
Energy: 0.8646418261635035
Energy: 0.8644248840086114
Energy: 0.8849108039890319
Energy: 0.8990900106268278
Energy: 0.8879814855540604
Energy: 0.8637672518966688
Energy: 0.8857343173455298
Energy: 0.887005175374375
Energy: 0.8637186407755637
Energy: 0.8861971293522258
Energy: 0.8901259106380213

minimum gb energy = 0.8632992085764906 eV
minimum distance =  2.54947003776044 Angstroms
sigma value = 9


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

Energy: 1.0322241654116864
Energy: 0.9901374828957723
Energy: 0.9239082965868479
Energy: 0.9514748787544558
Energy: 0.9812147606579291
Energy: 0.9238605936637514
Energy: 1.0256476669944055
Energy: 0.9405609472010721
Energy: 0.9339448938887182
Energy: 0.9267375178315833
Energy: 0.9554207365327879
Energy: 0.9351095722167492
Energy: 0.9542965917253061
Energy: 0.9364460210787969
Energy: 0.9379544309376644
Energy: 0.9186759541746758
Energy: 0.9358858839112167
Energy: 0.9319244408571535
Energy: 0.9404045934425148
Energy: 0.9326287159021192
Energy: 0.9262520863156924
Energy: 0.9393322114594773
Energy: 0.9329683448050782
Energy: 0.926647471613906
Energy: 0.9294753695923852
Energy: 0.923878103563279
Energy: 0.9267929049204967
Energy: 0.9183507082390516
Energy: 0.9192969468209105
Energy: 0.9302465363879762
Energy: 0.9287248077282554
Energy: 0.9226441858822615
Energy: 0.9202405759868268
Energy: 0.9327119870327175
Energy: 0.9266839910830098
Energy: 0.9198921849882038
Energy: 0.9373285904161752
Energy: 0.922168281999709
Energy: 0.9373925757460051
Energy: 0.9184263736402096
Energy: 0.9249978812344612
Energy: 0.9397155027459799
Energy: 0.9872519820193854
Energy: 0.9234137695268507
Energy: 0.9228956555109601
Energy: 0.9359906101366865
Energy: 0.9221131972814202
Energy: 0.922708441892677
Energy: 0.9773677367353469
Energy: 0.9219761768193675
Energy: 0.9236663536113966
Energy: 0.9304024619028864
Energy: 0.9194438323128188
Energy: 0.9334754136913683
Energy: 0.9635609148052928
Energy: 0.9222515191638052
Energy: 0.923815535423369
Energy: 0.9315799873371553
Energy: 0.9354902500266231
Energy: 0.9178305355745396
Energy: 0.983174533442302
Energy: 0.9262263508005092
Energy: 0.9197815105441973
Energy: 0.9362302423014517
Energy: 0.923120523559101
Energy: 0.9189102540991364
Energy: 0.9737563649333333
Energy: 0.9403968708213051
Energy: 0.9373626936208559
Energy: 0.9566994334978886
Energy: 0.9317751753571841
Energy: 0.9358701441705433
Energy: 0.9756261061604851
Energy: 0.9330510363537355
Energy: 0.9322836636230896
Energy: 0.9220335200263733
Energy: 0.9353561430343116
Energy: 0.9199763766462178
Energy: 0.9780980592982457
Energy: 0.9307684114230165
Energy: 0.9290926148611944
Energy: 0.9354390731209418
Energy: 0.9331838930190488
Energy: 0.9258477604310464
Energy: 0.9723855815184893
Energy: 0.9224580456944206
Energy: 0.9195888043959676
Energy: 0.9577135636018994
Energy: 0.9231108725716547
Energy: 0.9189265850362008
Energy: 0.9555397855976147
Energy: 0.9318353751335847
Energy: 0.922314272017253
Energy: 0.9380131867014796
Energy: 0.9253923852927898
Energy: 0.9214666981163189
Energy: 0.9447099166168869
Energy: 0.927541385475304
Energy: 0.930222145227517
Energy: 0.9328985625471836
Energy: 0.9385736580023736
Energy: 0.9300964404567177
Energy: 1.0515955352214976
Energy: 0.9217197393962111
Energy: 0.9208096346849423
Energy: 0.9260220933827501
Energy: 0.9377629002460134
Energy: 0.9207766745392308
Energy: 0.9534403416236624
Energy: 0.9324155814769588
Energy: 0.9338619070057385
Energy: 0.935750311145198
Energy: 0.946167923798236
Energy: 0.9325627804954717
Energy: 0.9553006339147774
Energy: 0.9310434300639778
Energy: 0.9321245606444967
Energy: 0.9608979291997445
Energy: 0.9406993151023746
Energy: 0.9316404676389116
Energy: 0.9615384896776809
Energy: 0.9187574963482102
Energy: 0.939235859745885
Energy: 0.919318493462916
Energy: 0.9565804626699608
Energy: 0.9406533560542186

minimum gb energy = 0.9178305355745396 eV
minimum distance =  2.49464752397179 Angstroms
sigma value = 27


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

Energy: 0.8885328104625198
Energy: 0.8677174242458467
Energy: 0.8662069012926654
Energy: 0.886987985057154
Energy: 1.3617157536565425
Energy: 0.8667536145949158
Energy: 0.8801412240861003
Energy: 0.8880322442667865
Energy: 0.8787296019953584
Energy: 0.8849982992288264
Energy: 0.8919425036515424
Energy: 0.8781511903185149
Energy: 0.9006315739631613
Energy: 0.8772148481556867
Energy: 0.8761857116718382
Energy: 0.879259862610874
Energy: 0.8858198447835176
Energy: 0.8760653559724473
Energy: 0.8872618651116662
Energy: 0.8736630371209555
Energy: 0.8807252963110606
Energy: 0.8875947722638748
Energy: 0.8797845113568298
Energy: 0.8795618608269475
Energy: 0.9016915249395456
Energy: 0.875091831048673
Energy: 0.8732821916726851
Energy: 0.9021424058714559
Energy: 0.8835104605775117
Energy: 0.8743338705888252
Energy: 0.8917905935084657
Energy: 0.8805628585659748
Energy: 0.8778229241659501
Energy: 0.8857224893722335
Energy: 0.8857920923764914
Energy: 0.8762649556653941
Energy: 0.8855772326287557
Energy: 0.8724853614104084
Energy: 0.8697936511215331
Energy: 0.8852422998868678
Energy: 0.866069443089432
Energy: 0.8670952230369747
Energy: 0.8977450760696912
Energy: 0.8859507480556222
Energy: 0.8827132475307603
Energy: 0.8877681706100816
Energy: 0.8851676513983532
Energy: 0.8803367668497474
Energy: 0.8988297711963192
Energy: 0.883065477973865
Energy: 0.8753794557474036
Energy: 0.8735978420376754
Energy: 0.884246693648238
Energy: 0.8754227815773993
Energy: 0.9900987592468607
Energy: 0.8836508760415004
Energy: 0.8769631620693429
Energy: 0.8736932526005214
Energy: 0.8866486735347612
Energy: 0.8771110092677636
Energy: 0.8988048678948413
Energy: 0.8826725509944856
Energy: 0.8782913685144941
Energy: 0.8859977476688626
Energy: 0.903175842412526
Energy: 0.8761508722838617
Energy: 0.8966934323111746
Energy: 0.8812378445560917
Energy: 0.8788368861187114
Energy: 0.8857389939641916
Energy: 0.8832526994641542
Energy: 0.8791836301293436
Energy: 0.8921575683897153
Energy: 0.8744383837121682
Energy: 0.8697970753186359
Energy: 0.8914324829616374
Energy: 0.8881429834705117
Energy: 0.8714246771141537
Energy: 0.9023908635446174
Energy: 0.881592834114854
Energy: 0.8769563221072495
Energy: 0.9035686288652796
Energy: 0.8850117961374613
Energy: 0.8677753347695805
Energy: 0.9013324065321796
Energy: 0.8817194869025808
Energy: 0.8787154250766788
Energy: 0.8858386064081512
Energy: 0.8736518923889774
Energy: 0.8768873213468525
Energy: 0.886319338041712
Energy: 0.8758872352800621
Energy: 0.8751841466213038
Energy: 0.8865870541336343
Energy: 0.8747717283333223
Energy: 0.8753443698839899
Energy: 0.8981239902754679
Energy: 0.8828348578459809
Energy: 0.8807247612713556
Energy: 0.900665769803177
Energy: 0.8869001633691125
Energy: 0.882099293803793
Energy: 0.8950639672298565
Energy: 0.8792559468460178
Energy: 0.8780182270626886
Energy: 0.8772035498142371
Energy: 0.8851678122004151
Energy: 0.8787819787538279
Energy: 0.8861074689212413
Energy: 0.8678219343267645
Energy: 0.8769800577783265
Energy: 0.8860450961287627
Energy: 0.8680899243804003
Energy: 0.8741086441267334
Energy: 0.8996272329449206
Energy: 0.8679686878307475
Energy: 0.8774150244802169
Energy: 0.8856206903352841
Energy: 0.8681094746596173
Energy: 0.8745505339319825
Energy: 0.8993876772105999
Energy: 0.8841644937290346
Energy: 0.8798967469937715
Energy: 0.8761511020675267
Energy: 0.8859626506557703
Energy: 0.8802172788254998
Energy: 0.8942112319407842
Energy: 0.8793696904228796
Energy: 0.8767673057132122
Energy: 0.896905419660046
Energy: 0.8856997942333161
Energy: 0.8768408279570684
Energy: 0.8975426670298002
Energy: 0.8784946557538414
Energy: 0.8779990696681702
Energy: 0.8856258441735949
Energy: 0.8830374861749873
Energy: 0.8779106114793365
Energy: 0.8983498200311791
Energy: 0.8801931843796877
Energy: 0.87708295765556
Energy: 0.88571211655693
Energy: 0.8730763819694074
Energy: 0.8744062051429478
Energy: 0.9021629213692423
Energy: 0.8815156905184494
Energy: 0.876856494630914
Energy: 0.9034712907073548
Energy: 0.8856975222368381
Energy: 0.867754809867038

minimum gb energy = 0.866069443089432 eV
minimum distance =  2.52749013298825 Angstroms
sigma value = 19


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

Energy: 0.9439647278178406
Energy: 0.8839011011284186
Energy: 0.9106322352406913
Energy: 0.9011037844044955
Energy: 0.8783378484246203
Energy: 0.9100695751921453
Energy: 0.9227202429505421
Energy: 0.8932023763582542
Energy: 0.890877202815526
Energy: 0.8890230439532592
Energy: 0.8971770599711546
Energy: 0.8915614332798616
Energy: 0.9193111418076927
Energy: 0.8902768752367223
Energy: 0.8893744052638183
Energy: 0.9018366901928441
Energy: 0.8930315079656161
Energy: 0.8893068063748465
Energy: 0.9154461013279652
Energy: 0.8930474223661726
Energy: 0.8934840802502109
Energy: 0.8933223885430331
Energy: 0.8901669809610843
Energy: 0.8937315350505918
Energy: 0.9150527127927077
Energy: 0.8888607511845927
Energy: 0.8884305601837814
Energy: 0.8993915874405282
Energy: 0.886595190445259
Energy: 0.8881882953334823
Energy: 0.9193553720088572
Energy: 0.8910309792663095
Energy: 0.8924572789708414
Energy: 0.9030014753561271
Energy: 0.8912606229589966
Energy: 0.8935720498188489
Energy: 0.9093514416587833
Energy: 0.8851562995338655
Energy: 0.8844501066797
Energy: 0.8916150892084352
Energy: 0.88820390097229
Energy: 0.8852588197399333
Energy: 0.9115937093170366
Energy: 0.8866504383948929
Energy: 0.8905887995086875
Energy: 0.89625764513686
Energy: 0.888035441309103
Energy: 0.8933555807577667
Energy: 0.9035705606728708
Energy: 0.8906811043125636
Energy: 0.8908995248954387
Energy: 0.8950065247567472
Energy: 0.8904824632122069
Energy: 0.8898459534091768
Energy: 0.9158597536591246
Energy: 0.8879873677879655
Energy: 0.8869798038080612
Energy: 0.8941091811340239
Energy: 0.8895572179246853
Energy: 0.8872106497731327
Energy: 0.9193879024435707
Energy: 0.8753720865637906
Energy: 0.874471233884249
Energy: 0.9177497358290715
Energy: 0.8774332153468004
Energy: 0.8755262766247065
Energy: 0.9227690107340509
Energy: 0.8739772970488677
Energy: 0.8870662253889923
Energy: 0.8775752464851203
Energy: 0.8809897589594745
Energy: 0.8732415557687839
Energy: 0.9292296289133402
Energy: 0.8750761981699128
Energy: 0.8849231126012619
Energy: 0.8908990191187851
Energy: 0.8766097581993139
Energy: 0.8850506974113214
Energy: 0.9349635316080805
Energy: 0.8941303339123069
Energy: 0.8916190414631883
Energy: 0.8774107931442835
Energy: 0.8928939536376526
Energy: 0.8879798948165718
Energy: 0.922415661924764
Energy: 0.8780679862598212
Energy: 0.8766765927996777
Energy: 0.8772962687102394
Energy: 0.875331903231825
Energy: 0.8776446597840057
Energy: 0.9316948434527843
Energy: 0.8757095559957682
Energy: 0.8756424999193183
Energy: 0.8740961768627826
Energy: 0.8772557047245483
Energy: 0.8762639989904577
Energy: 0.9081605581131675
Energy: 0.8868542928094716
Energy: 0.8973406214011239
Energy: 0.8784447274040921
Energy: 0.8910473464241307
Energy: 0.8994327470607951
Energy: 0.920573513675102
Energy: 0.8737185433757724
Energy: 0.8758504093745784
Energy: 0.8674373507947076
Energy: 0.874005853149126
Energy: 0.8739117589253168
Energy: 0.9289152558320524
Energy: 0.8755222817636762
Energy: 0.8758206959487239
Energy: 0.8950316589881836
Energy: 0.875281644321085
Energy: 0.8891738962847225
Energy: 0.9117104272919319
Energy: 0.8760456804760524
Energy: 0.8762912872914883
Energy: 0.8944235298655004
Energy: 0.876811192658636
Energy: 0.888467280531524
Energy: 0.8789775515986867
Energy: 0.8736427461223779
Energy: 0.8732197753620244
Energy: 0.877860914592492
Energy: 0.8737336879361159
Energy: 0.8718649199107078
Energy: 0.8776391423599091
Energy: 0.8755206425314146
Energy: 0.8743968868411156
Energy: 0.8787329751518285
Energy: 0.8757253929951412
Energy: 0.8742858446072396
Energy: 0.8998818642675349
Energy: 0.8998615849726067
Energy: 0.899533690985944
Energy: 0.895165627135367
Energy: 0.8720456639212357
Energy: 0.872241968809106
Energy: 0.9208816807095648
Energy: 0.8699019186041743
Energy: 0.8737466502210477
Energy: 0.9078165190894434
Energy: 0.8719392235942373
Energy: 0.8753139108525855
Energy: 0.9090958842051571
Energy: 0.8769626319645756
Energy: 0.8769271298025505
Energy: 0.8833194588699669
Energy: 0.8764224115200868
Energy: 0.8758983054820113
Energy: 0.9147293314939065
Energy: 0.8893692467735468
Energy: 0.8881817155490528
Energy: 0.8928455648492825
Energy: 0.8955794799429829
Energy: 0.8910935209016241
Energy: 0.9194601018039308
Energy: 0.8896490117364146
Energy: 0.8869935130732937
Energy: 0.8966781368489327
Energy: 0.8956415364220481
Energy: 0.8870685695826571
Energy: 0.9198270810941858
Energy: 0.8893809343230155
Energy: 0.890771088822125
Energy: 0.8889117339303728
Energy: 0.8965459791584911
Energy: 0.8908602785119552
Energy: 0.918504759905085
Energy: 0.9262675917747726
Energy: 0.925795703462026
Energy: 0.8691735563872957
Energy: 0.9130101858761553
Energy: 0.8817366565870416

minimum gb energy = 0.8674373507947076 eV
minimum distance =  2.49989779030601 Angstroms
sigma value = 101


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

Energy: 1.3522975541314501
Energy: 0.8524290526841161
Energy: 0.8599718798487421
Energy: 0.8325722131084173
Energy: 0.8456314000869932
Energy: 0.8329982756481298
Energy: 0.9292114085558875
Energy: 0.846129583941181
Energy: 0.8489593306690482
Energy: 0.8427242286969872
Energy: 0.8472273884745813
Energy: 0.8484825308430193
Energy: 0.8978761930832285
Energy: 0.842857187799751
Energy: 0.8437343913611569
Energy: 0.8566143038867076
Energy: 0.8435728311270991
Energy: 0.8457544496919984
Energy: 0.8878151969309849
Energy: 0.8464239602840474
Energy: 0.8463717525609367
Energy: 0.8473033775351586
Energy: 0.8451142192307312
Energy: 0.8461946888750805
Energy: 0.8650841330729282
Energy: 0.8601427070843278
Energy: 0.8590401490007187
Energy: 0.8575562190452899
Energy: 0.8567271099124467
Energy: 0.8600216453192118
Energy: 0.8603442910894473
Energy: 0.8462385700997406
Energy: 0.8462079496110009
Energy: 0.8476575333618606
Energy: 0.8456346426687636
Energy: 0.8464593385001492
Energy: 0.8811074930863939
Energy: 0.8396749833264602
Energy: 0.8409132802224593
Energy: 0.8559714536413331
Energy: 0.8396762340884961
Energy: 0.8428739936874684
Energy: 0.8710474195314848
Energy: 0.8444304368156694
Energy: 0.8451502449701196
Energy: 0.8656819864263746
Energy: 0.8471928249625503
Energy: 0.8472871051207372
Energy: 0.8482501133549853
Energy: 0.8465592230957978
Energy: 0.8465918853415607
Energy: 0.8426690138719631
Energy: 0.8538320475277876
Energy: 0.843596836059315
Energy: 0.8587052901254297
Energy: 0.856894093202168
Energy: 0.8540414747480084
Energy: 0.8436431642099513
Energy: 0.8602371507460147
Energy: 0.8533168190634131
Energy: 0.8660000254076005
Energy: 0.8313908149854803
Energy: 0.8331817691160028
Energy: 0.8461451342196419
Energy: 0.831115288896981
Energy: 0.8350801912115496
Energy: 0.9087795575418623
Energy: 0.8456378810370114
Energy: 0.8510221147153355
Energy: 0.8504628741505025
Energy: 0.8422083479194664
Energy: 0.8517892203102545
Energy: 0.8675971437506647
Energy: 0.8532674959778757
Energy: 0.8466053844214663
Energy: 0.8383666929625573
Energy: 0.8518921066923193
Energy: 0.8447501443398762
Energy: 0.8717553549152766
Energy: 0.8552156797611449
Energy: 0.8530139302368523
Energy: 0.8397816933999119
Energy: 0.8487553305770617
Energy: 0.8501216626837572
Energy: 0.8998015353038417
Energy: 0.8447248736369848
Energy: 0.8456553415531106
Energy: 0.8590885452095318
Energy: 0.8448117143607032
Energy: 0.8484125139223984
Energy: 0.8979071651286524
Energy: 0.8452834206876095
Energy: 0.8474449229764422
Energy: 0.8485501978674719
Energy: 0.8461645854249252
Energy: 0.846536108863535
Energy: 0.8650367462569949
Energy: 0.8413833267782894
Energy: 0.8545852537477175
Energy: 0.8235141259825468
Energy: 0.8411991330057205
Energy: 0.831435799808694
Energy: 0.9332389786226399
Energy: 0.8477474721461755
Energy: 0.8474064966545054
Energy: 0.8518260642830066
Energy: 0.845311906869903
Energy: 0.8525361342052458
Energy: 0.8976739223697449
Energy: 0.8436727311726798
Energy: 0.8451077426831213
Energy: 0.8548835236286473
Energy: 0.8433742958631053
Energy: 0.8462118164452924
Energy: 0.8859690151689875
Energy: 0.8451649273848885
Energy: 0.8461451504324923
Energy: 0.8456079438870666
Energy: 0.8439094587129126
Energy: 0.8472939422472685
Energy: 0.8670032840580337
Energy: 0.8557387978604324
Energy: 0.8464825875955141
Energy: 0.8541776112725463
Energy: 0.8551435580135682
Energy: 0.8531075972023189
Energy: 0.8620746715922656
Energy: 0.8473740740339089
Energy: 0.8496906490639022
Energy: 0.845695903391361
Energy: 0.846847521756672
Energy: 0.8496114611481911
Energy: 0.8704775410692769
Energy: 0.8420672707996951
Energy: 0.842899487316634
Energy: 0.8576944227032679
Energy: 0.8395114665473078
Energy: 0.8443423498408451
Energy: 0.8470606735313334
Energy: 0.8454794593263734
Energy: 0.8469178438935875
Energy: 0.8588750509037331
Energy: 0.8444002458231614
Energy: 0.8540070627240179
Energy: 0.8566962124129078
Energy: 0.8510398828772054
Energy: 0.8484032102432661
Energy: 0.8443235615551063
Energy: 0.847257518923444
Energy: 0.8463412454041443
Energy: 0.8490660172801039
Energy: 0.8546763672489953
Energy: 0.8511753202673822
Energy: 0.84204529490026
Energy: 0.8456743104992105
Energy: 0.8492560749651276
Energy: 0.888754123197969
Energy: 0.8315900173883238
Energy: 0.8324381086099243
Energy: 0.8442855655275572
Energy: 0.8304817295550845
Energy: 0.8346396455537644
Energy: 0.8984249492195158
Energy: 0.8305014118995354
Energy: 0.8395482128930073
Energy: 0.8488981935271369
Energy: 0.82876860290606
Energy: 0.8517743932416554
Energy: 0.8735417337536263
Energy: 0.8540704920441577
Energy: 0.8510818701600401
Energy: 0.8411168589879509
Energy: 0.8507370207858003
Energy: 0.8489778519317303
Energy: 0.8700326674222716
Energy: 0.8489064587357839
Energy: 0.8467821845963794
Energy: 0.8397289171575774
Energy: 0.8460642233645614
Energy: 0.8457945684214913
Energy: 0.8984938107571676
Energy: 0.846860005345233
Energy: 0.8475980309670939
Energy: 0.8499628901219917
Energy: 0.8412516407795264
Energy: 0.849163397962952
Energy: 0.8979260395437868
Energy: 0.8426521372955641
Energy: 0.8476439901572671
Energy: 0.8465375538485969
Energy: 0.8419820876412396
Energy: 0.8484764382114249
Energy: 0.8655567404063484
Energy: 0.8477238708804982
Energy: 0.846590597379719
Energy: 0.8295513039998591
Energy: 0.8417938073739302
Energy: 0.8451247528862321

minimum gb energy = 0.8235141259825468 eV
minimum distance =  2.50138787390765 Angstroms
sigma value = 33


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

Energy: 0.014733292587040545
Energy: 0.015594052042312543
Energy: 0.015407525390550132
Energy: 0.016722155556986876
Energy: 0.9330242189913069
Energy: 0.01520525812323163
Energy: 0.016105435064764424
Energy: 0.107477912363956
Energy: 0.10614188714599918
Energy: 0.1057696120733877
Energy: 0.10822345278661051
Energy: 0.10575651280208338
Energy: 1.2553106922032722
Energy: 0.9315432421627299
Energy: 0.931174219891455
Energy: 0.9295887759495725
Energy: 0.9322847454618726
Energy: 0.9298868207108665
Energy: 0.4228134891603765
Energy: 0.1074779123631901
Energy: 0.10614188714525456
Energy: 0.10576961207226014
Energy: 0.10822345278622754
Energy: 0.10575651280208338

minimum gb energy = 0.014733292587040545 eV
minimum distance =  2.71823602296709 Angstroms
sigma value = 1