Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080053493380546
cohesive_energy=3.930314152984703
mass=196.9665
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=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.7505046928868197e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44413502304444e-18, -4.81500541639386e-18, -6.75232535869398e-18, -9.61695309322062e-18, -1.410623599992228e-17, -2.1759801737007597e-17, -3.6448717335183e-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: 0.011900321920320886
Energy: 0.013048495652301376
Energy: 0.012738355529056647
Energy: 0.01376296430877342
Energy: 0.25486236943207763
Energy: 0.012272787428315314
Energy: 0.013048495651562802
Energy: 0.0643603386323531
Energy: 0.06438673526976756
Energy: 0.06446374717231237
Energy: 0.06431739403406549
Energy: 0.06436538229483997
Energy: 0.012738355528810457
Energy: 0.06438673527387075
Energy: 0.06432049403159278
Energy: 0.01237778485280837
Energy: 0.0643420646308919
Energy: 0.06535040057181268
Energy: 0.01376296430877342
Energy: 0.0644637471727774
Energy: 0.01237778485256218
Energy: 0.012195852067285474
Energy: 0.06439476716015732
Energy: 0.01229829224705749
Energy: 0.25486236943062784
Energy: 0.06431739402129091
Energy: 0.06434206463499509
Energy: 0.06439476716015732
Energy: 0.06438722997573304
Energy: 0.06424491629710138
Energy: 0.0122727874288077
Energy: 0.06436538229678213
Energy: 0.06535040057252389
Energy: 0.01229829224705749
Energy: 0.06424491629734758
Energy: 0.012535949592247693

minimum gb energy = 0.011900321920320886 eV
minimum distance =  2.8785149880615 Angstroms
sigma value = 1


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

Energy: 0.7957590865856368
Energy: 0.5154168496171696
Energy: 0.5157599509571763
Energy: 0.49800784248415875
Energy: 0.7430857989193362
Energy: 0.5162414485428483
Energy: 0.7336520562362202
Energy: 0.4809393042576789
Energy: 0.484377526415094
Energy: 0.4671922724538657
Energy: 0.4898597348127313
Energy: 0.4783590526391804
Energy: 0.7208700889648284
Energy: 0.48048420102479544
Energy: 0.482211777107484
Energy: 0.4789157843078487
Energy: 0.4779390009183895
Energy: 0.48318397424805803
Energy: 0.7765683151147029
Energy: 0.4801644219240401
Energy: 0.4979522277444021
Energy: 0.47169788117981015
Energy: 0.4803599314889589
Energy: 0.47974960822492807
Energy: 0.7086437984790711
Energy: 0.4865015985932841
Energy: 0.4850291765331718
Energy: 0.4759233037202208
Energy: 0.48760543296823766
Energy: 0.4825227662881021
Energy: 0.7050046564255048
Energy: 0.4974767984123993
Energy: 0.48569247257891474
Energy: 0.479183826889407
Energy: 0.49811551697996787
Energy: 0.48476889535779827
Energy: 0.7062227848256374
Energy: 0.48319134130447877
Energy: 0.48816753145877617
Energy: 0.47857572598886783
Energy: 0.45782091796326324
Energy: 0.47970646234072156
Energy: 0.6959176348556761
Energy: 0.4809909274160068
Energy: 0.4972112146950317
Energy: 0.45779896615066545
Energy: 0.48031311146976646
Energy: 0.4825549653307761
Energy: 0.584876975707927
Energy: 0.4788737422321356
Energy: 0.4787035632874413
Energy: 0.4949549009698675
Energy: 0.48314033630022396
Energy: 0.4835554311945676
Energy: 0.5910940833051007
Energy: 0.47644224363668125
Energy: 0.4831453679639852
Energy: 0.4823679374251463
Energy: 0.4767157949030331
Energy: 0.4857566258303603
Energy: 0.5837689501709001
Energy: 0.47750261126748605
Energy: 0.47810000786084483
Energy: 0.516645816933996
Energy: 0.47733807944725815
Energy: 0.48154076439862886
Energy: 0.5335527016957695
Energy: 0.4833964730172808
Energy: 0.48269141947928895
Energy: 0.48710158105815793
Energy: 0.4770551173640874
Energy: 0.4824301266092092
Energy: 0.5297144224120811
Energy: 0.47796016748778825
Energy: 0.4781946500001932
Energy: 0.48582053129815
Energy: 0.47774145937393087
Energy: 0.4786236033397136
Energy: 0.5721126037547593
Energy: 0.4756271160417019
Energy: 0.4986448976102484
Energy: 0.4899974716325028
Energy: 0.48628807619490244
Energy: 0.4807250265105753
Energy: 0.5528640445434919
Energy: 0.47603872902878913
Energy: 0.4828687189524393
Energy: 0.49172246134491243
Energy: 0.4762663870082944
Energy: 0.4852633259873078
Energy: 0.5482246564788521
Energy: 0.4818708490100014
Energy: 0.4796093801482516
Energy: 0.4856918788379264
Energy: 0.4831954454564477
Energy: 0.47884169757454725
Energy: 0.664321891161324
Energy: 0.4786939313374853
Energy: 0.48186412895627834
Energy: 0.4769668667705919
Energy: 0.47791716896529857
Energy: 0.47511279023028746
Energy: 0.6428785155625487
Energy: 0.48136537286307085
Energy: 0.4902250702041573
Energy: 0.4851506220524571
Energy: 0.4536051893207564
Energy: 0.4917705711310849
Energy: 0.6442008840335212
Energy: 0.49393700283304703
Energy: 0.49204952109019906
Energy: 0.481751704255221
Energy: 0.48533291091107733
Energy: 0.4914630575271716
Energy: 0.6837984339527198
Energy: 0.4855143323712338
Energy: 0.49254772444826384
Energy: 0.48077894886778105
Energy: 0.4857604973923847
Energy: 0.49174004284719425
Energy: 0.7324842544112653
Energy: 0.48053889723325693
Energy: 0.48228915987817755
Energy: 0.47668205202728126
Energy: 0.47297881861618174
Energy: 0.4814583162618411
Energy: 0.7393935880763245
Energy: 0.48149106224811394
Energy: 0.48359920001123996
Energy: 0.4758118122116812
Energy: 0.47504920386857763
Energy: 0.4794613680376841
Energy: 0.7328206641799394
Energy: 0.48174582800963783
Energy: 0.4843520951873353
Energy: 0.4771540977357685
Energy: 0.4929395379334652
Energy: 0.47772712468959255

minimum gb energy = 0.4536051893207564 eV
minimum distance =  2.69217669145843 Angstroms
sigma value = 33


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

Energy: 0.8750099987510743
Energy: 0.527229820983947
Energy: 0.5280284077239961
Energy: 0.527241682191523
Energy: 0.5199377295612615
Energy: 0.5264678034546303
Energy: 0.6124476998013252
Energy: 0.476031975987501
Energy: 0.4747308453293036
Energy: 0.49487260214878637
Energy: 0.5162515367205909
Energy: 0.48732854682170224
Energy: 0.6623557654470338
Energy: 0.4908261286730363
Energy: 0.47530918389536736
Energy: 0.4941032829155825
Energy: 0.5169672621870148
Energy: 0.4862852202949089
Energy: 0.6977340010126463
Energy: 0.5032417540322246
Energy: 0.5030690643612361
Energy: 0.4905559123231224
Energy: 0.5165267967560512
Energy: 0.488472773525191
Energy: 0.65767132054131
Energy: 0.47513261756203035
Energy: 0.49410594695385335
Energy: 0.4723872947245445
Energy: 0.5049763215046009
Energy: 0.5067842380502792
Energy: 0.7010696444887398
Energy: 0.5085975162980009
Energy: 0.5094111341322409
Energy: 0.48890078447295554
Energy: 0.5219159693132216
Energy: 0.4962222913902457
Energy: 0.6998495279276239
Energy: 0.47846030296635783
Energy: 0.4794376321638106
Energy: 0.4878754064235433
Energy: 0.47755801315539115
Energy: 0.4967042005130229
Energy: 0.65803878513859
Energy: 0.5089667391736398
Energy: 0.5060587607797161
Energy: 0.5031667183754805
Energy: 0.5053054153146577
Energy: 0.5044077877817433
Energy: 0.5719713356470294
Energy: 0.4710338142214553
Energy: 0.4875926883867558
Energy: 0.509106034594572
Energy: 0.47001112470262835
Energy: 0.49698949187967756
Energy: 0.5702056079798012
Energy: 0.47469702873416186
Energy: 0.5064273007230349
Energy: 0.5044789399826244
Energy: 0.47221872620425326
Energy: 0.5078858471796045
Energy: 0.5755779317489563
Energy: 0.49803414742224705
Energy: 0.49794549615094336
Energy: 0.5005765366388184
Energy: 0.47062184895597453
Energy: 0.4983546053891522
Energy: 0.5292674522645353
Energy: 0.471853813299158
Energy: 0.4859036364053388
Energy: 0.5164465996573046
Energy: 0.5037480170355582
Energy: 0.4899085832151334
Energy: 0.5282513796048921
Energy: 0.4863278409268388
Energy: 0.485883722600242
Energy: 0.5167781602520304
Energy: 0.48837069774598735
Energy: 0.49377235824525106
Energy: 0.5333021140615318
Energy: 0.4896461594101078
Energy: 0.4895344303214321
Energy: 0.5213172908624224
Energy: 0.4719033240353399
Energy: 0.4897733434169031
Energy: 0.5795065383653688
Energy: 0.4959737422249138
Energy: 0.5069336595150538
Energy: 0.5042053479194957
Energy: 0.4727535415924605
Energy: 0.4757692517080076
Energy: 0.5721802000965306
Energy: 0.487037888296485
Energy: 0.48816157634727836
Energy: 0.4898709825004431
Energy: 0.4933421622001903
Energy: 0.4907719397505785
Energy: 0.6575428540105708
Energy: 0.49665561622538357
Energy: 0.47928206287923
Energy: 0.4905113611586616
Energy: 0.4972717505984103
Energy: 0.4783317696659593
Energy: 0.6197868459952837
Energy: 0.4786713791503433
Energy: 0.4788366488730866
Energy: 0.47392813102731746
Energy: 0.4780841446394356
Energy: 0.5048529856829007
Energy: 0.6117950064827147
Energy: 0.5089650987247296
Energy: 0.49833068963133403
Energy: 0.4701334775209283
Energy: 0.508966612485016
Energy: 0.49433102731968553
Energy: 0.6576076836831033
Energy: 0.4771542026363048
Energy: 0.49524227053080566
Energy: 0.47171539538464136
Energy: 0.5057271871306941
Energy: 0.5068961458681052
Energy: 0.7814415132555907
Energy: 0.493314550433416
Energy: 0.49811771398740023
Energy: 0.498097389831074
Energy: 0.4925573813543302
Energy: 0.4978997013955414
Energy: 0.6118273090247434
Energy: 0.49100718772777785
Energy: 0.49322299672703196
Energy: 0.47038398238764717
Energy: 0.5169251343305633
Energy: 0.48630920423939106
Energy: 0.6590171698039035
Energy: 0.47594024360320236
Energy: 0.47435728560912205
Energy: 0.5094702061772964
Energy: 0.5160620345862681
Energy: 0.48751797516550915
Energy: 0.6977319663577252
Energy: 0.49473840250966666
Energy: 0.5037616219920619
Energy: 0.48998996403577466
Energy: 0.5214879634932967
Energy: 0.49726365779499704
Energy: 0.6583988735964883
Energy: 0.47627338436496597
Energy: 0.47472358165441314
Energy: 0.47371915008655796
Energy: 0.5034507438387475
Energy: 0.48707546234717425
Energy: 0.7006824872668194
Energy: 0.5085514437471014
Energy: 0.49441762966247754
Energy: 0.49527497585809466
Energy: 0.510188171366637
Energy: 0.48782171822198833
Energy: 0.698085346158393
Energy: 0.4902897931653962
Energy: 0.49041934636197093
Energy: 0.5087303636661588
Energy: 0.5016150827892472
Energy: 0.4904844089878479
Energy: 0.6589966301955066
Energy: 0.5071987470605592
Energy: 0.505721701391801
Energy: 0.4779998042964607
Energy: 0.47123438559757425
Energy: 0.4800086092072872
Energy: 0.574971029625463
Energy: 0.5075851008942481
Energy: 0.5055773427187862
Energy: 0.5057978468085358
Energy: 0.4738636376543874
Energy: 0.5003286145159991
Energy: 0.5742625450307624
Energy: 0.47313056789596514
Energy: 0.505829845146171
Energy: 0.505477936762102
Energy: 0.47198177714669326
Energy: 0.49602729390375505
Energy: 0.6244825189182707
Energy: 0.48631146726082297
Energy: 0.4854772936012932
Energy: 0.49072114374763753
Energy: 0.49860170013900007
Energy: 0.4981522726920152
Energy: 0.5328337859890264
Energy: 0.47370599340673686
Energy: 0.47124433614301386
Energy: 0.5175137442403877
Energy: 0.47346719941694415
Energy: 0.4867798975346939
Energy: 0.5308437143057051
Energy: 0.4932979227133353
Energy: 0.48648934072572897
Energy: 0.5316505286355431
Energy: 0.49519240650288493
Energy: 0.47476955111170793
Energy: 0.5334994899415911
Energy: 0.4874300396485309
Energy: 0.4870699713617294
Energy: 0.533900091255108
Energy: 0.48913762774263464
Energy: 0.486634406498744
Energy: 0.5707360733516222
Energy: 0.4860605141261243
Energy: 0.48585143675289566
Energy: 0.5031830833094598
Energy: 0.48754404590254713
Energy: 0.47596953443188217
Energy: 0.5714631268169704
Energy: 0.4884254369366482
Energy: 0.4872972986224982
Energy: 0.5095148412995163
Energy: 0.49514018491049466
Energy: 0.4955103631548469
Energy: 0.5706958203963086
Energy: 0.49104139392153556
Energy: 0.4911503710967801
Energy: 0.4890673926662016
Energy: 0.49033797716204314
Energy: 0.491073113554335
Energy: 0.6120882460911211
Energy: 0.47877961353755083
Energy: 0.498768483545115
Energy: 0.4698489978669558
Energy: 0.4784318710290606
Energy: 0.49505292889590796
Energy: 0.618059033566557
Energy: 0.49184292316359013
Energy: 0.4914176147327212
Energy: 0.5031394757904054
Energy: 0.5048104767960816
Energy: 0.5047656299968545
Energy: 0.6574973971662992
Energy: 0.49419272572926837
Energy: 0.49505938415695294
Energy: 0.4747835146070538
Energy: 0.5218313698535814
Energy: 0.504839496541543
Energy: 0.7786691959192626
Energy: 0.4941516674575279
Energy: 0.4852340453353503
Energy: 0.47055450028118984
Energy: 0.516482039041994
Energy: 0.4853172802625958

minimum gb energy = 0.4698489978669558 eV
minimum distance =  2.69713765022407 Angstroms
sigma value = 51


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

Energy: 0.8269728104190543
Energy: 0.48904318015999726
Energy: 0.48898384394338223
Energy: 0.49262718775052966
Energy: 0.5185076760548519
Energy: 0.5533646572177949
Energy: 0.6700842797567916
Energy: 0.49101710419855044
Energy: 0.4906135860390411
Energy: 0.4749115319021474
Energy: 0.5159327309107586
Energy: 0.4906372034680676
Energy: 0.7215571979784621
Energy: 0.5063758423165658
Energy: 0.49797740393576156
Energy: 0.49109972567651866
Energy: 0.5187413308623573
Energy: 0.5066476833983243
Energy: 0.7198755524295227
Energy: 0.5072582272692367
Energy: 0.5116900864152908
Energy: 0.46680983705113627
Energy: 0.5043539313992988
Energy: 0.5005159553753016
Energy: 0.6281425927793698
Energy: 0.4743902511412768
Energy: 0.4740428060284027
Energy: 0.47465926684694637
Energy: 0.5208292942321727
Energy: 0.5193047742778161
Energy: 0.6281077264605278
Energy: 0.517311846236595
Energy: 0.5169554854319254
Energy: 0.5192047740144516
Energy: 0.4742167065291273
Energy: 0.5162925324643123
Energy: 0.6308209147519801
Energy: 0.4745469353221076
Energy: 0.4742920823606903
Energy: 0.5196311394783006
Energy: 0.47443645078611374
Energy: 0.4745581465024713
Energy: 0.6201081269764775
Energy: 0.48254412390356893
Energy: 0.4834237918433098
Energy: 0.504043021901998
Energy: 0.4694938069248863
Energy: 0.485936424601551
Energy: 0.5413254447054405
Energy: 0.5079143288793719
Energy: 0.5080607278501004
Energy: 0.5180240191470509
Energy: 0.49405122172171406
Energy: 0.5176193109927562
Energy: 0.5415076905196013
Energy: 0.4749219092924991
Energy: 0.49078122579119227
Energy: 0.516271284274472
Energy: 0.47433001742480757
Energy: 0.5040276404443371
Energy: 0.5413922015876398
Energy: 0.48395275101945606
Energy: 0.4840191440808604
Energy: 0.5416184118962308
Energy: 0.4843822323753439
Energy: 0.49506294327850364
Energy: 0.5654976396697626
Energy: 0.4750610949568684
Energy: 0.47447743510886325
Energy: 0.5062482748531258
Energy: 0.5003661237885545
Energy: 0.5039771967200748
Energy: 0.5645248698389809
Energy: 0.5080014928396017
Energy: 0.5076360738108316
Energy: 0.5222888047326598
Energy: 0.4928389739920695
Energy: 0.5139048543713912
Energy: 0.565633680636069
Energy: 0.4850818963640553
Energy: 0.48608778454905144
Energy: 0.5066422091985693
Energy: 0.4699182456920935
Energy: 0.4860196645701703
Energy: 0.6696809366820297
Energy: 0.4927308741600069
Energy: 0.508185977100874
Energy: 0.5129466126295638
Energy: 0.491879896257102
Energy: 0.5081891979266326
Energy: 0.6680799221242028
Energy: 0.5069355156703392
Energy: 0.5017714357062395
Energy: 0.4826184428985653
Energy: 0.5196347132691056
Energy: 0.48496765137859627
Energy: 0.6725828115913499
Energy: 0.5052885128043875
Energy: 0.490110266546741
Energy: 0.5076576307339281
Energy: 0.5264049912757891
Energy: 0.49081226133229006
Energy: 0.7729525443460514
Energy: 0.509711394784592
Energy: 0.4946652622057885
Energy: 0.5062124939460582
Energy: 0.49133101807474794
Energy: 0.5043030904150456

minimum gb energy = 0.46680983705113627 eV
minimum distance =  2.64362442412001 Angstroms
sigma value = 19


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

Energy: 0.68582688179647
Energy: 0.5086015749324037
Energy: 0.5464602092006229
Energy: 0.548144572693067
Energy: 0.5062314470161442
Energy: 0.5072633660765753
Energy: 0.6940713217179431
Energy: 0.5048062169887942
Energy: 0.5044441607904063
Energy: 0.5212425288463834
Energy: 0.5049870040874666
Energy: 0.5048627925810808
Energy: 0.5964943473218383
Energy: 0.504772121996086
Energy: 0.5045643987229528
Energy: 0.5216509343903989
Energy: 0.504886511890586
Energy: 0.504787571335269
Energy: 0.5909747915745639
Energy: 0.5042600897501552
Energy: 0.5043932506523598
Energy: 0.5011644515546686
Energy: 0.5044090755738843
Energy: 0.5055911585777904
Energy: 0.5971603602243832
Energy: 0.5049602834667279
Energy: 0.5214622843701099
Energy: 0.5224316641683429
Energy: 0.5055739115646409
Energy: 0.5208489385858152
Energy: 0.5965967198786196
Energy: 0.48691739534092987
Energy: 0.5212763030567359
Energy: 0.5216503792225516
Energy: 0.4868105555897084
Energy: 0.521866318831557
Energy: 0.5980636269315354
Energy: 0.5222374547814485
Energy: 0.5214908447037343
Energy: 0.5213892583514246
Energy: 0.496242592470154
Energy: 0.5216190048370559
Energy: 0.5666499327100655
Energy: 0.4792491999395346
Energy: 0.4793484873887202
Energy: 0.5060297934999887
Energy: 0.4801974729599232
Energy: 0.4795381164156543
Energy: 0.5048626679075868
Energy: 0.47926303270494763
Energy: 0.479606333660515
Energy: 0.5049496965811776
Energy: 0.4799336504378873
Energy: 0.4794218197441327
Energy: 0.5050222038243941
Energy: 0.5036779701891522
Energy: 0.5053338812841438
Energy: 0.5049764863729447
Energy: 0.5227489771894308
Energy: 0.5045388084379508
Energy: 0.5039179495288392
Energy: 0.5017789966591374
Energy: 0.5026581826195381
Energy: 0.5040023017299737
Energy: 0.5020722328435666
Energy: 0.5061075616446492
Energy: 0.5970703408205158
Energy: 0.5220336803843619
Energy: 0.521227329671453
Energy: 0.5047743870332745
Energy: 0.5185356946171676
Energy: 0.5048588922309851
Energy: 0.49065281016212886
Energy: 0.5214915870545047
Energy: 0.5214512129936294
Energy: 0.48730610599610985
Energy: 0.5215166494482446
Energy: 0.5212364367240738
Energy: 0.5978361185218655
Energy: 0.5226080998770282
Energy: 0.5225030578715162
Energy: 0.5044340374371828
Energy: 0.5221283848600712
Energy: 0.5219258337678376
Energy: 0.695647539533215
Energy: 0.5051019354353457
Energy: 0.5056730655301686
Energy: 0.48009224728331923
Energy: 0.5047559550173392
Energy: 0.47971550271202734
Energy: 0.6901231969359555
Energy: 0.5199671725908641
Energy: 0.47955521713177207
Energy: 0.4793269068180458
Energy: 0.5051392638441827
Energy: 0.4795637400331408
Energy: 0.5969611727854305
Energy: 0.505000762276525
Energy: 0.5046487051686154
Energy: 0.5219944737540608
Energy: 0.5046881033248969
Energy: 0.504607449874934
Energy: 0.5945070000257182
Energy: 0.5053359976372377
Energy: 0.5047716924463534
Energy: 0.5010162700887695
Energy: 0.5049764331149826
Energy: 0.505136466349486
Energy: 0.5920916165276318
Energy: 0.5046959073484754
Energy: 0.5047865474664134
Energy: 0.5011750153399995
Energy: 0.5046618266272918
Energy: 0.5046252315756706
Energy: 0.5973828016503273
Energy: 0.4867623530010018
Energy: 0.5173794640896004
Energy: 0.5213917825668037
Energy: 0.4868236185666125
Energy: 0.5199240482966316
Energy: 0.591125160073043
Energy: 0.5211727600395776
Energy: 0.5218115221532525
Energy: 0.5222291474444569
Energy: 0.5048456321310664
Energy: 0.5224519908717167
Energy: 0.5971839112053923
Energy: 0.49677692657290157
Energy: 0.5214912331095989
Energy: 0.5212020047191747
Energy: 0.4960966489732229
Energy: 0.521373815873403
Energy: 0.5666540057567094
Energy: 0.48129559138090156
Energy: 0.48129461368426796
Energy: 0.5666836434070276
Energy: 0.4814889263239239
Energy: 0.48428552691947263
Energy: 0.5049628093676589
Energy: 0.5213270846686409
Energy: 0.5058010514490291
Energy: 0.5048957878565341
Energy: 0.5063532246110127
Energy: 0.5046000013030557
Energy: 0.5047990010154422
Energy: 0.5052250004127788
Energy: 0.5059954294061602
Energy: 0.5048806617192199
Energy: 0.5218921328201644
Energy: 0.5045086944701918
Energy: 0.5675874404568778
Energy: 0.5013031459907258
Energy: 0.5038870167953569
Energy: 0.5665756657680098
Energy: 0.5011649352329245
Energy: 0.5044679282290329
Energy: 0.5974140666970709
Energy: 0.5227733278809732
Energy: 0.5212649721732932
Energy: 0.5058821884346251
Energy: 0.5186515857551377
Energy: 0.5212090574359107
Energy: 0.4907787403346277
Energy: 0.5226347990223902
Energy: 0.5165669553062121
Energy: 0.486913479717728
Energy: 0.5222309481741481
Energy: 0.5213706656252578
Energy: 0.5662316032075932
Energy: 0.5222796140696762
Energy: 0.5173351777816597
Energy: 0.4965738166606621
Energy: 0.5217669041652936
Energy: 0.5214558808261792
Energy: 0.6911664738344653
Energy: 0.5065614946653806
Energy: 0.47944424475375136
Energy: 0.47977439050513504
Energy: 0.5058370768339199
Energy: 0.47958230709370964

minimum gb energy = 0.4792491999395346 eV
minimum distance =  2.71474675987436 Angstroms
sigma value = 27


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

Energy: 0.5890698607735438
Energy: 0.5161718773350754
Energy: 0.5795711512931039
Energy: 0.4788882196664308
Energy: 0.5015163034304999
Energy: 0.5793687223295141
Energy: 0.5265289011415827
Energy: 0.49306284262923156
Energy: 0.45687947531898293
Energy: 0.44823220436338823
Energy: 0.49721886379192015
Energy: 0.4190253709382318
Energy: 0.5358949324369379
Energy: 0.4909310061877042
Energy: 0.448646508137813
Energy: 0.4197164623258461
Energy: 0.4957103262908574
Energy: 0.41922431579407976
Energy: 0.47390698388029023
Energy: 0.41932342492641494
Energy: 0.41855033902335326
Energy: 0.4518576584813249
Energy: 0.45905311868951615
Energy: 0.4184178074395528
Energy: 0.5840073179548518
Energy: 0.42288150207056857
Energy: 0.41953207237991996
Energy: 0.46123466256850126
Energy: 0.4274740282946827
Energy: 0.41942048536625925
Energy: 0.4984730184635802
Energy: 0.39936847082563237
Energy: 0.4238063665288809
Energy: 0.48996572778517433
Energy: 0.4242377170119452
Energy: 0.39698592259559684
Energy: 0.5011677372857332
Energy: 0.4461940556339769
Energy: 0.44180146942627213
Energy: 0.4980489566408628
Energy: 0.44658274207961374
Energy: 0.44740889961027125
Energy: 0.5006247868311959
Energy: 0.44489648406434995
Energy: 0.44335988063071546
Energy: 0.5000668475412547
Energy: 0.44597891818016944
Energy: 0.445101025715491
Energy: 0.5343124238204466
Energy: 0.4185114661589209
Energy: 0.4448106849315131
Energy: 0.4988523070503112
Energy: 0.4442785452883427
Energy: 0.4197556960138705
Energy: 0.47718482130893436
Energy: 0.44872579956423714
Energy: 0.4465548361607927
Energy: 0.48440556499513476
Energy: 0.4526503809634315
Energy: 0.4465222835191815
Energy: 0.5356454553231119
Energy: 0.48505459038717125
Energy: 0.48428027509392824
Energy: 0.447608891722201
Energy: 0.48576866499241844
Energy: 0.4480591807266357
Energy: 0.5265289019911353
Energy: 0.4476945741631602
Energy: 0.456898173340534
Energy: 0.44956229518435176
Energy: 0.4476722870114301
Energy: 0.41894210540632804

minimum gb energy = 0.39698592259559684 eV
minimum distance =  2.73557756015193 Angstroms
sigma value = 9


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

Energy: 0.9701621881826125
Energy: 0.4085480058522811
Energy: 0.43716243584578013
Energy: 0.40897314296124293
Energy: 0.41030903115505285
Energy: 0.43697603492025233
Energy: 0.44188740930896064
Energy: 0.3977697505530029
Energy: 0.3830184714553374
Energy: 0.4038005631307683
Energy: 0.4245473397430641
Energy: 0.4037597545125912
Energy: 0.4537212909693915
Energy: 0.4177330073487544
Energy: 0.41582532998876737
Energy: 0.4180612653599913
Energy: 0.43054120912637844
Energy: 0.41384469642600846
Energy: 0.45590570948162795
Energy: 0.3852513670065316
Energy: 0.38504020173285247
Energy: 0.4175844801361569
Energy: 0.3997074858369401
Energy: 0.38533694760661774
Energy: 0.4728519459713146
Energy: 0.399692960490274
Energy: 0.3756701784427323
Energy: 0.4228452296159472
Energy: 0.3990551511079073
Energy: 0.40826757813774006
Energy: 0.4289988413954824
Energy: 0.3820878030103646
Energy: 0.40470689534106813
Energy: 0.42868980484895947
Energy: 0.41085858394926483
Energy: 0.4100348680499676
Energy: 0.42907591216608226
Energy: 0.3902118494148715
Energy: 0.3849762210290833
Energy: 0.4298106336889213
Energy: 0.38731110679128267
Energy: 0.4085670187038679
Energy: 0.42964029531179854
Energy: 0.4046710668218524
Energy: 0.3986708718502712
Energy: 0.42981739536080915
Energy: 0.4168337866564598
Energy: 0.4070610729152584
Energy: 0.4315879080577604
Energy: 0.4062136196441452
Energy: 0.4027257517727328
Energy: 0.4243234169099474
Energy: 0.41952891982382096
Energy: 0.40717418272498995
Energy: 0.4254311611130966
Energy: 0.3883943461907938
Energy: 0.3853469603842219
Energy: 0.409761132174416
Energy: 0.3974767131798051
Energy: 0.381024085299897
Energy: 0.4204820302021368
Energy: 0.42613725955764564
Energy: 0.4236607657149114
Energy: 0.4120397588249051
Energy: 0.42875511023277685
Energy: 0.4080347425136261
Energy: 0.4320622660005834
Energy: 0.4134444252021727
Energy: 0.3973912278697744
Energy: 0.39790308670124686
Energy: 0.42935071704106537
Energy: 0.3847452068457383
Energy: 0.5951344085671291
Energy: 0.41316584928777683
Energy: 0.38492270756807867
Energy: 0.39869904947795265
Energy: 0.4120759136480733
Energy: 0.40724258493511306
Energy: 0.4868018129869444
Energy: 0.41040813621848354
Energy: 0.4083160163567721
Energy: 0.3975021753275186
Energy: 0.40781466204149225
Energy: 0.3855165090101152
Energy: 0.4329202661249861
Energy: 0.41181907570558296
Energy: 0.41197287531987986
Energy: 0.42498654388627255
Energy: 0.41361852601894056
Energy: 0.40765479302830043
Energy: 0.4299243278397224
Energy: 0.4075446308449882
Energy: 0.4183883107237837
Energy: 0.43027916525823545
Energy: 0.41726365119876185
Energy: 0.4113596314684251
Energy: 0.42946100089481026
Energy: 0.38523921596339683
Energy: 0.38292429136946754
Energy: 0.42851217853941986
Energy: 0.3943850864993475
Energy: 0.406577387542439
Energy: 0.47217597901493075
Energy: 0.3970484744034779
Energy: 0.4070084329837323
Energy: 0.4128918747734334
Energy: 0.40287195373758494
Energy: 0.3866407743137707
Energy: 0.4534244641100822
Energy: 0.40229232360509765
Energy: 0.403946463356909
Energy: 0.42462066706190793
Energy: 0.40193975142995697
Energy: 0.40931798180072065
Energy: 0.453480176910878
Energy: 0.4036823883535329
Energy: 0.40714072074252616
Energy: 0.41897517522207534
Energy: 0.41982843815374316
Energy: 0.4097492881629958
Energy: 0.453638975936664
Energy: 0.40681935686097903
Energy: 0.4044916027534316
Energy: 0.4126758637058183
Energy: 0.4170159094855589
Energy: 0.4110004739135467
Energy: 0.4732624721674133
Energy: 0.3984118039084677
Energy: 0.399647135294464
Energy: 0.40002027927653894
Energy: 0.4175231513823187
Energy: 0.3964308539661951
Energy: 0.4806453159057474
Energy: 0.39518503268428673
Energy: 0.40632702106096047
Energy: 0.3993776723457008
Energy: 0.4247606681160954
Energy: 0.38729727441619155
Energy: 0.4541005913203312
Energy: 0.39027742699883844
Energy: 0.4077685851895717
Energy: 0.40125803710421054
Energy: 0.4313122024815565
Energy: 0.41272602672874803
Energy: 0.6024731173226824
Energy: 0.3908189572141377
Energy: 0.5025728749556276
Energy: 0.4074973034741934
Energy: 0.4004092105028589
Energy: 0.40867056950341424
Energy: 0.45369372900404314
Energy: 0.3857024877673724
Energy: 0.3823782001747719
Energy: 0.4250837765312868
Energy: 0.3983865387652051
Energy: 0.40758855224413265
Energy: 0.40092266479571276
Energy: 0.38267031277733554
Energy: 0.38270130987092404
Energy: 0.40125285128311733
Energy: 0.40628873206471006
Energy: 0.4155588093909857
Energy: 0.4339623878893238
Energy: 0.3852406735932774
Energy: 0.3855291148574839
Energy: 0.4288317450079877
Energy: 0.399305352239156
Energy: 0.3830941855560438
Energy: 0.42891775045090397
Energy: 0.3983747321003725
Energy: 0.4065440051546741
Energy: 0.4289469271025382
Energy: 0.4095740697444322
Energy: 0.4084275660273263
Energy: 0.43184039051623185
Energy: 0.40422499540231865
Energy: 0.4055813327493514
Energy: 0.42169151580508857
Energy: 0.41655802219722
Energy: 0.385520392087291
Energy: 0.42070748863104496
Energy: 0.38639250253309854
Energy: 0.40618738711100566
Energy: 0.4112732690766722
Energy: 0.40583470016783196
Energy: 0.4056505486344644
Energy: 0.42394697639125184
Energy: 0.4063426407552292
Energy: 0.40524989973894054
Energy: 0.4096987519375232
Energy: 0.42898343889309376
Energy: 0.38115981038380786
Energy: 0.4494413122869836
Energy: 0.4133111950981648
Energy: 0.4294461887626707
Energy: 0.4086742343908225
Energy: 0.430659938302497
Energy: 0.3854231601841923
Energy: 0.449699908156293
Energy: 0.4288435210122838
Energy: 0.40616299645942766
Energy: 0.40634103346253303
Energy: 0.42834735678802427
Energy: 0.38476475764853074
Energy: 0.44641979188010106
Energy: 0.39914484726663635
Energy: 0.40969339177756164
Energy: 0.40917969315241864
Energy: 0.42316985518756456
Energy: 0.4080204043933494
Energy: 0.4480825510807479
Energy: 0.4123879521661234
Energy: 0.40342567532232676
Energy: 0.4199684809490257
Energy: 0.4136990156994947
Energy: 0.38945531494405194
Energy: 0.4306578170580083
Energy: 0.4182018732969174
Energy: 0.42202160248743725
Energy: 0.430693288524503
Energy: 0.41571232893478793
Energy: 0.39087947374490367
Energy: 0.4297118444795532
Energy: 0.40295323164388525
Energy: 0.4031513540600789
Energy: 0.42879166557814363
Energy: 0.4025660714089497
Energy: 0.4105589679991636
Energy: 0.4539380421315785
Energy: 0.3865491253566773
Energy: 0.3855722862882265
Energy: 0.4521294992510618
Energy: 0.40905917455256485
Energy: 0.4318760411699878
Energy: 0.4537435972988643
Energy: 0.40258822546162726
Energy: 0.40313509141072
Energy: 0.4243202141299857
Energy: 0.40306497365600535
Energy: 0.40353871101297173
Energy: 0.45145047879129846
Energy: 0.41231636985509934
Energy: 0.40734180709780193
Energy: 0.4176780878109388
Energy: 0.40392680157073385
Energy: 0.40599288855535953
Energy: 0.45359046961462335
Energy: 0.42068049089736603
Energy: 0.40831284862999917
Energy: 0.408998707608514
Energy: 0.4205838838596453
Energy: 0.40509645311143827
Energy: 0.4711148266503676
Energy: 0.39516364711343466
Energy: 0.4094777555777413
Energy: 0.40486997963721966
Energy: 0.4258706359957833
Energy: 0.38721907993426846

minimum gb energy = 0.3756701784427323 eV
minimum distance =  2.69156156743434 Angstroms
sigma value = 57


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

Energy: 0.1961908422873898
Energy: 0.2065599229826994
Energy: 0.22000471019113507
Energy: 0.19747723766326267
Energy: 0.22435588421087224
Energy: 0.19776689626350255
Energy: 0.19705768684391006
Energy: 0.21019369874102095
Energy: 0.2146342368031881
Energy: 0.22074556654442695
Energy: 0.22477336562419672
Energy: 0.2148084443010214
Energy: 0.2467437276012249
Energy: 0.22872607361585717
Energy: 0.21162371642785777
Energy: 0.22272456923661865
Energy: 0.22282845591233819
Energy: 0.21504484818327854
Energy: 0.24672318263775564
Energy: 0.22752781172713926
Energy: 0.21115040115488595
Energy: 0.22640477751773327
Energy: 0.22496478820565677
Energy: 0.21272986274419947
Energy: 0.24421923296633413
Energy: 0.20065312306794583
Energy: 0.21057523839920703
Energy: 0.226703478225206
Energy: 0.19773264189947895
Energy: 0.2216664566149546
Energy: 0.22240407130499895
Energy: 0.1983552764293798
Energy: 0.19889638799010473
Energy: 0.20851588011911104
Energy: 0.20106284831061486
Energy: 0.21050877302029297
Energy: 0.21915725385348978
Energy: 0.2102226108792812
Energy: 0.21485625458889054
Energy: 0.22001407827648387
Energy: 0.20745826899530254
Energy: 0.21585447325296134
Energy: 0.22238771549009295
Energy: 0.21222522558418067
Energy: 0.22635405564879374
Energy: 0.22242372060988905
Energy: 0.20952158206231233
Energy: 0.2114350565974539
Energy: 0.24395039145504113
Energy: 0.21058989272601028
Energy: 0.21706263323847477
Energy: 0.22289434158196814
Energy: 0.22255147451648088
Energy: 0.21222757253644497
Energy: 0.20049474268763015
Energy: 0.21810155995036118
Energy: 0.19968850215956171
Energy: 0.2012945122503783
Energy: 0.2224473438115738
Energy: 0.21018448404455928
Energy: 0.19689162918777284
Energy: 0.21077778309807618
Energy: 0.21821451618895432
Energy: 0.1972621826781795
Energy: 0.20780008434423217
Energy: 0.19929954199131908
Energy: 0.24530945595831255
Energy: 0.22663824096166313
Energy: 0.21559608970448063
Energy: 0.22127024669195616
Energy: 0.22205326112379328
Energy: 0.2156474150899206
Energy: 0.24646823226968756
Energy: 0.24982353397414972
Energy: 0.22828031730018727
Energy: 0.2100426995282557
Energy: 0.24691247311385628
Energy: 0.22725093873923075
Energy: 0.24453164106624145
Energy: 0.225803292423283
Energy: 0.21760955568336884
Energy: 0.22222007731770507
Energy: 0.22196830466372797
Energy: 0.22120508991713395
Energy: 0.246910623358827
Energy: 0.20343427243538018
Energy: 0.19795992188214942
Energy: 0.22348696989644354
Energy: 0.19916880500362172
Energy: 0.19798215220697182
Energy: 0.22089554549872467
Energy: 0.21241161030697764
Energy: 0.21508768448196822
Energy: 0.22171615148434135
Energy: 0.19739653138096336
Energy: 0.21758566996300852
Energy: 0.2224306797736636
Energy: 0.20502672990460283
Energy: 0.22000626452624725
Energy: 0.22276671592362315
Energy: 0.22430561886244585
Energy: 0.21329839923484126
Energy: 0.24754180469437956
Energy: 0.21154422695803538
Energy: 0.22552774343117996
Energy: 0.24812437835506151
Energy: 0.20990442802034479
Energy: 0.21132588981710487
Energy: 0.19693444288786585
Energy: 0.2108582142993141
Energy: 0.21862752237301175
Energy: 0.19739755455727317
Energy: 0.2102372622557462
Energy: 0.22159103034590016

minimum gb energy = 0.1961908422873898 eV
minimum distance =  2.73934041491275 Angstroms
sigma value = 11


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

Energy: 0.7927997973187936
Energy: 0.3380362109986481
Energy: 0.40117312539175937
Energy: 0.35664808915537577
Energy: 0.3287358169650771
Energy: 0.3979394209977527
Energy: 0.33782632583727884
Energy: 0.3284896531326382
Energy: 0.33034517043044276
Energy: 0.3249977680823779
Energy: 0.325942488444652
Energy: 0.32372998641993955
Energy: 0.3280545524385587
Energy: 0.33363661063177846
Energy: 0.3287594717008079
Energy: 0.3277827698730011
Energy: 0.3333309265559818
Energy: 0.32496115186661934
Energy: 0.32872857117194476
Energy: 0.33976941211358885
Energy: 0.32335954827631286
Energy: 0.3286151829745862
Energy: 0.3260447777340876
Energy: 0.3293191903797142
Energy: 0.32645280735557586
Energy: 0.3901491197811492
Energy: 0.36247920803367484
Energy: 0.33642707817601064
Energy: 0.3255841902770663
Energy: 0.32979590297730016
Energy: 0.34991911150080535
Energy: 0.364791415917405
Energy: 0.36822590583989706
Energy: 0.3339974242537649
Energy: 0.3412081153883925
Energy: 0.3635932120214041
Energy: 0.3535896198804599
Energy: 0.32821823256483307
Energy: 0.3315441347356163
Energy: 0.3250663280143218
Energy: 0.33348931424892414
Energy: 0.3257450659303365
Energy: 0.3352767659168396
Energy: 0.3384589905186788
Energy: 0.3377361364728277
Energy: 0.33630960857772013
Energy: 0.33796339301927353
Energy: 0.3388424871865293
Energy: 0.3533375564457938
Energy: 0.3303424481436181
Energy: 0.32366234996260573
Energy: 0.3386872263745278
Energy: 0.3253853005692251
Energy: 0.32407655510467914
Energy: 0.467936202497547
Energy: 0.35479959047984405
Energy: 0.3634591845377573
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Energy: 0.368409745431618
Energy: 0.36739491094219134
Energy: 0.3720525952437407
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Energy: 0.35539290305420634
Energy: 0.327001708236547
Energy: 0.3628857063642386
Energy: 0.389954169213747
Energy: 0.41965479362435565
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Energy: 0.32415590341011763
Energy: 0.40991983184511754
Energy: 0.31725107025789007
Energy: 0.3249631094513432
Energy: 0.3989108705259817
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Energy: 0.31160824969046186
Energy: 0.34127808469553517
Energy: 0.31889331580602576
Energy: 0.3283875467461534
Energy: 0.39897563680386194
Energy: 0.38919518625902
Energy: 0.38801445698450937
Energy: 0.33317753054118676
Energy: 0.3927561190205127
Energy: 0.38780390640570683
Energy: 0.40145220214361926
Energy: 0.33212203756712444
Energy: 0.35386779709800953
Energy: 0.3739467187370566
Energy: 0.3300848949477639
Energy: 0.3327391803986231
Energy: 0.5043096801010685
Energy: 0.38969641784909254
Energy: 0.3880855937562455
Energy: 0.3543971568819837
Energy: 0.39328723822321393
Energy: 0.38837705393294625
Energy: 0.5506655204641406
Energy: 0.36433271214574864
Energy: 0.326314819998513
Energy: 0.4673021864458402
Energy: 0.37956677247131715
Energy: 0.3264625031042009
Energy: 0.3785753375513318
Energy: 0.35505586643201165
Energy: 0.3893456563233679
Energy: 0.3427977882468453
Energy: 0.3631145673687729
Energy: 0.388682146711405
Energy: 0.3763162914864086
Energy: 0.3287264408999116
Energy: 0.3686464361414038
Energy: 0.3342420736596427
Energy: 0.33488331294273294
Energy: 0.3671573267036029
Energy: 0.4469422468151873
Energy: 0.4121329260397699
Energy: 0.3346157853721417
Energy: 0.42498613745585684
Energy: 0.33702432941352467
Energy: 0.33218571876369246
Energy: 0.5044700167695823
Energy: 0.3646107899792099
Energy: 0.3574409706335621
Energy: 0.3696973825357091
Energy: 0.3898491856548115
Energy: 0.35600098490613863
Energy: 0.460798531342588
Energy: 0.35397708330114125
Energy: 0.347420201592553
Energy: 0.46877990692506216
Energy: 0.3407117521117212
Energy: 0.39316824009540247
Energy: 0.3247723470021254
Energy: 0.3654137844636953
Energy: 0.3580278702127757
Energy: 0.32514232491133443
Energy: 0.36334184285258025
Energy: 0.35657149029728946
Energy: 0.3237691059984158
Energy: 0.32855290462474734
Energy: 0.32527770358500635
Energy: 0.32379092950496013
Energy: 0.32887254886204254
Energy: 0.3293734832006789
Energy: 0.39053815081067517
Energy: 0.32831048816501146
Energy: 0.3302343329384563
Energy: 0.32861330444484327
Energy: 0.3273410793433142
Energy: 0.32792819150560015
Energy: 0.3725449687865927
Energy: 0.3257646808922311
Energy: 0.32876922195516795
Energy: 0.32308224427653515
Energy: 0.32459796805562974
Energy: 0.36395922576049905

minimum gb energy = 0.31160824969046186 eV
minimum distance =  2.67545058891927 Angstroms
sigma value = 41


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

Energy: 0.7399850597978328
Energy: 0.37915550334325493
Energy: 0.34862139492816513
Energy: 0.4115822322642911
Energy: 0.38414964930770723
Energy: 0.41183941704225474
Energy: 0.3641830544475106
Energy: 0.354448325209864
Energy: 0.34650132726929744
Energy: 0.34940548982970454
Energy: 0.3484156828080791
Energy: 0.3464391709644435
Energy: 0.34820097600527244
Energy: 0.34672791331214525
Energy: 0.3460512365887755
Energy: 0.3494368455780417
Energy: 0.34962073934204413
Energy: 0.3461342905009897
Energy: 0.34898504356993687
Energy: 0.3452513316404969
Energy: 0.34736581772089786
Energy: 0.3489209329854556
Energy: 0.34969000809801604
Energy: 0.3491201960423743
Energy: 0.34763002874941185
Energy: 0.3469145881602239
Energy: 0.34600202823578935
Energy: 0.35911372446607087
Energy: 0.3500017571521409
Energy: 0.3470601256751186
Energy: 0.39284467166318815
Energy: 0.34785116727402465
Energy: 0.347630580831727
Energy: 0.36228451625556424
Energy: 0.3517623847906985
Energy: 0.35327302456849524
Energy: 0.39163102249344756
Energy: 0.34954319720746935
Energy: 0.3483194740796784
Energy: 0.3492359879000678
Energy: 0.3602590018697946
Energy: 0.34821536688003657
Energy: 0.36327462010353156
Energy: 0.3731332121615702
Energy: 0.37201565482315363
Energy: 0.3310649313869575
Energy: 0.3757288975465571
Energy: 0.3479292442896651
Energy: 0.39245776941742083
Energy: 0.3481009336195709
Energy: 0.3470545762320301
Energy: 0.36179797690762927
Energy: 0.34949263374157286
Energy: 0.34663940758249795
Energy: 0.5243222316489814
Energy: 0.3524485268319737
Energy: 0.3469656046165592
Energy: 0.45272428566123185
Energy: 0.36408773077461515
Energy: 0.34790260261494194
Energy: 0.39269861181351423
Energy: 0.3524427557385111
Energy: 0.34662171828425425
Energy: 0.35090711473143316
Energy: 0.36096555548501036
Energy: 0.345592844452637
Energy: 0.40299770618055664
Energy: 0.3328033855601099
Energy: 0.33190973976801463
Energy: 0.36322522661272716
Energy: 0.3329631324709316
Energy: 0.34683081514263314
Energy: 0.35031976530415965
Energy: 0.33171454370770137
Energy: 0.33162468228721137
Energy: 0.3635308470843017
Energy: 0.3326399027035079
Energy: 0.33110978204541835
Energy: 0.35105847151182973
Energy: 0.35164309565519436
Energy: 0.3466929172977374
Energy: 0.35038742629047714
Energy: 0.3608306076554083
Energy: 0.3471800469520551
Energy: 0.3760355745730742
Energy: 0.3645450582694436
Energy: 0.36634921998530917
Energy: 0.37612865248161775
Energy: 0.34731137153154423
Energy: 0.3724442161778468
Energy: 0.3486217351573378
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Energy: 0.34771258481725903
Energy: 0.36038739411926884
Energy: 0.3490761765719781
Energy: 0.3479283733137898
Energy: 0.6840866790131536
Energy: 0.34874184936216057
Energy: 0.3319522782746818
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Energy: 0.36240289711114687
Energy: 0.362429322143024
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Energy: 0.3504259331241639
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Energy: 0.35008708360296353
Energy: 0.360203803967847
Energy: 0.33266996435599805
Energy: 0.34958770354155577
Energy: 0.3506170071626237
Energy: 0.3479531231637893
Energy: 0.34954954691503176
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Energy: 0.3473627012007047
Energy: 0.3458065519704322
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Energy: 0.3490453616336655
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Energy: 0.3470340988805795
Energy: 0.3481239865191739
Energy: 0.3473036797580726
Energy: 0.34643400053519446
Energy: 0.34893012788213956
Energy: 0.348886658501028
Energy: 0.34638746828990563
Energy: 0.3675445094412497
Energy: 0.36212235058673276
Energy: 0.38385093052296454
Energy: 0.4139463953385661
Energy: 0.34670555315314067
Energy: 0.39186077059398533
Energy: 0.3921851217385267
Energy: 0.34807765081107717
Energy: 0.3477101205858657
Energy: 0.36039769732031735
Energy: 0.34904896090360443
Energy: 0.347499455112702
Energy: 0.3632334977383805
Energy: 0.3752131170935898
Energy: 0.35051919068837767
Energy: 0.3584892505401931
Energy: 0.37728917658185607
Energy: 0.34975387126302937
Energy: 0.39193161623998213
Energy: 0.34929932393141777
Energy: 0.3478669668257927
Energy: 0.36057310895811795
Energy: 0.3497720209968719
Energy: 0.34841061418380004
Energy: 0.5249481845725288
Energy: 0.35208209044727523
Energy: 0.3480929997879055
Energy: 0.3516114793622181
Energy: 0.3611910627585763
Energy: 0.3461389997620055
Energy: 0.524966623789837
Energy: 0.35244805628642517
Energy: 0.34711834782796375
Energy: 0.35057808067172125
Energy: 0.3645400629500427
Energy: 0.35011166811699473
Energy: 0.39297331179044576
Energy: 0.35895560229941437
Energy: 0.35726930404597673
Energy: 0.36076976370126984
Energy: 0.34396943872001445
Energy: 0.35553241794647594
Energy: 0.3508304250206897
Energy: 0.3314833246181105
Energy: 0.3312142099066263
Energy: 0.3660875001037378
Energy: 0.33136161437568684
Energy: 0.3603173424343938
Energy: 0.35017860748076224
Energy: 0.35289578798895627
Energy: 0.3513749938971971
Energy: 0.34821133007987315
Energy: 0.3527780847376755
Energy: 0.3516501336893401
Energy: 0.34977734641633423
Energy: 0.34661549440377776
Energy: 0.3452765878870128
Energy: 0.3499135963741328
Energy: 0.3470190923784069
Energy: 0.34773993372226025
Energy: 0.34922180932308583
Energy: 0.3500411926699881
Energy: 0.3461780241931862
Energy: 0.3517812373145568
Energy: 0.3500010646838042
Energy: 0.34779950509166563
Energy: 0.6841904820795767
Energy: 0.3494364768831005
Energy: 0.3335487722267063
Energy: 0.3338652467681808
Energy: 0.3458563692261871
Energy: 0.33260801631619935

minimum gb energy = 0.3310649313869575 eV
minimum distance =  2.69558855757364 Angstroms
sigma value = 33


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

Energy: 0.4751360712109808
Energy: 0.4513581774080243
Energy: 0.382487603575246
Energy: 0.3774739896716307
Energy: 0.45179698506615296
Energy: 0.38133889809242444
Energy: 0.4080092068409576
Energy: 0.3729327736063864
Energy: 0.37220608826007495
Energy: 0.38378965119482594
Energy: 0.3826318546203673
Energy: 0.3734161415298209
Energy: 0.3854650424346414
Energy: 0.37382559252458997
Energy: 0.373897385883183
Energy: 0.3741024363676218
Energy: 0.37381478707796006
Energy: 0.3810050223180576
Energy: 0.38668668588335736
Energy: 0.37585822994523344
Energy: 0.3779562954896084
Energy: 0.37383548386702936
Energy: 0.37753476761664884
Energy: 0.3778520961484773
Energy: 0.3846731498248811
Energy: 0.3780654856031419
Energy: 0.3627665712215057
Energy: 0.3851502031255765
Energy: 0.3889903285560888
Energy: 0.36353632564672417
Energy: 0.4098445353941194
Energy: 0.3770321680910534
Energy: 0.3779942114674347
Energy: 0.3626589331158929
Energy: 0.37684619253596835
Energy: 0.3789516664797814
Energy: 0.41092643907141624
Energy: 0.38613049727625104
Energy: 0.38670944583317945
Energy: 0.38323838338850036
Energy: 0.3987024663522684
Energy: 0.3774422681305645
Energy: 0.4043813406440379
Energy: 0.39488873878367026
Energy: 0.377617899975378
Energy: 0.36209876075104885
Energy: 0.3940726311673358
Energy: 0.3783832822549834
Energy: 0.41036236994105835
Energy: 0.3627189919399596
Energy: 0.36311196503585697
Energy: 0.3983390262705058
Energy: 0.3646824559772797
Energy: 0.36542688229512327
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Energy: 0.3735633567029889
Energy: 0.3805387579706599
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Energy: 0.3618858656100918
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Energy: 0.36312656335799504
Energy: 0.3636201004983763
Energy: 0.36551370303155845
Energy: 0.36390927204724005
Energy: 0.3648340450321869
Energy: 0.3630124759246148
Energy: 0.4143150073574287
Energy: 0.38015453884801054
Energy: 0.3924071446273142
Energy: 0.41404546252077634
Energy: 0.3813466682192478
Energy: 0.393336629912198
Energy: 0.38709713753341135
Energy: 0.3736924646549382
Energy: 0.3754777573573886
Energy: 0.37729667622931523
Energy: 0.3829594293417868
Energy: 0.37610820216100066
Energy: 0.6340629154701533
Energy: 0.36502189095524895
Energy: 0.36217169925046955
Energy: 0.36272302232607123
Energy: 0.3700624030374863
Energy: 0.3621513693515538

minimum gb energy = 0.3617554614630567 eV
minimum distance =  2.70123335606974 Angstroms
sigma value = 67


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

Energy: 0.5623459085365723
Energy: 0.406749562851108
Energy: 0.4070715001701081
Energy: 0.40798859180631564
Energy: 0.42314227015753547
Energy: 0.4090444412263324
Energy: 0.44386670033638537
Energy: 0.394740935556295
Energy: 0.39484024345935237
Energy: 0.39451089342727885
Energy: 0.39558496983634034
Energy: 0.3944576937910993
Energy: 0.4147104890079694
Energy: 0.3827383996558359
Energy: 0.3955366989560884
Energy: 0.39588313431011946
Energy: 0.38101699295213726
Energy: 0.39537790778686477
Energy: 0.41492589105644306
Energy: 0.39549212073342516
Energy: 0.39536571295341044
Energy: 0.39398851376372823
Energy: 0.39542730300412493
Energy: 0.3953854459510037
Energy: 0.4178460582624948
Energy: 0.39531792416047723
Energy: 0.39626142001473413
Energy: 0.4179697455224665
Energy: 0.39523245439464505
Energy: 0.3966069028778081
Energy: 0.4188135337460952
Energy: 0.397382463643373
Energy: 0.3973714021052571
Energy: 0.4191457239906457
Energy: 0.3975120654900594
Energy: 0.397651079382155
Energy: 0.44378438298005396
Energy: 0.39549604101262226
Energy: 0.3945908697457506
Energy: 0.37810912833644506
Energy: 0.39516958248967476
Energy: 0.39438966015391064

minimum gb energy = 0.37810912833644506 eV
minimum distance =  2.74430196748939 Angstroms
sigma value = 3


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

Energy: 0.6317219923966757
Energy: 0.4606607553173171
Energy: 0.4606665465775559
Energy: 0.5016016935128433
Energy: 0.5282506515231128
Energy: 0.45722374893666345
Energy: 0.4540604881623404
Energy: 0.4637586556224077
Energy: 0.46141212380003616
Energy: 0.4761207211645323
Energy: 0.4704246791664033
Energy: 0.45789327578584416
Energy: 0.47809247245786524
Energy: 0.4560670100214913
Energy: 0.45615648176634027
Energy: 0.4779494243556248
Energy: 0.45616328936045786
Energy: 0.4534538409942685
Energy: 0.45176182033395573
Energy: 0.4551503948570049
Energy: 0.4532221523323889
Energy: 0.4523556656874124
Energy: 0.4555334139402142
Energy: 0.4531021105494713
Energy: 0.4596403109598213
Energy: 0.45688634028771796
Energy: 0.45680424929382174
Energy: 0.4600181094050138
Energy: 0.4598256989689244
Energy: 0.452182504207102
Energy: 0.4512052778113035
Energy: 0.4553394932485661
Energy: 0.4546477285199341
Energy: 0.451348604637287
Energy: 0.4591759009372001
Energy: 0.4524287290500113
Energy: 0.45250296528471634
Energy: 0.4669681669720309
Energy: 0.46507887077656757
Energy: 0.4535244800176206
Energy: 0.45821117727814425
Energy: 0.4612409731169143
Energy: 0.589572651593163
Energy: 0.47671351413697166
Energy: 0.4765577997929794
Energy: 0.47677431943745846
Energy: 0.477767834293539
Energy: 0.47868907285727064
Energy: 0.45388667750382394
Energy: 0.45623458329490024
Energy: 0.45916404551432227
Energy: 0.4587282252717021
Energy: 0.45950981927516177
Energy: 0.4658669675625614
Energy: 0.4521059234071295
Energy: 0.4494611283138374
Energy: 0.450276871737282
Energy: 0.49039477230965967
Energy: 0.4484996751694415
Energy: 0.4732333100794033
Energy: 0.49299864613744615
Energy: 0.45230572302725536
Energy: 0.4539882337977501
Energy: 0.46100237648776005
Energy: 0.4483937908203054
Energy: 0.4716459038714048
Energy: 0.45404643012983875
Energy: 0.46181943737851155
Energy: 0.46085231633692747
Energy: 0.45638397938246195
Energy: 0.4570923785175118
Energy: 0.45026042345184825
Energy: 0.46596619369596315
Energy: 0.4499432497478638
Energy: 0.4504794996733689
Energy: 0.4485177240899599
Energy: 0.4499917940714334
Energy: 0.4501668977741788
Energy: 0.48821465720562424
Energy: 0.45334626534549943
Energy: 0.4522783244826615
Energy: 0.4607314399574308
Energy: 0.4510505309227433
Energy: 0.4503307840428501
Energy: 0.5164348141845854
Energy: 0.4551159320141714
Energy: 0.5003181499224664
Energy: 0.4550858110592034
Energy: 0.47864371294383046
Energy: 0.4526102967082964
Energy: 0.47535841155115055
Energy: 0.4612492758445503
Energy: 0.465707086911549
Energy: 0.48341392285648754
Energy: 0.4602928486865996
Energy: 0.4590894853098702
Energy: 0.533466676941356
Energy: 0.455910229233756
Energy: 0.458120035182881
Energy: 0.472324376424455
Energy: 0.4563356912830329
Energy: 0.4634488627387228
Energy: 0.4643401201177801
Energy: 0.45803344154391856
Energy: 0.46507318585730334
Energy: 0.46370102604069113
Energy: 0.45615495739996054
Energy: 0.4704716946545627
Energy: 0.46386374360336824
Energy: 0.45304606074368386
Energy: 0.45118121058519023
Energy: 0.45121491996172414
Energy: 0.4925586122615904
Energy: 0.4522127274821425
Energy: 0.5088136571416525
Energy: 0.45373290899968266
Energy: 0.45376084945534334
Energy: 0.45534859837954805
Energy: 0.4559759846893156
Energy: 0.4501769872112956
Energy: 0.4735590172262193
Energy: 0.46432871489309663
Energy: 0.46707308735160596
Energy: 0.4549389482634578
Energy: 0.4652105025671863
Energy: 0.46717460328313226
Energy: 0.46045178936308495
Energy: 0.46252158299033125
Energy: 0.45861954112557285
Energy: 0.460391903719031
Energy: 0.46814735630101034
Energy: 0.4583589226757094
Energy: 0.46502783799835057
Energy: 0.4610874985967639
Energy: 0.461607624221366
Energy: 0.46574227104884636
Energy: 0.46539644342538844
Energy: 0.4608851317620997
Energy: 0.4622987988165075
Energy: 0.45122455701996517
Energy: 0.45090376521133385
Energy: 0.46275232160673047
Energy: 0.44991527882768123
Energy: 0.46115344785597656
Energy: 0.4598221357348082
Energy: 0.45832304769757687
Energy: 0.45557792961056753
Energy: 0.45641612907342516
Energy: 0.462786825305659
Energy: 0.4561286058022358
Energy: 0.6218955002455424
Energy: 0.4878851453390442
Energy: 0.4880396671071343
Energy: 0.45913264744904925
Energy: 0.45337262403347833
Energy: 0.45861061353387705
Energy: 0.44227901188189656
Energy: 0.47316972368724136
Energy: 0.46705108494305675
Energy: 0.4423345953737857
Energy: 0.4682437788503802
Energy: 0.4572197289722778
Energy: 0.4615584745361542
Energy: 0.4578867989119963
Energy: 0.4546558328164489
Energy: 0.4753710427968113
Energy: 0.47175119693689443
Energy: 0.4559312779685157
Energy: 0.4684004826627633
Energy: 0.45621525293782494
Energy: 0.4561543107501428
Energy: 0.4694419417772956
Energy: 0.45643314917573374
Energy: 0.4588795167022018
Energy: 0.4593482227119257
Energy: 0.4645164045634028
Energy: 0.4604492417737073
Energy: 0.4601427595311764
Energy: 0.47176270133706705
Energy: 0.4656486768284706
Energy: 0.45940149798724267
Energy: 0.4606275656227295
Energy: 0.46026682608724173
Energy: 0.4587662158207393
Energy: 0.4624286585143678
Energy: 0.46274394769498295
Energy: 0.4644489661271583
Energy: 0.4602488044276247
Energy: 0.46138287594539573
Energy: 0.4585261478680622
Energy: 0.46060962180953124
Energy: 0.4665719266762293
Energy: 0.5719595726621961
Energy: 0.4679933635800478
Energy: 0.46507612578270363
Energy: 0.4489059916774863
Energy: 0.4581246435685317
Energy: 0.45706388697166267
Energy: 0.4495717160649554
Energy: 0.44982134956418807
Energy: 0.4705899136768733
Energy: 0.4543232260345339
Energy: 0.451770969466929
Energy: 0.44977567114807165
Energy: 0.46310467518911347
Energy: 0.4635953307214112
Energy: 0.471476777808158
Energy: 0.45609704548817237
Energy: 0.44882900083285204
Energy: 0.47115507149717994
Energy: 0.4816135049813733
Energy: 0.44934754034066426
Energy: 0.4501807610548332
Energy: 0.4804000659822381
Energy: 0.4486741018960546
Energy: 0.454722107251976
Energy: 0.48189933604874585
Energy: 0.466633893055723
Energy: 0.46917335985653763
Energy: 0.46051477126165624
Energy: 0.4651107894894881
Energy: 0.4690611924347751
Energy: 0.46655683512048424
Energy: 0.45096580781736983
Energy: 0.4506526055506298
Energy: 0.44833717104170545
Energy: 0.4511598849068495
Energy: 0.45016155178811845
Energy: 0.49319334383806845
Energy: 0.45645969714532797
Energy: 0.4581808849265822
Energy: 0.46569053724115533
Energy: 0.4540043639286522
Energy: 0.45495898896261894
Energy: 0.48726139907413146
Energy: 0.4543293446888733
Energy: 0.4514601625775912
Energy: 0.4548994933257294
Energy: 0.4538828752124158
Energy: 0.4517411375983422
Energy: 0.453506641512829
Energy: 0.45231112200083134
Energy: 0.45282516399125694
Energy: 0.4701770800019277
Energy: 0.45736924827194164
Energy: 0.4510716149558314
Energy: 0.49270781812833914
Energy: 0.45712270206840006
Energy: 0.45930183091992005
Energy: 0.47312907417694633
Energy: 0.4587413542396492
Energy: 0.47742168233137555
Energy: 0.5188820431504588
Energy: 0.45608740205031223
Energy: 0.45644463587431855
Energy: 0.501217017995714
Energy: 0.4556088225680654
Energy: 0.47753487525475896
Energy: 0.45904225897229867
Energy: 0.4529752423564841
Energy: 0.4539091687049143
Energy: 0.45251231721727386
Energy: 0.4568659598479436
Energy: 0.45136120079883585
Energy: 0.5824999738056352
Energy: 0.45054355957555153
Energy: 0.4665056250129182
Energy: 0.48927093729783677
Energy: 0.4497500630612389
Energy: 0.46672922605814754
Energy: 0.4585595496704691
Energy: 0.4537626681602777
Energy: 0.4544564865259706
Energy: 0.4564803118889737
Energy: 0.45450024663400834
Energy: 0.4556504925670205
Energy: 0.45191461957026097
Energy: 0.4529615324869321
Energy: 0.45243244873890515
Energy: 0.4545014349160951
Energy: 0.4529979055987637
Energy: 0.45100027881701804
Energy: 0.46551832456853737
Energy: 0.45620348661053506
Energy: 0.4629506698707058
Energy: 0.45068730813250396
Energy: 0.451198013795184
Energy: 0.4630769536487895
Energy: 0.45063189261003456
Energy: 0.4516116339732042
Energy: 0.45410506982755966
Energy: 0.45101481687211487
Energy: 0.45314889069083325
Energy: 0.4507057902885181
Energy: 0.45497599724459514
Energy: 0.4514958613811021
Energy: 0.4505966849459161
Energy: 0.4620519098836295
Energy: 0.4512634053606951
Energy: 0.45349712257864394
Energy: 0.4538558408163407
Energy: 0.4635220171068173
Energy: 0.46381855709349595
Energy: 0.46756206406354406
Energy: 0.4528779269260576
Energy: 0.4592471569624971

minimum gb energy = 0.44227901188189656 eV
minimum distance =  2.66266373769054 Angstroms
sigma value = 81


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

Energy: 0.9047585699820715
Energy: 0.453313363853529
Energy: 0.4465597834862466
Energy: 0.44393043724035763
Energy: 0.5106520214188297
Energy: 0.4435331103789329
Energy: 0.4369122664145776
Energy: 0.4606308748633572
Energy: 0.4618086535494277
Energy: 0.46188818729791126
Energy: 0.4493165353807554
Energy: 0.4609128610148237
Energy: 0.4659895260399746
Energy: 0.4463791609237861
Energy: 0.44784293810607345
Energy: 0.48308593796935234
Energy: 0.44740513649069363
Energy: 0.4733295379246669
Energy: 0.45669713652524757
Energy: 0.45161016366726425
Energy: 0.4541776179576581
Energy: 0.4568707994412703
Energy: 0.4493100053660182
Energy: 0.45481236917405937
Energy: 0.45859410590855243
Energy: 0.4565646769983999
Energy: 0.4559432096021739
Energy: 0.45890208157395035
Energy: 0.4571244407992432
Energy: 0.45963599327450566
Energy: 0.46605427257381665
Energy: 0.4620535959839935
Energy: 0.4569823812194933
Energy: 0.45633766713751844
Energy: 0.4614113996461254
Energy: 0.459056372467
Energy: 0.4566350371894574
Energy: 0.4546693684402349
Energy: 0.4538647997011506
Energy: 0.44771491392480983
Energy: 0.4575237564326161
Energy: 0.45814248785568773
Energy: 0.5520398085237733
Energy: 0.5031789284387721
Energy: 0.502412009181041
Energy: 0.43455265297309137
Energy: 0.49809445437506145
Energy: 0.44091770136971364
Energy: 0.45217907068060975
Energy: 0.4580216524022998
Energy: 0.4413189371531029
Energy: 0.4518339463378321
Energy: 0.4425992144910376
Energy: 0.4633660602731546
Energy: 0.46630600308812686
Energy: 0.426619703127843
Energy: 0.426770416356798
Energy: 0.45365972648104963
Energy: 0.42558005222014084
Energy: 0.43411113799695794
Energy: 0.41841230815908137
Energy: 0.4346344449255874
Energy: 0.4359311713292667
Energy: 0.4519747046676378
Energy: 0.4304257364548948
Energy: 0.4459337732626835
Energy: 0.4432717053146367
Energy: 0.4523677702019979
Energy: 0.45231586870836116
Energy: 0.45064939720645025
Energy: 0.4509678519561062
Energy: 0.4558895657613871
Energy: 0.45058631707952457
Energy: 0.47322413161735344
Energy: 0.45273146037707807
Energy: 0.4520502222109353
Energy: 0.4726973396738168
Energy: 0.4460538108038224
Energy: 0.41697059370085526
Energy: 0.46630775878347785
Energy: 0.4671088983784822
Energy: 0.4554633952475972
Energy: 0.4484109709660187
Energy: 0.46884559880015264
Energy: 0.57363482398488
Energy: 0.4593388496550818
Energy: 0.4174391752069133
Energy: 0.41981806234840124
Energy: 0.47632545134533233
Energy: 0.4175020358773932
Energy: 0.41579187235668935
Energy: 0.41051398200542694
Energy: 0.4186141765291567
Energy: 0.4181251521441501
Energy: 0.4113939929984677
Energy: 0.4182816485535306
Energy: 0.5167317173474462
Energy: 0.43465727500215673
Energy: 0.4349163132604811
Energy: 0.4829441138376322
Energy: 0.44176196001540785
Energy: 0.44988046448053515
Energy: 0.410530417608804
Energy: 0.4108774075753056
Energy: 0.41869912155472555
Energy: 0.41046173914332856
Energy: 0.410944562321911
Energy: 0.4209201240113266
Energy: 0.41373031027650053
Energy: 0.41279908238327834
Energy: 0.41430885713218685
Energy: 0.41938762950107294
Energy: 0.41164481373359496
Energy: 0.4165072822982024
Energy: 0.4129259608089131
Energy: 0.41248617925215064
Energy: 0.4141287155832187
Energy: 0.4191476992710989
Energy: 0.41169072105770216
Energy: 0.4159654916768007
Energy: 0.41039831729796633
Energy: 0.41022715426054773
Energy: 0.4204125485156536
Energy: 0.410925327325615
Energy: 0.4103235179584561
Energy: 0.4208901971912937
Energy: 0.4733247776712186
Energy: 0.44702419758213924
Energy: 0.46111855439156224
Energy: 0.46764263087629004
Energy: 0.4465043327286041
Energy: 0.4606023378541545
Energy: 0.41732966451440545
Energy: 0.4284256558060518
Energy: 0.4214952160314697
Energy: 0.4179214454805251
Energy: 0.4114858662897425
Energy: 0.42588788762582447
Energy: 0.4789491099058689
Energy: 0.4741163180355798
Energy: 0.4172106932903819
Energy: 0.41464204512090075
Energy: 0.47705261039376146
Energy: 0.4167191224730435
Energy: 0.4185429662257039
Energy: 0.46891091867339746
Energy: 0.4703156793107994
Energy: 0.4557243956492469
Energy: 0.4541224606966791
Energy: 0.46943897047990985
Energy: 0.5131670764763544
Energy: 0.48939617285369996
Energy: 0.4886510498864629
Energy: 0.4450852927308234
Energy: 0.5036143427671268
Energy: 0.46019682896462966
Energy: 0.47880055471901034
Energy: 0.4525911523452754
Energy: 0.4538425834572101
Energy: 0.44908253847107754
Energy: 0.45181160322793135
Energy: 0.4569750789456923
Energy: 0.4176948799854282
Energy: 0.43791144705589174
Energy: 0.45374456273152386
Energy: 0.4557446578179717
Energy: 0.4316151372006432
Energy: 0.4463590384463126
Energy: 0.4644185583470082
Energy: 0.4253132950696253
Energy: 0.42627472578971265
Energy: 0.452018005790273
Energy: 0.4255961176953813
Energy: 0.43485951618880414
Energy: 0.45635236430490705
Energy: 0.45806239987868996
Energy: 0.459424723415541
Energy: 0.4519260675135408
Energy: 0.4429440233810451
Energy: 0.46867842554523725
Energy: 0.4503962510893628
Energy: 0.47910106142841047
Energy: 0.45201123573788665
Energy: 0.45110336386219047
Energy: 0.4781197495792273
Energy: 0.4464740579464196
Energy: 0.4578771447279067
Energy: 0.4467351653097489
Energy: 0.4549036803026332
Energy: 0.4518316936942379
Energy: 0.45170037285774567
Energy: 0.4509717443794956
Energy: 0.4670720137301987
Energy: 0.4565847314734641
Energy: 0.45684634137966157
Energy: 0.4610765188215051
Energy: 0.45497849240112387
Energy: 0.4591709429195622
Energy: 0.4620208748724912
Energy: 0.45527674225758713
Energy: 0.45605865408265667
Energy: 0.4609923814062626
Energy: 0.4572368760667665
Energy: 0.46229348568593415
Energy: 0.46258437399226415
Energy: 0.46180458413134784
Energy: 0.46227645959532193
Energy: 0.4630437934797871
Energy: 0.44547766240835884
Energy: 0.4584491778004195
Energy: 0.5232035159772978
Energy: 0.4423119083288271
Energy: 0.4347631043025617
Energy: 0.5099782642038744
Energy: 0.44243469890615394
Energy: 0.5050507609278316
Energy: 0.45698479828267874
Energy: 0.4607318990503616
Energy: 0.46143116843613663
Energy: 0.46184895736782555
Energy: 0.4492906843344148
Energy: 0.4615818130073847
Energy: 0.532196527432904
Energy: 0.4401067490453686
Energy: 0.4449578702912541
Energy: 0.4429208138516307
Energy: 0.41692126774970045
Energy: 0.4435844679306857

minimum gb energy = 0.41022715426054773 eV
minimum distance =  2.69875170715054 Angstroms
sigma value = 43


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

Energy: 0.6491971506603563
Energy: 0.4599414615741212
Energy: 0.43990411968945414
Energy: 0.44191857399640927
Energy: 0.5268417093152643
Energy: 0.43857765753016736
Energy: 0.4252674873209771
Energy: 0.44170159547045407
Energy: 0.44621967357439185
Energy: 0.46639435596559864
Energy: 0.4418933879730663
Energy: 0.43513273655084916
Energy: 0.4839960414051857
Energy: 0.42774892319187874
Energy: 0.4274118351575507
Energy: 0.4514926957881519
Energy: 0.4277561383604326
Energy: 0.43525707101693245
Energy: 0.4325793441256209
Energy: 0.42541934532918774
Energy: 0.4364969638094744
Energy: 0.43250937465872374
Energy: 0.43176906406654075
Energy: 0.43580983995826306
Energy: 0.4309738213084537
Energy: 0.4376573895761811
Energy: 0.4348487034609186
Energy: 0.4330262826810142
Energy: 0.4333871147487494
Energy: 0.4346153136460636
Energy: 0.432256102993356
Energy: 0.4349504072143708
Energy: 0.4334416882130116
Energy: 0.43538138441366436
Energy: 0.43524866226649445
Energy: 0.4335785887125344
Energy: 0.43334980096654624
Energy: 0.4368033120267114
Energy: 0.4328377736825754
Energy: 0.4367082090037636
Energy: 0.4317456102254316
Energy: 0.43479938958150116
Energy: 0.4861789169843015
Energy: 0.43024352300761237
Energy: 0.43028385211842524
Energy: 0.4365289941314059
Energy: 0.4300954435129425
Energy: 0.4319971584384939
Energy: 0.4326951646568158
Energy: 0.4302042890017065
Energy: 0.4316905056990541
Energy: 0.43350447875834275
Energy: 0.4306570883115317
Energy: 0.4346166906957324
Energy: 0.4319007530782693
Energy: 0.43722067267334846
Energy: 0.437201212266865
Energy: 0.4460101724176665
Energy: 0.4500175819282078
Energy: 0.4368051470532742
Energy: 0.43709961237579453
Energy: 0.44502908572734323
Energy: 0.45217986396942816
Energy: 0.43245724114265566
Energy: 0.43366839131326124
Energy: 0.4466486019209501
Energy: 0.43976966626113295
Energy: 0.43229870064917203
Energy: 0.43547156134109527
Energy: 0.4338056940023956
Energy: 0.43176902273461853
Energy: 0.43500777872357305
Energy: 0.4399597211871092
Energy: 0.43400611044556014
Energy: 0.4414585086066035
Energy: 0.42986171209741864
Energy: 0.4333493524898376
Energy: 0.4413295126901864
Energy: 0.43691847431176145
Energy: 0.4339963374622879
Energy: 0.4367077331842927
Energy: 0.4355092768649718
Energy: 0.4328741799953983
Energy: 0.44143923737298396
Energy: 0.43704463708736285
Energy: 0.43947695694683725
Energy: 0.4396025204940606
Energy: 0.4412731382582256
Energy: 0.4308228605069899
Energy: 0.4388564786904937
Energy: 0.4372655237220897
Energy: 0.4376283737292659
Energy: 0.4413821015666193
Energy: 0.4372314015812792
Energy: 0.4342621326239925
Energy: 0.4420084080226235
Energy: 0.4374232851345215
Energy: 0.452728490293795
Energy: 0.45273030937367387
Energy: 0.43758607833396923
Energy: 0.43924488240560533
Energy: 0.43711080165659194
Energy: 0.4367657547123739
Energy: 0.447384861004557
Energy: 0.4522732490021708
Energy: 0.44476637865411756
Energy: 0.4448711061743894
Energy: 0.44382129869783676
Energy: 0.4345960974068624
Energy: 0.43683935008919306
Energy: 0.4438743155851906
Energy: 0.43596126728661555
Energy: 0.43679816540824773
Energy: 0.4380161888171433
Energy: 0.4341209289034699
Energy: 0.4370402509085868
Energy: 0.44367020393270407
Energy: 0.43740187892754245
Energy: 0.43709687770789774
Energy: 0.43555471514300254
Energy: 0.43640750126367583
Energy: 0.448565184377254
Energy: 0.4476707691223572
Energy: 0.45078267581384973
Energy: 0.4411629999521078
Energy: 0.444576897723074
Energy: 0.4934101246603739
Energy: 0.4423251364323133
Energy: 0.4394989527682978
Energy: 0.47609762271108763
Energy: 0.4267824859383324
Energy: 0.4838899452167223
Energy: 0.44765380143320355
Energy: 0.44833834126136274
Energy: 0.4483655745927047
Energy: 0.4453252006921711
Energy: 0.4450976393483017
Energy: 0.4506305355714749
Energy: 0.47361666838144045
Energy: 0.43710298244111107
Energy: 0.4368564026303558
Energy: 0.45576352054488706
Energy: 0.438456424363247
Energy: 0.4430441304685221
Energy: 0.48749859902462217
Energy: 0.43673158516860716
Energy: 0.437223889947406
Energy: 0.44158954085635804
Energy: 0.43671565118593164
Energy: 0.44328333629268135
Energy: 0.46982667900242997
Energy: 0.44239702912367923
Energy: 0.44028582442227276
Energy: 0.44464656138730657
Energy: 0.43807109596538313
Energy: 0.4397235705432668
Energy: 0.46950297887343523
Energy: 0.44259378979379715
Energy: 0.4444257173212461
Energy: 0.4356783805859626
Energy: 0.44216383140051174
Energy: 0.44413909032103316
Energy: 0.47060285799050205
Energy: 0.43835907780519257
Energy: 0.43700857170644775
Energy: 0.4314849452853549
Energy: 0.4356016603868579
Energy: 0.43605770766554847
Energy: 0.4286442427697049
Energy: 0.4351531126981887
Energy: 0.43410763027154536
Energy: 0.42860036239554966
Energy: 0.43628525928908596
Energy: 0.43301313948915887
Energy: 0.433114885619661
Energy: 0.43824996190894133
Energy: 0.43723578572464683
Energy: 0.42951352942231164
Energy: 0.43295035216769195
Energy: 0.4337881518788564
Energy: 0.43040389993074785
Energy: 0.4590723324022596
Energy: 0.44742972140751164
Energy: 0.44238465790704395
Energy: 0.46360427602394333
Energy: 0.4273986302621437

minimum gb energy = 0.4252674873209771 eV
minimum distance =  2.67805118152078 Angstroms
sigma value = 57


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

Energy: 0.6157579642566752
Energy: 0.4460594352595764
Energy: 0.44614909836475103
Energy: 0.42067958694651036
Energy: 0.4989309446334252
Energy: 0.4465902727413684
Energy: 0.42019824124794447
Energy: 0.4400469506730538
Energy: 0.43124793767002045
Energy: 0.45241053390231684
Energy: 0.4510047632656581
Energy: 0.4320936544736231
Energy: 0.45634917234086986
Energy: 0.41448285182868844
Energy: 0.41252303677709456
Energy: 0.4417126565244749
Energy: 0.41365375744469834
Energy: 0.4136189473309686
Energy: 0.442278928729785
Energy: 0.4117289066372184
Energy: 0.4123227208547739
Energy: 0.44251417532733134
Energy: 0.4119603771800307
Energy: 0.43364165549062295
Energy: 0.44919704690258494
Energy: 0.42814855698043164
Energy: 0.4281167015104583
Energy: 0.4352921826748506
Energy: 0.431677291927483
Energy: 0.435031439181247
Energy: 0.41291012574217006
Energy: 0.4306401693086164
Energy: 0.4271608024695063
Energy: 0.43413646394641847
Energy: 0.4296453930386843
Energy: 0.42836476923100664
Energy: 0.4514476218687835
Energy: 0.43360233510452123
Energy: 0.43325898748561426
Energy: 0.4352114781512537
Energy: 0.44482359953582146
Energy: 0.4315086544138419
Energy: 0.45398957736381385
Energy: 0.4347522258319118
Energy: 0.4267587593570251
Energy: 0.4309887179420752
Energy: 0.4370627686709007
Energy: 0.4384276559853335
Energy: 0.4509932535611879
Energy: 0.4319921353373542
Energy: 0.4286423970745409
Energy: 0.4522008831415336
Energy: 0.4504497154723772
Energy: 0.4323687443608207
Energy: 0.43346209198024127
Energy: 0.43255617789796946
Energy: 0.43557770571585375
Energy: 0.4328465807346812
Energy: 0.43575925651090436
Energy: 0.4421891423881548
Energy: 0.4554243442366176
Energy: 0.42992338552498366
Energy: 0.4341918934822381
Energy: 0.4388518775210267
Energy: 0.4312569201467065
Energy: 0.43017679352596944
Energy: 0.4188511237643182
Energy: 0.4506085478665484
Energy: 0.43241294316104534
Energy: 0.41917550570178663
Energy: 0.45234106172555893
Energy: 0.43063924404157067
Energy: 0.4205659062908382
Energy: 0.44300946241330535
Energy: 0.46060283165329946
Energy: 0.41641391377795317
Energy: 0.45918051789576303
Energy: 0.4124146087839149
Energy: 0.4528614539644253
Energy: 0.4338112328852387
Energy: 0.4320182873652277
Energy: 0.4520301268893571
Energy: 0.42867910464181974
Energy: 0.43338198651584203
Energy: 0.43107326328057954
Energy: 0.41892547018554954
Energy: 0.4202400078509812
Energy: 0.42992037835369074
Energy: 0.4116403507729859
Energy: 0.42074979648563854
Energy: 0.4444844132226001
Energy: 0.43264074897612015
Energy: 0.4313448394547242
Energy: 0.4447577660284885
Energy: 0.4312054517596754
Energy: 0.4313922477321455
Energy: 0.4518468144282505
Energy: 0.431144625897497
Energy: 0.4311345955556504
Energy: 0.4287836732676315
Energy: 0.4307553943438392
Energy: 0.42894303741638007
Energy: 0.45181004560450755
Energy: 0.4327610594566679
Energy: 0.4330933888107194
Energy: 0.42719026698982004
Energy: 0.43434626290728456
Energy: 0.4344157830134766
Energy: 0.4527688764026508
Energy: 0.4437251067557693
Energy: 0.43386551961311537
Energy: 0.43052165395266895
Energy: 0.4425269351821927
Energy: 0.43036891067169625
Energy: 0.45303484025144014
Energy: 0.44289143583644963
Energy: 0.43478597867022156
Energy: 0.43095555178232503
Energy: 0.44265573677846975
Energy: 0.4304572457702878
Energy: 0.4289777506289951
Energy: 0.4301522802070602
Energy: 0.4322906586960025
Energy: 0.4396436555071541
Energy: 0.45269791940682724
Energy: 0.4318710287174275
Energy: 0.47078651417571077
Energy: 0.4349860141543738
Energy: 0.4281698885122146
Energy: 0.42882064716708396
Energy: 0.4391989643847942
Energy: 0.4351192502350034
Energy: 0.4528985274150064
Energy: 0.43644538286944917
Energy: 0.4302647650323752
Energy: 0.4288906768503262
Energy: 0.45287002047077024
Energy: 0.43237034573220695
Energy: 0.420687579395526
Energy: 0.44251757854845364
Energy: 0.4603691889878538
Energy: 0.4171663337463088
Energy: 0.42650579331434135
Energy: 0.41204630744169257

minimum gb energy = 0.4116403507729859 eV
minimum distance =  2.69748418523859 Angstroms
sigma value = 17


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

Energy: 0.7270749437438682
Energy: 0.4944294484991557
Energy: 0.4745738369757488
Energy: 0.42360565028657465
Energy: 0.4630046000905403
Energy: 0.43190072745382846
Energy: 0.4324300524737909
Energy: 0.4775806091105966
Energy: 0.4338869009200117
Energy: 0.48450912059490076
Energy: 0.4782404827100143
Energy: 0.4401416578284467
Energy: 0.41677591827782096
Energy: 0.4134067291386939
Energy: 0.4129147168561564
Energy: 0.46666826314215093
Energy: 0.4131213122011987
Energy: 0.4233499149437768
Energy: 0.4675347597084645
Energy: 0.42221941366116506
Energy: 0.4221277491546287
Energy: 0.46781937773228366
Energy: 0.3892918291348196
Energy: 0.43827449494953297
Energy: 0.4209123470008246
Energy: 0.40971870807638333
Energy: 0.4068432477338102
Energy: 0.4214955106640837
Energy: 0.4134685378681842
Energy: 0.40774945066151036
Energy: 0.4238160382926623
Energy: 0.4144717580805973
Energy: 0.40620133656310103
Energy: 0.39259844742001127
Energy: 0.4200440796695351
Energy: 0.3911814604892887
Energy: 0.4195387121279143
Energy: 0.415244354876125
Energy: 0.4157896571024398
Energy: 0.4149104035164745
Energy: 0.4178908991905978
Energy: 0.40263180545392563
Energy: 0.4116748368495475
Energy: 0.3910413338995135
Energy: 0.3911723912247897
Energy: 0.39106360862592543
Energy: 0.3908165089375815
Energy: 0.3908945247862086
Energy: 0.4166194942542886
Energy: 0.3892247833749056
Energy: 0.38924268102030557
Energy: 0.4176003967332509
Energy: 0.3901528198361182
Energy: 0.40371144520124214
Energy: 0.4199147225620456
Energy: 0.4059750343884799
Energy: 0.4062331011697677
Energy: 0.42004210578912843
Energy: 0.40531082357730563
Energy: 0.4059082146674882
Energy: 0.41140870317127676
Energy: 0.40703995932573955
Energy: 0.4076675387255714
Energy: 0.41344323322730914
Energy: 0.4217921911633528
Energy: 0.40706790646775887
Energy: 0.421871169762856
Energy: 0.46912949192377756
Energy: 0.46765204943989197
Energy: 0.40440714368672365
Energy: 0.46939202712497063
Energy: 0.4428208312759875
Energy: 0.414264514745667
Energy: 0.4667578526694087
Energy: 0.46281212230729457
Energy: 0.40365176957341276
Energy: 0.4664474900604807
Energy: 0.4629331688762248
Energy: 0.42015588077973864
Energy: 0.4809082024036329
Energy: 0.4324978423970826
Energy: 0.42196793228659674
Energy: 0.4851973587103892
Energy: 0.4381455764434861
Energy: 0.4498039122343049
Energy: 0.46625925531034196
Energy: 0.46656949644632995
Energy: 0.4641973478772582
Energy: 0.46635273834174895
Energy: 0.4550155652292549
Energy: 0.4183869417182032
Energy: 0.480827114519891
Energy: 0.43308313220057226
Energy: 0.4782434591518555
Energy: 0.4869895971125256
Energy: 0.43210849848430366
Energy: 0.40153264849654347
Energy: 0.46683444492898973
Energy: 0.4961732191903319
Energy: 0.4162288860959535
Energy: 0.4664528689205362
Energy: 0.4695147269193218

minimum gb energy = 0.3892247833749056 eV
minimum distance =  2.65143982356474 Angstroms
sigma value = 17


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

Energy: 0.771986335447668
Energy: 0.4966263255888229
Energy: 0.43013194862303056
Energy: 0.4065409637664653
Energy: 0.636206166823241
Energy: 0.4309899279544658
Energy: 0.4366497064884334
Energy: 0.39453791977539404
Energy: 0.3891327561421338
Energy: 0.4821274968714644
Energy: 0.48890107446235537
Energy: 0.42891637876542443
Energy: 0.5647798040026891
Energy: 0.37129969875202584
Energy: 0.3988140379739765
Energy: 0.48137426892384944
Energy: 0.37103642099028095
Energy: 0.4024432054386104
Energy: 0.47791938436684867
Energy: 0.4219865608741083
Energy: 0.42138124094405055
Energy: 0.47832429432674467
Energy: 0.3717359824958909
Energy: 0.43414741783757727
Energy: 0.41489048407625045
Energy: 0.3926119895309217
Energy: 0.3940151273212906
Energy: 0.4152206053515836
Energy: 0.4038407705916749
Energy: 0.39008732004964997
Energy: 0.41994828618322677
Energy: 0.38993580321263865
Energy: 0.3688557664100425
Energy: 0.37320118173383376
Energy: 0.409313718139905
Energy: 0.3696071424571061
Energy: 0.3817751811404076
Energy: 0.41423218523629535
Energy: 0.4093216901521572
Energy: 0.3659281429478293
Energy: 0.4112328595857038
Energy: 0.3643894715472865
Energy: 0.39915098466178583
Energy: 0.36309870667318933
Energy: 0.3665363905597765
Energy: 0.366279268132516
Energy: 0.3592219285808309
Energy: 0.3670617087971314
Energy: 0.38224670277361533
Energy: 0.37719416088195007
Energy: 0.3782802066221074
Energy: 0.383135980092652
Energy: 0.37329718991875566
Energy: 0.381433684542311
Energy: 0.38142289096959403
Energy: 0.3600333102346174
Energy: 0.36051544554011894
Energy: 0.38152965044535353
Energy: 0.3605104727961386
Energy: 0.36014260194506986
Energy: 0.3922524233550642
Energy: 0.35968890687826593
Energy: 0.359479974787041
Energy: 0.36036864050404804
Energy: 0.3816842404173746
Energy: 0.3600338058409576
Energy: 0.3834037555137281
Energy: 0.38778505158183596
Energy: 0.38158716428403916
Energy: 0.3833966002667081
Energy: 0.3850292043969665
Energy: 0.37830595097365594
Energy: 0.39334656422257785
Energy: 0.36716722831126875
Energy: 0.36749979541561684
Energy: 0.36446542842097246
Energy: 0.3924159145033485
Energy: 0.36986012885716285
Energy: 0.40863059294741877
Energy: 0.36454327858859353
Energy: 0.3642736715844248
Energy: 0.4096125970535604
Energy: 0.36433879884391185
Energy: 0.4091403906913268
Energy: 0.40903432845515647
Energy: 0.36929236636791335
Energy: 0.36804595897371206
Energy: 0.4090881759783132
Energy: 0.369063203959844
Energy: 0.385010134572292
Energy: 0.4759591170088924
Energy: 0.41091226673717923
Energy: 0.38950776675080895
Energy: 0.4039185224377522
Energy: 0.41540086563090756
Energy: 0.39293695767677733
Energy: 0.3821461660773178
Energy: 0.4835858090471903
Energy: 0.4589723227549916
Energy: 0.37809238186260824
Energy: 0.4811866386146768
Energy: 0.3955029332817901
Energy: 0.38196900223282004
Energy: 0.47251665725941305
Energy: 0.46854014120479903
Energy: 0.3787965574146893
Energy: 0.48039134950820667
Energy: 0.40227932441401787
Energy: 0.476518676461239
Energy: 0.46409038859308344
Energy: 0.42932631155303225
Energy: 0.41367313375551856
Energy: 0.39797214237687173
Energy: 0.3891493586210842
Energy: 0.5640094379506362
Energy: 0.4053167091641838
Energy: 0.4053562155483292
Energy: 0.45494443337818513
Energy: 0.40547849323054225
Energy: 0.4531600638003802
Energy: 0.46323798004503347
Energy: 0.45568283555773126
Energy: 0.4281930899473074
Energy: 0.4777543181654535
Energy: 0.441587352947311
Energy: 0.3890989847053966
Energy: 0.3878683755553609
Energy: 0.4517246320721773
Energy: 0.4869576660617368
Energy: 0.3733130951072181
Energy: 0.4638781988382364
Energy: 0.42387333386408654
Energy: 0.39012643845320344
Energy: 0.4719167492445612
Energy: 0.390914448739432
Energy: 0.3858772161872084
Energy: 0.470242527429122
Energy: 0.4511913126127921
Energy: 0.5633060921431637
Energy: 0.41226927847856576
Energy: 0.3905049528501146
Energy: 0.47755912228862374
Energy: 0.38413263562234184
Energy: 0.4679388562781314
Energy: 0.48484054237676033
Energy: 0.37328142999628244
Energy: 0.39884153257440574
Energy: 0.47819098069274935
Energy: 0.3732950758324067
Energy: 0.40284012420752396
Energy: 0.41745200787831604
Energy: 0.4057442177361458
Energy: 0.39219694158219437
Energy: 0.41612073607388367
Energy: 0.4042160216340465
Energy: 0.4044942431121936
Energy: 0.37542828603925904
Energy: 0.3943630413910314
Energy: 0.3950501982313315
Energy: 0.3710033098888656
Energy: 0.39331994100362005
Energy: 0.3793999643104856
Energy: 0.37967449396183073
Energy: 0.4133242491732817
Energy: 0.408214506201505
Energy: 0.3801913078000362
Energy: 0.4106257627016043
Energy: 0.4082534917994294
Energy: 0.3953531017479367
Energy: 0.36559014025680553
Energy: 0.36573405737300296
Energy: 0.3648621383381205
Energy: 0.40963157978962705
Energy: 0.3658879196338556
Energy: 0.3882026988952763
Energy: 0.3601508783197524
Energy: 0.3647954607451988
Energy: 0.3874736083487178
Energy: 0.35856054387443254
Energy: 0.36715698938885605
Energy: 0.3849558945964416
Energy: 0.359198980697548
Energy: 0.3585751914005186
Energy: 0.3858771174595475
Energy: 0.3587780397497575
Energy: 0.35825224637233316
Energy: 0.389139929034024
Energy: 0.3592037055106766
Energy: 0.3595840863855787
Energy: 0.35892298203422657
Energy: 0.35834860711291777
Energy: 0.35956425030041933
Energy: 0.38694352800553095
Energy: 0.38582457393060215
Energy: 0.38109708061830583
Energy: 0.3876420587841841
Energy: 0.38256257917489417
Energy: 0.38147727218472477
Energy: 0.37884575558577943
Energy: 0.3676532540944635
Energy: 0.3636601410967146
Energy: 0.3654745985178152
Energy: 0.36760977887065477
Energy: 0.3644113982661083
Energy: 0.413698108184715
Energy: 0.36390499904840573
Energy: 0.3637576497570505
Energy: 0.41461253880783155
Energy: 0.3640259150918394
Energy: 0.36439020999069355
Energy: 0.4140308819663867
Energy: 0.3649863176295427
Energy: 0.38922952847109876
Energy: 0.4147223617603948
Energy: 0.3649048477049819
Energy: 0.4061164164705911
Energy: 0.5319701584051697
Energy: 0.3854181853964081
Energy: 0.39165479546656146
Energy: 0.4052510352539262
Energy: 0.4101959963545557
Energy: 0.39032177878042557
Energy: 0.3858426840184396
Energy: 0.40477371098589726
Energy: 0.4039762568105032
Energy: 0.398524714946902
Energy: 0.477338350143296
Energy: 0.40462143365015935
Energy: 0.38181759808592186
Energy: 0.44588479961136757
Energy: 0.40368954548545777
Energy: 0.3853986712302591
Energy: 0.4496776107289657
Energy: 0.3996265280211223
Energy: 0.40921324458086045
Energy: 0.45396884597530834
Energy: 0.470510816146974
Energy: 0.4160068118566668
Energy: 0.4788225183621874
Energy: 0.4275352205891544
Energy: 0.5352184129662374
Energy: 0.3904922985420343
Energy: 0.4500131875897945
Energy: 0.47932684062807
Energy: 0.39157967535666677
Energy: 0.45445496109210387
Energy: 0.5621464813597216
Energy: 0.4359113843584573
Energy: 0.39051779453658475
Energy: 0.47794281833464314
Energy: 0.4088665092170602
Energy: 0.46841934860725326
Energy: 0.3903525331582231
Energy: 0.47098208198991254
Energy: 0.4683102282194563
Energy: 0.38682128820509565
Energy: 0.46963179808691025
Energy: 0.43708742878973883

minimum gb energy = 0.35825224637233316 eV
minimum distance =  2.67847509882546 Angstroms
sigma value = 57


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

Energy: 0.35801693981491767
Energy: 0.4479236044294391
Energy: 0.41008536345308544
Energy: 0.35971263061610304
Energy: 0.5670518303624829
Energy: 0.41091508101613466
Energy: 0.43086544404972965
Energy: 0.37345276257079
Energy: 0.36955354765296455
Energy: 0.46772883784266117
Energy: 0.371575418270265
Energy: 0.37076528230685546
Energy: 0.5347787203853015
Energy: 0.3550034494003122
Energy: 0.35586021708619725
Energy: 0.4680305072490285
Energy: 0.35286303294504384
Energy: 0.38661399759213
Energy: 0.4588730037039213
Energy: 0.3564388846540172
Energy: 0.4087407866049093
Energy: 0.3928361929230958
Energy: 0.353085089671828
Energy: 0.4117880567852919
Energy: 0.3959681737502239
Energy: 0.3732531904318314
Energy: 0.3751280860373376
Energy: 0.39641240337441747
Energy: 0.3904150778051301
Energy: 0.37133329630998996
Energy: 0.3505759029378603
Energy: 0.3699585040378069
Energy: 0.35196016651724726
Energy: 0.3419957401984623
Energy: 0.41093588172312073
Energy: 0.35308038953611615
Energy: 0.3791062164139075
Energy: 0.40520598764873544
Energy: 0.4081774016287897
Energy: 0.34574745581313926
Energy: 0.40297803159911094
Energy: 0.34488930201005963
Energy: 0.484821881656305
Energy: 0.3428324554862849
Energy: 0.34257547134299915
Energy: 0.3945655059081712
Energy: 0.3353478678982797
Energy: 0.35167994267667185
Energy: 0.3702126376972337
Energy: 0.3628291373642585
Energy: 0.36085601944780893
Energy: 0.37077693109096377
Energy: 0.3550617413474615
Energy: 0.3771822893146537
Energy: 0.37702444921339356
Energy: 0.33462401934789054
Energy: 0.3345264200745383
Energy: 0.3773591423524582
Energy: 0.3352825575145669
Energy: 0.3339215376970874
Energy: 0.35717300045957184
Energy: 0.36385441602470653
Energy: 0.3407075686426153
Energy: 0.33553181725201026
Energy: 0.3624254040171563
Energy: 0.33953361791736514
Energy: 0.37033160476943494
Energy: 0.35928390284585576
Energy: 0.36152193822856826
Energy: 0.34873758150180184
Energy: 0.356580864039484
Energy: 0.33227431777182864
Energy: 0.3629527858749213
Energy: 0.367848287143762
Energy: 0.33424771344849047
Energy: 0.3334623113775787
Energy: 0.3713801207847658
Energy: 0.33425069807473556
Energy: 0.35438319474721397
Energy: 0.3323060273682955
Energy: 0.34495824740626535
Energy: 0.3553882830785947
Energy: 0.35287209416540133
Energy: 0.3628100112175682
Energy: 0.3660665935036179
Energy: 0.3348138179486635
Energy: 0.3338090354967123
Energy: 0.3544063535578441
Energy: 0.3375637735586408
Energy: 0.3336063372952002
Energy: 0.37858416102869397
Energy: 0.37667133216078047
Energy: 0.3349865246847437
Energy: 0.33553093621779223
Energy: 0.3750493299762799
Energy: 0.3347476542888102
Energy: 0.3548507158097317
Energy: 0.37506194313529
Energy: 0.3771512368348427
Energy: 0.3382385827417995
Energy: 0.3727395827801005
Energy: 0.3501552680237281
Energy: 0.35548146604423037
Energy: 0.35051898081573757
Energy: 0.3497320074458658
Energy: 0.3561607942256591
Energy: 0.3509875523215988
Energy: 0.35018326742608097
Energy: 0.40093194749279626
Energy: 0.3453499825212615
Energy: 0.37353754922894766
Energy: 0.4015038842407136
Energy: 0.35125803545496825
Energy: 0.40915165193593295
Energy: 0.4560385270091778
Energy: 0.35289408868729066
Energy: 0.3532460177510484
Energy: 0.3905355338045311
Energy: 0.35039893440352404
Energy: 0.3695789049686408
Energy: 0.5062457873047181
Energy: 0.3922298922985127
Energy: 0.3919416020615989
Energy: 0.3903190560001802
Energy: 0.3917321937678792
Energy: 0.3735700166042085
Energy: 0.35370640026786637
Energy: 0.44017205518707514
Energy: 0.390033280844365
Energy: 0.344773431879187
Energy: 0.4693828258685821
Energy: 0.3709902730730161
Energy: 0.3712240967881875
Energy: 0.4295388331636231
Energy: 0.419994078003604
Energy: 0.36164844957396197
Energy: 0.46699364128816717
Energy: 0.41996548214892926
Energy: 0.5039714508647691
Energy: 0.39320466230304774
Energy: 0.37279103611274267
Energy: 0.3913908043861249
Energy: 0.38976035864654773
Energy: 0.371235202568164
Energy: 0.5375844506260092
Energy: 0.36729512983560436
Energy: 0.37100112655895023
Energy: 0.44323772297905123
Energy: 0.3683827668479086
Energy: 0.42726540293956755
Energy: 0.501573556518558
Energy: 0.41737482656186303
Energy: 0.3702215933879928
Energy: 0.46458109562421607
Energy: 0.41602076261935417
Energy: 0.3915040880088684
Energy: 0.3571316658669344
Energy: 0.42250381567229295
Energy: 0.40870823811475143
Energy: 0.3543502912063867
Energy: 0.42114905160245797
Energy: 0.382902093282777

minimum gb energy = 0.33227431777182864 eV
minimum distance =  2.69925518892981 Angstroms
sigma value = 43


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

Energy: 0.3083284460710774
Energy: 0.3543406700868566
Energy: 0.3624541865890914
Energy: 0.30439529159302414
Energy: 0.40710729113647653
Energy: 0.3413240861849489
Energy: 0.4428419848478883
Energy: 0.31151795590729114
Energy: 0.3075427103509708
Energy: 0.31086689947263463
Energy: 0.31653781101099004
Energy: 0.3082822749300959
Energy: 0.4594438898692813
Energy: 0.2947703780848565
Energy: 0.30612658836937423
Energy: 0.3392218848542364
Energy: 0.2951948232102385
Energy: 0.30551772703007973
Energy: 0.40276427007458787
Energy: 0.3052723756517832
Energy: 0.3075441071049521
Energy: 0.34119230118394056
Energy: 0.3402236822887138
Energy: 0.3522665188356089
Energy: 0.3560640407942776
Energy: 0.3110140025640074
Energy: 0.3112480255678063
Energy: 0.34580805124535374
Energy: 0.311615302376996
Energy: 0.3072421981484496
Energy: 0.2977937129374052
Energy: 0.31100257565274864
Energy: 0.2985849322286423
Energy: 0.29778680500151805
Energy: 0.3569401454943198
Energy: 0.30705650422975433
Energy: 0.42366692510741205
Energy: 0.35707546436074955
Energy: 0.3393913777976073
Energy: 0.2917833502606724
Energy: 0.35985977439585903
Energy: 0.29014500564601037
Energy: 0.41998573576705295
Energy: 0.2813020818464287
Energy: 0.28630717046552134
Energy: 0.29116991160976463
Energy: 0.282170796363253
Energy: 0.286110188167077
Energy: 0.32940654310820167
Energy: 0.2855639260167923
Energy: 0.31217534155850063
Energy: 0.3303326208070365
Energy: 0.2943034493286121
Energy: 0.32816191166730274
Energy: 0.3184715439399803
Energy: 0.2811530040673767
Energy: 0.28112458089716724
Energy: 0.32900690443685054
Energy: 0.28079178749665135
Energy: 0.28069740991398057
Energy: 0.2949017534485466
Energy: 0.31123939507336174
Energy: 0.2795570102887207
Energy: 0.29005797263719457
Energy: 0.3113008636913446
Energy: 0.2771322713404068
Energy: 0.33075761735269404
Energy: 0.3113343649868813
Energy: 0.3114247809144812
Energy: 0.27705540787189936
Energy: 0.31532089913384526
Energy: 0.2767533042500195
Energy: 0.3299956606617707
Energy: 0.29982742959432157
Energy: 0.30389536383431315
Energy: 0.30405174545611197
Energy: 0.2997067306382162
Energy: 0.3048889392269002
Energy: 0.3008704289738112
Energy: 0.2748934956738375
Energy: 0.30098301124177185
Energy: 0.30175947634695904
Energy: 0.2978726225662597
Energy: 0.3011769570186703
Energy: 0.30119506372000193
Energy: 0.27352526218114204
Energy: 0.2731063438965729
Energy: 0.3008975343819741
Energy: 0.2735043712105257
Energy: 0.27289984015762364
Energy: 0.2968761135365191
Energy: 0.29666439912806636
Energy: 0.2722158903173269
Energy: 0.28586886880699336
Energy: 0.29634623238216573
Energy: 0.2733390554270594
Energy: 0.30243709025282106
Energy: 0.2964253512439008
Energy: 0.2967686952449978
Energy: 0.2860316710573938
Energy: 0.2961955342072376
Energy: 0.27424890385976053
Energy: 0.29749456015596765
Energy: 0.27315644895939845
Energy: 0.2733380935015073
Energy: 0.2967596372824207
Energy: 0.29788883488690276
Energy: 0.27372532236729685
Energy: 0.2962003223762689
Energy: 0.2892356541602918
Energy: 0.29664820715494156
Energy: 0.29698442364560085
Energy: 0.32422400500470466
Energy: 0.2963550888824627
Energy: 0.29686241835096344
Energy: 0.3022625965268304
Energy: 0.2756830826061546
Energy: 0.3023181942725424
Energy: 0.2981205084777338
Energy: 0.27628008100005536
Energy: 0.31273080863390623
Energy: 0.30110128611082687
Energy: 0.30150732587083634
Energy: 0.27162488361653997
Energy: 0.3009158801123828
Energy: 0.2765265615164449
Energy: 0.296997737342183
Energy: 0.3012952059702268
Energy: 0.27533034360599334
Energy: 0.27592478145774907
Energy: 0.30095498649842717
Energy: 0.2734999931702006
Energy: 0.31186969419241056
Energy: 0.2757430857377069
Energy: 0.27546042829084927
Energy: 0.31121640341566814
Energy: 0.2759190520320633
Energy: 0.27491766322348404
Energy: 0.3109016484108785
Energy: 0.27856154622720236
Energy: 0.3110164919981915
Energy: 0.31179981086878333
Energy: 0.2922728960013492
Energy: 0.31115875200299636
Energy: 0.4090690845278316
Energy: 0.29046677087412404
Energy: 0.29582053862144675
Energy: 0.31379131665131743
Energy: 0.29056208921511517
Energy: 0.3136885912077173
Energy: 0.37820586609711093
Energy: 0.32844724205639597
Energy: 0.32883110879182764
Energy: 0.2802154893547735
Energy: 0.33267848405781303
Energy: 0.2797909799742463
Energy: 0.29642247925695187
Energy: 0.3284168216555268
Energy: 0.28933085095790373
Energy: 0.27850492958206874
Energy: 0.3286937603134422
Energy: 0.2834991532376748
Energy: 0.32704550830977563
Energy: 0.2921204368107226
Energy: 0.29134925056379785
Energy: 0.3376498188248187
Energy: 0.2922022430194091
Energy: 0.2904353252138498
Energy: 0.3580656195170257
Energy: 0.29525110762214185
Energy: 0.34151067645782596
Energy: 0.35894502969290676
Energy: 0.28323397484869794
Energy: 0.33410664254281636
Energy: 0.43588564257133344
Energy: 0.2880124075514951
Energy: 0.29639698482463106
Energy: 0.31026175517498
Energy: 0.28867303297151714
Energy: 0.29654178813043225
Energy: 0.43565413407306014
Energy: 0.34001375569960685
Energy: 0.313410208212825
Energy: 0.31588129677463184
Energy: 0.3399047411753258
Energy: 0.3110050970182769
Energy: 0.3024031561575067
Energy: 0.35401028642421006
Energy: 0.3262568043508957
Energy: 0.2934770944436724
Energy: 0.3796636734028588
Energy: 0.3093462191872125
Energy: 0.3676989714418014
Energy: 0.3409507058371459
Energy: 0.3375243407832408
Energy: 0.3433142512657008
Energy: 0.34000763123281896
Energy: 0.31547545532445453
Energy: 0.43621136107148795
Energy: 0.31956023973280023
Energy: 0.324417661941504
Energy: 0.3410965330101666
Energy: 0.3395223155836403
Energy: 0.3692056655835458
Energy: 0.46018307142251313
Energy: 0.30635827663124726
Energy: 0.32070292932020555
Energy: 0.36540647100557017
Energy: 0.3058675402932575
Energy: 0.34695251094002844
Energy: 0.44284215767346174
Energy: 0.3404617088281752
Energy: 0.3416141835511521
Energy: 0.31329457522726195
Energy: 0.33969693542088913
Energy: 0.3088867396332127

minimum gb energy = 0.27162488361653997 eV
minimum distance =  2.72038593126493 Angstroms
sigma value = 81


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

Energy: 0.01447351791136197
Energy: 0.03437358668285938
Energy: 0.015121789032246655
Energy: 0.016110434900753454
Energy: 0.01773214160185945
Energy: 0.015080896088477586
Energy: 0.034573507519763985
Energy: 0.015043820141261396
Energy: 0.015325175070784918
Energy: 0.03478455028607896
Energy: 0.017292039090971996
Energy: 0.015337557529852922
Energy: 0.03371509649985783
Energy: 0.01490289173508657
Energy: 0.014970153179135944
Energy: 0.03369049937679845
Energy: 0.014892941432673208
Energy: 0.034199812325833426
Energy: 0.017193440783669408
Energy: 0.01526270270924245
Energy: 0.0150322409003043
Energy: 0.01816036190071222
Energy: 0.014963738938052886
Energy: 0.0343270202859599
Energy: 0.033971468442072376
Energy: 0.033669246491324654
Energy: 0.03379639556543691
Energy: 0.034453732265228985
Energy: 0.03365835147608064
Energy: 0.03466225652614132
Energy: 0.015202633296476158
Energy: 0.015326037459344927
Energy: 0.015300488909875414
Energy: 0.016319477368369945
Energy: 0.015355467968370135
Energy: 0.014972864432057083
Energy: 0.03460970567035616
Energy: 0.015319749942171805
Energy: 0.015270214340826182
Energy: 0.03358624323492076
Energy: 0.0151623583491846
Energy: 0.015361829877570673
Energy: 0.033542974490825335
Energy: 0.01494170693294206
Energy: 0.015192539736099409
Energy: 0.03364106489115711
Energy: 0.014821732542016549
Energy: 0.034860790214344975
Energy: 0.015606486681490159
Energy: 0.015190832416838213
Energy: 0.03541434816137186
Energy: 0.01651264393669599
Energy: 0.015004962820951423
Energy: 0.035011245653584155
Energy: 0.01526064148904354
Energy: 0.0336137568235855
Energy: 0.033798408290702624
Energy: 0.0153446166709745
Energy: 0.033608948610976346
Energy: 0.03404084368233391

minimum gb energy = 0.01447351791136197 eV
minimum distance =  2.85796451800268 Angstroms
sigma value = 3


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

Energy: 0.347422822664785
Energy: 0.3608048556659253
Energy: 0.34637326079114483
Energy: 0.2871190613771268
Energy: 0.34245427994045796
Energy: 0.3209576963239923
Energy: 0.35343959274633946
Energy: 0.3424898051345556
Energy: 0.35798814808072343
Energy: 0.34579752371556727
Energy: 0.34495159184791857
Energy: 0.3645401698057937
Energy: 0.35263704082775515
Energy: 0.32928785340629463
Energy: 0.3295044859178518
Energy: 0.34053282142763985
Energy: 0.29803720002708706
Energy: 0.3619952862005917
Energy: 0.33652884225721863
Energy: 0.3296569647017467
Energy: 0.32974319406646724
Energy: 0.33672528717451694
Energy: 0.2966290972507554
Energy: 0.3442766091552383
Energy: 0.3043972259950785
Energy: 0.3472623225082725
Energy: 0.3438862981672069
Energy: 0.30435034963166474
Energy: 0.34467265159327415
Energy: 0.36459634451541106
Energy: 0.3333083130425325
Energy: 0.34787167595306256
Energy: 0.33632283899349247
Energy: 0.2835880547441926
Energy: 0.34861415749401703
Energy: 0.31907899096096565
Energy: 0.33553737463180644
Energy: 0.3142577707061909
Energy: 0.34035546171483466
Energy: 0.33548705370310855
Energy: 0.31531017849474613
Energy: 0.3429429382041212
Energy: 0.3329010976879667
Energy: 0.28831830128641583
Energy: 0.3262335714006169
Energy: 0.3328013033686653
Energy: 0.27269252752857
Energy: 0.31422647220549793
Energy: 0.3532591911178213
Energy: 0.3273034273850946
Energy: 0.33770732851158647
Energy: 0.34168010902971335
Energy: 0.2855653259324449
Energy: 0.3391735886701957
Energy: 0.29191961493709584
Energy: 0.3106969187375789
Energy: 0.3102913792649509
Energy: 0.3186492714630108
Energy: 0.31440673657017254
Energy: 0.32000948898076503
Energy: 0.2727074712120799
Energy: 0.33048398664081974
Energy: 0.331546723709908
Energy: 0.27571663406641983
Energy: 0.27541331251618395
Energy: 0.31560116282080697
Energy: 0.29515507971565497
Energy: 0.33597333242371286
Energy: 0.3368594832645198
Energy: 0.29388060178543995
Energy: 0.2861917694807334
Energy: 0.28957587276405
Energy: 0.29089333763627395
Energy: 0.2667196084169542
Energy: 0.31973905406370184
Energy: 0.2909654831396335
Energy: 0.2691405171044163
Energy: 0.292378507979049
Energy: 0.33085095249440705
Energy: 0.3008416360325047
Energy: 0.3224735765054474
Energy: 0.29235036289412575
Energy: 0.27627097692934144
Energy: 0.3220489155354363
Energy: 0.3317200882410267
Energy: 0.2756867530805326
Energy: 0.2753336257204274
Energy: 0.33130983109604756
Energy: 0.27966865319968787
Energy: 0.2753310060155504
Energy: 0.2703674098005951
Energy: 0.3143605520740593
Energy: 0.3136961328744163
Energy: 0.2713234623331776
Energy: 0.32841007490818536
Energy: 0.31381682477930123
Energy: 0.27316827084885653
Energy: 0.31418199732615615
Energy: 0.3118066121976168
Energy: 0.27164672242358656
Energy: 0.27816770160370136
Energy: 0.2674656457393781
Energy: 0.2681487872205503
Energy: 0.31136091412592287
Energy: 0.3107174257509431
Energy: 0.26823850458087467
Energy: 0.2715890613901056
Energy: 0.3094711114270878
Energy: 0.336646025134533
Energy: 0.29216296306520606
Energy: 0.3089251878363107
Energy: 0.2713327965357263
Energy: 0.26811661709004964
Energy: 0.30925842921271796
Energy: 0.3298422799624288
Energy: 0.26847061256877425
Energy: 0.2675741325475909
Energy: 0.3297956048319621
Energy: 0.27235985000696133
Energy: 0.267692613366069
Energy: 0.3290761909858142
Energy: 0.31386960322736984
Energy: 0.31392476269717695
Energy: 0.3283639059602696
Energy: 0.3132974633753475
Energy: 0.3128344853598353
Energy: 0.2788056804750481
Energy: 0.31112031444884114
Energy: 0.29630240328716095
Energy: 0.27869853106192627
Energy: 0.3115987945656247
Energy: 0.27538397749238774
Energy: 0.27551228449804754
Energy: 0.3219390571772009
Energy: 0.3227611699758796
Energy: 0.2755164778268462
Energy: 0.2938651750194706
Energy: 0.3196101658831561
Energy: 0.2742024743435591
Energy: 0.2907574140220466
Energy: 0.2907645242161037
Energy: 0.2695560430919023
Energy: 0.29020180918448224
Energy: 0.31291321068498634
Energy: 0.30657088874551036
Energy: 0.29012766117171973
Energy: 0.2897647247918844
Energy: 0.2774710595661861
Energy: 0.29498508104140925
Energy: 0.28996138750512584
Energy: 0.2758329583953012
Energy: 0.2808562614862149
Energy: 0.3227323458796878
Energy: 0.2758769749322866
Energy: 0.292853890402377
Energy: 0.33163961304195844
Energy: 0.3131978654238578
Energy: 0.32244781976219744
Energy: 0.32545359010146335
Energy: 0.31326858844575867
Energy: 0.2829374225265647
Energy: 0.3203607269599659
Energy: 0.2966891940129234
Energy: 0.3037055507595808
Energy: 0.3053047055605293
Energy: 0.29663774991486924
Energy: 0.304595105768859
Energy: 0.3069346084515639
Energy: 0.336947276984844
Energy: 0.3334133284587824
Energy: 0.32899106927011773
Energy: 0.2787966702665923
Energy: 0.33362409596636705
Energy: 0.31793732579812123
Energy: 0.31606286366846953
Energy: 0.3446635071477893
Energy: 0.3430772564553136
Energy: 0.31608863958457056
Energy: 0.33801691380559334
Energy: 0.337881716583939
Energy: 0.33767414388002925
Energy: 0.2930188820522818
Energy: 0.3289691993396655
Energy: 0.3373597714952427
Energy: 0.274783520549944
Energy: 0.32922530414986195
Energy: 0.3532698506655588
Energy: 0.33090059742798883
Energy: 0.3516786605999691
Energy: 0.361946362885946
Energy: 0.2916572024939185
Energy: 0.3639680971160498
Energy: 0.3110599888210689
Energy: 0.3330165518359263
Energy: 0.33655152077409534
Energy: 0.3110002782772788
Energy: 0.3372372164806396
Energy: 0.32686275404722587

minimum gb energy = 0.2667196084169542 eV
minimum distance =  2.66212997825603 Angstroms
sigma value = 67


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

Energy: 0.4225197377149919
Energy: 0.4214841989860022
Energy: 0.41958072692586296
Energy: 0.3557414173315097
Energy: 0.4247174770423819
Energy: 0.41887326726701585
Energy: 0.41840410282490675
Energy: 0.42737924352283124
Energy: 0.42545150813199684
Energy: 0.41958750167175335
Energy: 0.42617428181510153
Energy: 0.4201215159261591
Energy: 0.4297957748752529
Energy: 0.3688756426797835
Energy: 0.4138279101118511
Energy: 0.4185788381076854
Energy: 0.36719331410816647
Energy: 0.41275396522108065
Energy: 0.40229457931576484
Energy: 0.40086024575220885
Energy: 0.407755328113824
Energy: 0.4028123312971701
Energy: 0.4029001802663729
Energy: 0.41703519624197
Energy: 0.3945105808901598
Energy: 0.43420402592261254
Energy: 0.43775621227284855
Energy: 0.3947307842350403
Energy: 0.4274626788168995
Energy: 0.41805216984045607
Energy: 0.4051846358892546
Energy: 0.38909122863366263
Energy: 0.4054850883351741
Energy: 0.37037480285756763
Energy: 0.3893291932658563
Energy: 0.4043509850190995
Energy: 0.40537268079982564
Energy: 0.3714711409035974
Energy: 0.4126171925237587
Energy: 0.40611240046286473
Energy: 0.37159739143914383
Energy: 0.37248517573870515
Energy: 0.4023625548067255
Energy: 0.3537266632315848
Energy: 0.40128521519313876
Energy: 0.40164897435575575
Energy: 0.3520931494657743
Energy: 0.4008711679324059
Energy: 0.41716269916839976
Energy: 0.3722681674666607
Energy: 0.37169014067298956
Energy: 0.3724407091201444
Energy: 0.36888168615720435
Energy: 0.4189247637235919
Energy: 0.3879632821725789
Energy: 0.3734991706495383
Energy: 0.37477934094372306
Energy: 0.38808575125540484
Energy: 0.3710353996489998
Energy: 0.36907063856840516
Energy: 0.3514510195995991
Energy: 0.40197162424728594
Energy: 0.40256259079968193
Energy: 0.3538528530625375
Energy: 0.411673158024964
Energy: 0.403342891130044
Energy: 0.35618849111179934
Energy: 0.3741170520885113
Energy: 0.3999128175149804
Energy: 0.3568866714512657
Energy: 0.37122670341842173
Energy: 0.3525162323705422
Energy: 0.35856564488143416
Energy: 0.35631855463607887
Energy: 0.3958350784954867
Energy: 0.35906479182767126
Energy: 0.35374218795959983
Energy: 0.3524815843387494
Energy: 0.4165232924275958
Energy: 0.3790983302034229
Energy: 0.39617737594974256
Energy: 0.3529059328131231
Energy: 0.385160295167386
Energy: 0.3952549409225961
Energy: 0.4095774955360234
Energy: 0.3557600570431572
Energy: 0.3575035652425448
Energy: 0.4103823276086464
Energy: 0.35328253757891376
Energy: 0.3530140832312616
Energy: 0.4089052652041343
Energy: 0.40466979395938873
Energy: 0.4022099486947217
Energy: 0.3707954732310878
Energy: 0.3855115061294083
Energy: 0.3999447211194228
Energy: 0.3748558727322767
Energy: 0.3504093287522591
Energy: 0.3939626145532383
Energy: 0.37506846236961616
Energy: 0.3482942577411734
Energy: 0.37032039423565893
Energy: 0.37572727621088886
Energy: 0.37324622102218663
Energy: 0.42098479653771437
Energy: 0.37635891443960456
Energy: 0.3718553368587483
Energy: 0.36965679297563253
Energy: 0.40506842547475774
Energy: 0.358201673647742
Energy: 0.4083515170752109
Energy: 0.3589758377493531
Energy: 0.35791422722890637
Energy: 0.40964343317950735
Energy: 0.37309335656785014
Energy: 0.40709523584304813
Energy: 0.41113842275212253
Energy: 0.37399263151611667
Energy: 0.401792452114416
Energy: 0.40433996257427507
Energy: 0.4070894912997312
Energy: 0.3852402693860203
Energy: 0.42175573767574137
Energy: 0.4066389326504179
Energy: 0.3978589208953451
Energy: 0.421954171316795
Energy: 0.4291260628516086
Energy: 0.3577369141578412
Energy: 0.42121134608893807
Energy: 0.4190268321881095
Energy: 0.35564292699645356
Energy: 0.4212752572787743
Energy: 0.41791383019721606
Energy: 0.40534339744561704
Energy: 0.410325584909192
Energy: 0.4178936790199918
Energy: 0.4030141220640606
Energy: 0.4129771388706855

minimum gb energy = 0.3482942577411734 eV
minimum distance =  2.65544007900767 Angstroms
sigma value = 33


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

Energy: 0.7259302541098831
Energy: 0.4937101070966894
Energy: 0.4950033336524921
Energy: 0.42277708572214256
Energy: 0.45535328064635355
Energy: 0.47550509832082666
Energy: 0.4620380628138271
Energy: 0.4433242975854589
Energy: 0.4471584953200743
Energy: 0.4414190678500272
Energy: 0.4877702981122961
Energy: 0.4480690651420232
Energy: 0.4978191864424692
Energy: 0.4446197790773613
Energy: 0.44640162277166234
Energy: 0.44835624087944365
Energy: 0.43963193513278254
Energy: 0.471976312740514
Energy: 0.44251383370848596
Energy: 0.44468778110326745
Energy: 0.45544180202835494
Energy: 0.4430489707795574
Energy: 0.4493048256812677
Energy: 0.4715374607476743
Energy: 0.44175639601043193
Energy: 0.4096997849378403
Energy: 0.48958443417561637
Energy: 0.44151156942752445
Energy: 0.44610166158947095
Energy: 0.4470644621520558
Energy: 0.4053384783958695
Energy: 0.40793545563313416
Energy: 0.4090113491870533
Energy: 0.40878630383328307
Energy: 0.4077317113836531
Energy: 0.4055840666758456
Energy: 0.4413519337579809
Energy: 0.448212664597941
Energy: 0.4501815425754866
Energy: 0.44193212569566703
Energy: 0.4088810384623211
Energy: 0.44680512431097985
Energy: 0.44311241627014675
Energy: 0.4131922305252427
Energy: 0.40825554320209795
Energy: 0.4430782799061081
Energy: 0.41030335822345093
Energy: 0.4469147287167562
Energy: 0.4371751249661925
Energy: 0.4105462927361845
Energy: 0.44309567921956466
Energy: 0.4127232159946212
Energy: 0.4084704443107445
Energy: 0.46120163859970914
Energy: 0.436900988749418
Energy: 0.4119199800508152
Energy: 0.4083303914926907
Energy: 0.4358216204335918
Energy: 0.40916064223720916
Energy: 0.4078657660697904
Energy: 0.4350202204499737
Energy: 0.40939474622214084
Energy: 0.4088763415739457
Energy: 0.4094314175089807
Energy: 0.4369122845877802
Energy: 0.4078321700556801
Energy: 0.4143979150735489
Energy: 0.4078227691223317
Energy: 0.40808853474873297
Energy: 0.4078215450753138
Energy: 0.41947464973713966
Energy: 0.40824335536601686
Energy: 0.41270772394163985
Energy: 0.4485040180716586
Energy: 0.4279098025587277
Energy: 0.41359485749464525
Energy: 0.41234483081896134
Energy: 0.4079869548958202
Energy: 0.3966051147797048
Energy: 0.4116931915012299
Energy: 0.4488293032789678
Energy: 0.3987042836520134
Energy: 0.4367665633535359
Energy: 0.3963848146805459
Energy: 0.398270337130784
Energy: 0.44851242751410525
Energy: 0.44969341818937897
Energy: 0.3977378883230605
Energy: 0.44391140971024423
Energy: 0.4306694854512261
Energy: 0.41365628855300096
Energy: 0.4162601780629713
Energy: 0.4509249441537652
Energy: 0.4131575697377734
Energy: 0.4160466023650747
Energy: 0.4497328982310429
Energy: 0.4950223081132492
Energy: 0.4214947917979338
Energy: 0.4157726068083665
Energy: 0.4495174037998865
Energy: 0.4184600528205022
Energy: 0.4632228283647408
Energy: 0.5193156432339048
Energy: 0.4462117983133174
Energy: 0.44927785175915996
Energy: 0.4893550046565626
Energy: 0.4443371485921529
Energy: 0.47899664039705553
Energy: 0.4645664868636857
Energy: 0.44658389579737906
Energy: 0.41729439396108065
Energy: 0.41801137008283895
Energy: 0.4468493697199323
Energy: 0.4491522855523301
Energy: 0.46180608143695945
Energy: 0.4453410163350811
Energy: 0.41256089445917854
Energy: 0.46275902780361255
Energy: 0.4457769253309027
Energy: 0.4471532763211643
Energy: 0.4960019894246043
Energy: 0.40803868018037937
Energy: 0.4261053891349409
Energy: 0.4470323309573885
Energy: 0.4500751307440505
Energy: 0.4430925138620725
Energy: 0.4422685979432562
Energy: 0.44386354729667205
Energy: 0.4463496032660518
Energy: 0.4425585560245349
Energy: 0.4429404438548248
Energy: 0.47189268964570585
Energy: 0.44185048757159906
Energy: 0.41236751907470504
Energy: 0.4473548092215369
Energy: 0.4419556686346576
Energy: 0.44572367246356626
Energy: 0.4481453462214137
Energy: 0.4061168576193847
Energy: 0.4083266348801288
Energy: 0.40822834911098294
Energy: 0.4108141638364906
Energy: 0.4077846608688194
Energy: 0.44587968336799333
Energy: 0.4412193969293161
Energy: 0.4479409112985611
Energy: 0.44953830829464325
Energy: 0.44170811835845797
Energy: 0.4466656101605152
Energy: 0.44659272233787456
Energy: 0.44545480355646905
Energy: 0.4125770500658474
Energy: 0.408332482097485
Energy: 0.4458589368906006
Energy: 0.4097057683010229
Energy: 0.446520889565407
Energy: 0.43724522261947446
Energy: 0.408049680043717
Energy: 0.40847022806134
Energy: 0.41309994509304826
Energy: 0.41880259805092834
Energy: 0.4618303820694443
Energy: 0.4373816922074448
Energy: 0.412235392136671
Energy: 0.40859268115092456
Energy: 0.4129456712777414
Energy: 0.40929768872293204
Energy: 0.40772377925151737
Energy: 0.4429195303417727
Energy: 0.4371150151726672
Energy: 0.41058280678908865
Energy: 0.41051591983925323
Energy: 0.40881869873083865
Energy: 0.4077617402884714
Energy: 0.4074288394844065
Energy: 0.4077867466392765
Energy: 0.4078994076176891
Energy: 0.40748664283371444
Energy: 0.41652170132507005
Energy: 0.40800538603506875
Energy: 0.4107072351818328
Energy: 0.44843913429696025
Energy: 0.40802391431099483
Energy: 0.4114663534658543
Energy: 0.41257521839659
Energy: 0.40789470063715805
Energy: 0.39786738484034573
Energy: 0.4484916390736528
Energy: 0.448681852994331
Energy: 0.3981146435310847
Energy: 0.43721560278727195
Energy: 0.39634921156704783
Energy: 0.398133077912899
Energy: 0.4489917612988235
Energy: 0.4497026359366458
Energy: 0.3987796075968938
Energy: 0.44457116660204854
Energy: 0.4283713939118723
Energy: 0.41344080116911147
Energy: 0.4534506050459857
Energy: 0.4466546918142625
Energy: 0.4128123258560461
Energy: 0.4157731386661472
Energy: 0.45053585980061567
Energy: 0.5198496822428659
Energy: 0.4164506556828465
Energy: 0.41580493432243465
Energy: 0.44775822902729545
Energy: 0.39833385922124315
Energy: 0.4520475980313066
Energy: 0.5170358643283551
Energy: 0.44239724993107044
Energy: 0.41262639390294403
Energy: 0.44442597705159237
Energy: 0.44568438309007874
Energy: 0.47774622703933245
Energy: 0.4435702583925846
Energy: 0.44741169941324593
Energy: 0.4182409873986604
Energy: 0.4168032599761188
Energy: 0.44817646255086596
Energy: 0.4133060872080162

minimum gb energy = 0.39634921156704783 eV
minimum distance =  2.6548767710328 Angstroms
sigma value = 41


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

Energy: 0.6815142032065036
Energy: 0.5371333488362158
Energy: 0.5377116357292117
Energy: 0.47439309375074934
Energy: 0.5406180996647867
Energy: 0.4763675928708807
Energy: 0.516044960764056
Energy: 0.503104643619044
Energy: 0.4842162573071199
Energy: 0.5004935410068956
Energy: 0.5019052892211645
Energy: 0.4836143747320213
Energy: 0.575973557220373
Energy: 0.47356554211580376
Energy: 0.4720565708819303
Energy: 0.5001925335955686
Energy: 0.49616396547844377
Energy: 0.47170066800822047
Energy: 0.50364438449196
Energy: 0.4737084702353476
Energy: 0.4722139233397927
Energy: 0.5038013542885736
Energy: 0.47516273369219797
Energy: 0.4919000995332114
Energy: 0.4920935821611393
Energy: 0.4850649759042552
Energy: 0.47406659803769147
Energy: 0.4919468823753449
Energy: 0.503287538753289
Energy: 0.47366677100977556
Energy: 0.5105632630543379
Energy: 0.5098030183691419
Energy: 0.4736847294294925
Energy: 0.47461525234506935
Energy: 0.5217392349718436
Energy: 0.47356394681660535
Energy: 0.49150099720521284
Energy: 0.48455665548612925
Energy: 0.4746891159570866
Energy: 0.4916395301498845
Energy: 0.505267066814818
Energy: 0.47503669139634475
Energy: 0.49329616356708944
Energy: 0.47431376523018515
Energy: 0.4738244644947091
Energy: 0.49411924660809725
Energy: 0.47533861028492796
Energy: 0.476179791203815
Energy: 0.5381381366834862
Energy: 0.47429777727192696
Energy: 0.47368624512904517
Energy: 0.464781586776223
Energy: 0.48460986855408567
Energy: 0.47343376541788484
Energy: 0.509589027252987
Energy: 0.4954314881675502
Energy: 0.47479551250374746
Energy: 0.47633228622087176
Energy: 0.4918782003085702
Energy: 0.47291898497034596
Energy: 0.5043706909484152
Energy: 0.48240747247096033
Energy: 0.4752445049841394
Energy: 0.47576883880167486
Energy: 0.4642600976338285
Energy: 0.47518074848312136
Energy: 0.564980502231763
Energy: 0.4639308170634154
Energy: 0.4638051454321744
Energy: 0.5652796859704468
Energy: 0.46901510562369925
Energy: 0.5000086968050355
Energy: 0.578627120786438
Energy: 0.4963518480386489
Energy: 0.4819696572249608
Energy: 0.500648716062407
Energy: 0.49194152607921293
Energy: 0.4828270895025247
Energy: 0.4663042287139704
Energy: 0.50026960497972
Energy: 0.46982280779128355
Energy: 0.46625521047600016
Energy: 0.4998201592907436
Energy: 0.46429370318787305

minimum gb energy = 0.4638051454321744 eV
minimum distance =  2.66591484127605 Angstroms
sigma value = 11


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

Energy: 0.5403805008233078
Energy: 0.6443088160370611
Energy: 0.6026777817290175
Energy: 0.5708879774004413
Energy: 0.5684663900865333
Energy: 0.562523090487452
Energy: 0.6256625445067677
Energy: 0.5475044611947686
Energy: 0.5530009739074412
Energy: 0.5700953730979906
Energy: 0.5475659087812071
Energy: 0.5688800070796791
Energy: 0.6147972289928775
Energy: 0.5388447469656243
Energy: 0.5502348588539073
Energy: 0.5619270373705354
Energy: 0.5388344802038876
Energy: 0.5573899241085956
Energy: 0.5710722036267794
Energy: 0.5388027391620629
Energy: 0.5393903690916686
Energy: 0.5519659580643597
Energy: 0.5406982368508791
Energy: 0.5653691735660381
Energy: 0.5608055912425568
Energy: 0.5475384688692043
Energy: 0.5567544220021962
Energy: 0.5650281535311149
Energy: 0.5469418849120817
Energy: 0.5672789578880392
Energy: 0.5652897783284017
Energy: 0.5552308375230784
Energy: 0.5584089862098925
Energy: 0.5486606323796634
Energy: 0.5627315310328733
Energy: 0.5596728418640835
Energy: 0.5607735062148304
Energy: 0.5572400872732001
Energy: 0.5574679833341437
Energy: 0.5594411574686321
Energy: 0.553654787023824
Energy: 0.5616721614404303
Energy: 0.5594476527542035
Energy: 0.5556470272584467
Energy: 0.5679505813765313
Energy: 0.5470841913496538
Energy: 0.5653258937692202
Energy: 0.5673157877862225
Energy: 0.5483474125156238
Energy: 0.5654870661502598
Energy: 0.5655868052733513
Energy: 0.5384915058869304
Energy: 0.5611706029160728
Energy: 0.5413199062079123
Energy: 0.5471825702355283
Energy: 0.5652121528733525
Energy: 0.5659021343655221
Energy: 0.5509882077573882
Energy: 0.56149764090308
Energy: 0.5414623968154999
Energy: 0.5597383132612034
Energy: 0.5520176112629229
Energy: 0.5681149358357945
Energy: 0.5471118963561923
Energy: 0.5577378631483507
Energy: 0.5574984538245381
Energy: 0.5499059371222399
Energy: 0.5624426395946497
Energy: 0.5630095338848694
Energy: 0.5502669545291394
Energy: 0.5493241922562482
Energy: 0.562773146129792
Energy: 0.5467327187982747
Energy: 0.5648815394681141
Energy: 0.5640011677280596
Energy: 0.5469009653594696
Energy: 0.5603353678997166
Energy: 0.560577320523982
Energy: 0.5565772074208398
Energy: 0.5626148579873642
Energy: 0.5652394335833222
Energy: 0.5397935244541524
Energy: 0.5818313127012267
Energy: 0.5576675394066837
Energy: 0.5390354630384505
Energy: 0.5644583686404121
Energy: 0.5637468904065975
Energy: 0.5395186762290507
Energy: 0.5611877735090017
Energy: 0.5627622856729187
Energy: 0.5394425100850161
Energy: 0.564745055875296
Energy: 0.5639091683255603
Energy: 0.5404112250294789
Energy: 0.5634797315222433
Energy: 0.5394601418637619
Energy: 0.5388728477982229
Energy: 0.5574297110635298
Energy: 0.5647448054419201
Energy: 0.5390611290763482
Energy: 0.5579798548324431
Energy: 0.557992944871684
Energy: 0.5857641826064901
Energy: 0.586291815919387
Energy: 0.5810459554795337
Energy: 0.5662471401437119
Energy: 0.5852915439809798
Energy: 0.5628113060748297
Energy: 0.5505421886579204
Energy: 0.5571508285177279
Energy: 0.5647667984522015
Energy: 0.5507034295716486
Energy: 0.5545682769265543
Energy: 0.5639656392278866
Energy: 0.5720147405507143
Energy: 0.540002475436894
Energy: 0.540139733426504
Energy: 0.5598048599387393
Energy: 0.540084352074507
Energy: 0.5656402488185677
Energy: 0.6013422691749224
Energy: 0.5396613713801691
Energy: 0.5593403790074405
Energy: 0.5591116361413203
Energy: 0.5486756262494605
Energy: 0.5654968890181135
Energy: 0.553748641009106
Energy: 0.5619049287887599
Energy: 0.5645159742362056
Energy: 0.5700976689375905
Energy: 0.5583927354245166
Energy: 0.5639325979423405
Energy: 0.5441786141364552
Energy: 0.5573561946727472
Energy: 0.5561873738477563
Energy: 0.5383197595199745
Energy: 0.5572680848279398
Energy: 0.5635052176971577
Energy: 0.6024936098878156
Energy: 0.5632256369208747
Energy: 0.556534361218707
Energy: 0.5534110592003101
Energy: 0.558044546451281
Energy: 0.5646750105606765
Energy: 0.6040285808482305
Energy: 0.5617186727606001
Energy: 0.5574911379362621
Energy: 0.5852997530168687
Energy: 0.5608021894378579
Energy: 0.5595258907908228
Energy: 0.5913578540496643
Energy: 0.5548047689385188
Energy: 0.5396228808342522
Energy: 0.5546487746972486
Energy: 0.5398952469147197
Energy: 0.5637378401061115
Energy: 0.6042606430125523
Energy: 0.5391300427762946
Energy: 0.5391866102977867
Energy: 0.5604997999067768
Energy: 0.5410230516252397
Energy: 0.5632836706915973
Energy: 0.5905225783040067
Energy: 0.5398862125333096
Energy: 0.5617994817591462
Energy: 0.5606246180856366
Energy: 0.5501053718113817
Energy: 0.5633919060862574
Energy: 0.5899761356207383
Energy: 0.554620644862764
Energy: 0.5531504605421221
Energy: 0.5731942312137481
Energy: 0.565548925017315
Energy: 0.5580716375232523
Energy: 0.6517982796926901
Energy: 0.5470004360901914
Energy: 0.5599628475404396
Energy: 0.5574373042330906
Energy: 0.5467214327347335
Energy: 0.5633484101217318
Energy: 0.5411698617814892
Energy: 0.5526081762758325
Energy: 0.5630030946540725
Energy: 0.5404837938089927
Energy: 0.5511322322999426
Energy: 0.5666875200189664

minimum gb energy = 0.5383197595199745 eV
minimum distance =  2.65748706478012 Angstroms
sigma value = 57


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

Energy: 0.7813156741771428
Energy: 0.5255234352964103
Energy: 0.5249548195581506
Energy: 0.5652491387520715
Energy: 0.8435639466796176
Energy: 0.5251659183064136
Energy: 0.5252372839593784
Energy: 0.5397475797815057
Energy: 0.5374501096052399
Energy: 0.5391173751384175
Energy: 0.5411318910376129
Energy: 0.5369645317145048
Energy: 0.557300557806144
Energy: 0.5355617544565416
Energy: 0.5359723976413574
Energy: 0.5997865875539127
Energy: 0.5494645202527386
Energy: 0.5384265283627949
Energy: 0.5497614989010737
Energy: 0.5389781005181481
Energy: 0.5370703164882401
Energy: 0.5495749867207862
Energy: 0.5481760008913452
Energy: 0.5371920249993536
Energy: 0.5489768285140109
Energy: 0.5392234008582591
Energy: 0.5380107501857265
Energy: 0.5388383354141083
Energy: 0.5403465707532836
Energy: 0.5368479391374643
Energy: 0.5501807501496235
Energy: 0.5582434510726735
Energy: 0.5376363009084751
Energy: 0.5395322276192264
Energy: 0.5388710655843705
Energy: 0.5376486094128519
Energy: 0.5524832582499268
Energy: 0.5674781803735388
Energy: 0.5251561252342409
Energy: 0.5535507340570184
Energy: 0.5688509460658888
Energy: 0.5571680230342518
Energy: 0.6037712471171472
Energy: 0.5395719833428584
Energy: 0.5374749849115369
Energy: 0.5409859895144629
Energy: 0.5382259974711205
Energy: 0.5370988033967126
Energy: 0.5245103264538324
Energy: 0.5396784811419555
Energy: 0.525815895125558
Energy: 0.5277897771508496
Energy: 0.5497060122883494
Energy: 0.5254772174779324
Energy: 0.5528471719121003
Energy: 0.5394289176654326
Energy: 0.5258503137987349
Energy: 0.5273561615972256
Energy: 0.548907590866557
Energy: 0.5254679897716261
Energy: 0.6035125908453467
Energy: 0.5491477024878647
Energy: 0.5383213425020154
Energy: 0.5387432784446375
Energy: 0.5378380253639647
Energy: 0.5372850675816958
Energy: 0.550598374948648
Energy: 0.5351620522288392
Energy: 0.5491918530405453
Energy: 0.5500605702378444
Energy: 0.5395119136985163
Energy: 0.5384448350467498
Energy: 0.5531499214559433
Energy: 0.5380872480927887
Energy: 0.5381464855329697
Energy: 0.5400576775388506
Energy: 0.5391849480122014
Energy: 0.536734803008756
Energy: 0.5499691655855188
Energy: 0.6005392258596082
Energy: 0.549610840790136
Energy: 0.5389726648924237
Energy: 0.5527654011581139
Energy: 0.538124273893511
Energy: 0.5608670601918296
Energy: 0.5251650135499264
Energy: 0.5372658650896608
Energy: 0.5589402292295987
Energy: 0.5665083791694394
Energy: 0.536915077373059
Energy: 0.5981184474845117
Energy: 0.5250938972821696
Energy: 0.5246984119113344
Energy: 0.5497705215848182
Energy: 0.5671291441299471
Energy: 0.5378163856935816
Energy: 0.5252934585312016
Energy: 0.5396623453753446
Energy: 0.5378276981407651
Energy: 0.5245903181692504
Energy: 0.5419533004721059
Energy: 0.5376154626247115

minimum gb energy = 0.5245103264538324 eV
minimum distance =  2.67148958325881 Angstroms
sigma value = 9


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

Energy: 0.9701260805085419
Energy: 0.6255832332948903
Energy: 0.6472736272058471
Energy: 0.6063443452513221
Energy: 0.6026666258058014
Energy: 0.6467477207842237
Energy: 0.6520640526152
Energy: 0.5981775811810528
Energy: 0.5853465568323006
Energy: 0.5830441826125692
Energy: 0.5980021304556934
Energy: 0.5876342120558142
Energy: 0.6068313634165375
Energy: 0.590122438030083
Energy: 0.5925443295008693
Energy: 0.6072820667914116
Energy: 0.5829581132666302
Energy: 0.5906209874976562
Energy: 0.591723022762514
Energy: 0.5934830315830335
Energy: 0.5883574656907671
Energy: 0.5929767072113008
Energy: 0.5833602671710797
Energy: 0.5927279365271644
Energy: 0.5830304115931183
Energy: 0.572465589539945
Energy: 0.5734084032820853
Energy: 0.5696601392050507
Energy: 0.5798727146784716
Energy: 0.5700435606617109
Energy: 0.5842612140330226
Energy: 0.5834825716770718
Energy: 0.581734440908021
Energy: 0.5899325382450109
Energy: 0.5852755796659763
Energy: 0.5815136470443095
Energy: 0.5890397010450243
Energy: 0.5816610989753579
Energy: 0.5972623175576011
Energy: 0.5894878948716317
Energy: 0.5842951170272144
Energy: 0.611641993130621
Energy: 0.5994141917254941
Energy: 0.5838182011120274
Energy: 0.5843338822516954
Energy: 0.5924254305680525
Energy: 0.5819567311480841
Energy: 0.5848252191542667
Energy: 0.6115209231847031
Energy: 0.5732289016198837
Energy: 0.5751729861427836
Energy: 0.6025486769886319
Energy: 0.5809771885564957
Energy: 0.5905208693314019
Energy: 0.5988994299796593
Energy: 0.5735965077691298
Energy: 0.5752924513634505
Energy: 0.6023287461753162
Energy: 0.5805985481897881
Energy: 0.5697819687934229
Energy: 0.6001005490702179
Energy: 0.5798269886548257
Energy: 0.5876863499105721
Energy: 0.5827003008936044
Energy: 0.5817456307092863
Energy: 0.5773616599635681
Energy: 0.6053037157377863
Energy: 0.5885271016195744
Energy: 0.5890089602496041
Energy: 0.5959444905035962
Energy: 0.5841437548357978
Energy: 0.5870227521493605
Energy: 0.6158130278680081
Energy: 0.5839757543350262
Energy: 0.5854435532222731
Energy: 0.5853015589042141
Energy: 0.5831973695458834
Energy: 0.5805004517637825
Energy: 0.5954639501098827
Energy: 0.5887705694122491
Energy: 0.591217642196698
Energy: 0.5935813015061835
Energy: 0.5861204919141852
Energy: 0.592481693518008
Energy: 0.599696079039438
Energy: 0.5791070913058934
Energy: 0.5894208560523577
Energy: 0.5907384361528344
Energy: 0.5791470326895793
Energy: 0.5721339150770728
Energy: 0.5900501197228163
Energy: 0.5936493294286808
Energy: 0.5809426517343487
Energy: 0.5905877531103845
Energy: 0.5992840787863879
Energy: 0.5803218833576188
Energy: 0.6025309931357422
Energy: 0.5897537351693991
Energy: 0.5928220240810884
Energy: 0.6029337380277099
Energy: 0.5924288772157781
Energy: 0.5917609207311743
Energy: 0.6726137261594869
Energy: 0.584613236742761
Energy: 0.5731348849035011
Energy: 0.5746379796712768
Energy: 0.593334893921219
Energy: 0.5876910952978774
Energy: 0.5973926250347041
Energy: 0.5944236048149831
Energy: 0.5897545167485445
Energy: 0.5965244267905964
Energy: 0.5829545023928018
Energy: 0.5872530239359085
Energy: 0.5908667565688317
Energy: 0.594483824007461
Energy: 0.5908995820555266
Energy: 0.5698918324780229
Energy: 0.5953114196329414
Energy: 0.5871071467432643
Energy: 0.5931285200654021
Energy: 0.5980135944200622
Energy: 0.5850534499697642
Energy: 0.581375662403967
Energy: 0.596836357909304
Energy: 0.5892904254268285

minimum gb energy = 0.5696601392050507 eV
minimum distance =  2.62904660914495 Angstroms
sigma value = 27


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

Energy: 0.798303161527337
Energy: 0.588943143858949
Energy: 0.5900754411725081
Energy: 0.5714434224145001
Energy: 0.581489974083797
Energy: 0.5686884037997801
Energy: 0.5841132187750087
Energy: 0.5775572295444638
Energy: 0.5884370081352355
Energy: 0.5888941186400385
Energy: 0.57732642186187
Energy: 0.5413348202707675
Energy: 0.5872438574259766
Energy: 0.5668617518131732
Energy: 0.5672159919124702
Energy: 0.5429151926935591
Energy: 0.5866502314410842
Energy: 0.5867055106282281
Energy: 0.6046119447922601
Energy: 0.5424602389921186
Energy: 0.5413619341116879
Energy: 0.5637616623161523
Energy: 0.5854001876226418
Energy: 0.5415386831765985
Energy: 0.5958442884107567
Energy: 0.5423940958311357
Energy: 0.5422150905661114
Energy: 0.5955796709964515
Energy: 0.615463438403913
Energy: 0.5653847321779306
Energy: 0.61863625435756
Energy: 0.5423252293007239
Energy: 0.5640873776780588
Energy: 0.5877921943484739
Energy: 0.5689676334195598
Energy: 0.5643298658839884
Energy: 0.5741740085087419
Energy: 0.5672844293011949
Energy: 0.5661205639427094
Energy: 0.5620518549214785
Energy: 0.5678304498479173
Energy: 0.5667487584810718
Energy: 0.6081366603059348
Energy: 0.5793579216400216
Energy: 0.6059991301971809
Energy: 0.5649107662285436
Energy: 0.5824078137427834
Energy: 0.604193395927599
Energy: 0.6760945333684607
Energy: 0.5675293499556903
Energy: 0.544556401082491
Energy: 0.5657049053687295
Energy: 0.5412674626795105
Energy: 0.5413060506414399
Energy: 0.5947153055592663
Energy: 0.5453217532697717
Energy: 0.5447590076829452
Energy: 0.5666734287998979
Energy: 0.5461668826745424
Energy: 0.5424341085277885
Energy: 0.6094215298686158
Energy: 0.6079767070514283
Energy: 0.5693308013436241
Energy: 0.5971486211744326
Energy: 0.5714698740793551
Energy: 0.5666709648506202
Energy: 0.5424333708485414
Energy: 0.5411049315132327
Energy: 0.5452226011852426
Energy: 0.5427654493052981
Energy: 0.5408720012703359
Energy: 0.5441655044764129
Energy: 0.5675859218089229
Energy: 0.5446788670261203
Energy: 0.5449621704265266
Energy: 0.5667478014389705
Energy: 0.5411194268671182
Energy: 0.5447255854204683
Energy: 0.5651808565235608
Energy: 0.5418260323610204
Energy: 0.5408809740404396
Energy: 0.5421948100127487
Energy: 0.5395420979765276
Energy: 0.5412430264082013
Energy: 0.5419017491200093
Energy: 0.5445630685472468
Energy: 0.5422952460514486
Energy: 0.542488380129287
Energy: 0.5423965024823508
Energy: 0.5434783527972904
Energy: 0.5960321116951662
Energy: 0.5434145333857733
Energy: 0.5425297722863114
Energy: 0.5409429625554681
Energy: 0.545326920684312
Energy: 0.5431667890713815
Energy: 0.5939609639526392
Energy: 0.5599158832954244
Energy: 0.5594589671625353
Energy: 0.6034897482440342
Energy: 0.5620348026700858
Energy: 0.5594001062074693
Energy: 0.6196231914830881
Energy: 0.5834219177904898
Energy: 0.5421790383046806
Energy: 0.5668294899800157
Energy: 0.5830793190310415
Energy: 0.5641641355991115
Energy: 0.6023305711207187
Energy: 0.5668803940921574
Energy: 0.5699405205359522
Energy: 0.6038172735658816
Energy: 0.5658030613734395
Energy: 0.5688390350511762
Energy: 0.577511164223019
Energy: 0.5668484852858886
Energy: 0.5698102324545495
Energy: 0.577876102893816
Energy: 0.5659000556946704
Energy: 0.568634870131413
Energy: 0.6689926596256601
Energy: 0.5443409934542144
Energy: 0.5421559764197461
Energy: 0.5656149066989417
Energy: 0.5832003007255806
Energy: 0.5641719893557277
Energy: 0.5920795406933781
Energy: 0.6111607801380049
Energy: 0.5896858414087582
Energy: 0.5915745985066425
Energy: 0.611864816446789
Energy: 0.5870112100518126
Energy: 0.6186305525638105
Energy: 0.5639012872815918
Energy: 0.6024549564284113
Energy: 0.5999165221013099
Energy: 0.6005280814024581
Energy: 0.5462377540734452
Energy: 0.5749026960703645
Energy: 0.5858495917649255
Energy: 0.5413022669625642
Energy: 0.5691659442485515
Energy: 0.5848742935261269
Energy: 0.5410816985454411
Energy: 0.6238642612398528
Energy: 0.5850618265919093
Energy: 0.6148085538864568
Energy: 0.5712819736836873
Energy: 0.6205682577343292
Energy: 0.5715677589774018

minimum gb energy = 0.5395420979765276 eV
minimum distance =  2.63516983531322 Angstroms
sigma value = 19


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

Energy: 0.5985123227672324
Energy: 0.5463273895370593
Energy: 0.5521231066597967
Energy: 0.5671450221788081
Energy: 0.5536051751917773
Energy: 0.5520447924410632
Energy: 0.5740062452218025
Energy: 0.5639271548100391
Energy: 0.5599910855456377
Energy: 0.5800888014494867
Energy: 0.5666031608011359
Energy: 0.5602413271500704
Energy: 0.5778259371752203
Energy: 0.5594339333873504
Energy: 0.5611945248802207
Energy: 0.5700681270486662
Energy: 0.5594871518474928
Energy: 0.5603963155189557
Energy: 0.5765175693070363
Energy: 0.5664038536702777
Energy: 0.5666243699467824
Energy: 0.5626354062155796
Energy: 0.5668370677960619
Energy: 0.5668545880139254
Energy: 0.5819778918765005
Energy: 0.5629143267242788
Energy: 0.5615690489612296
Energy: 0.5644168744255595
Energy: 0.5756883697694969
Energy: 0.5609837614492904
Energy: 0.5844230597443782
Energy: 0.5794677556376289
Energy: 0.5798846441370873
Energy: 0.5769580413203417
Energy: 0.5674005819427668
Energy: 0.5795887646539849
Energy: 0.57829408869821
Energy: 0.5628793376389969
Energy: 0.5616308711703473
Energy: 0.5749111671290926
Energy: 0.5656273705414
Energy: 0.560108142546315
Energy: 0.5764130606513116
Energy: 0.565076376719748
Energy: 0.5588659155515876
Energy: 0.5624254920811228
Energy: 0.5661949112485468
Energy: 0.5640695873270569
Energy: 0.5757269686513022
Energy: 0.5593739859655429
Energy: 0.5637237062895303
Energy: 0.5708231565907611
Energy: 0.5616284792216283
Energy: 0.5641718468811343
Energy: 0.5814080071360233
Energy: 0.565942705778916
Energy: 0.5653501409278804
Energy: 0.5722278410386632
Energy: 0.5671915960826767
Energy: 0.5656584813231501
Energy: 0.577914398965682
Energy: 0.553880614303987
Energy: 0.5530852052821126
Energy: 0.5751878322956182
Energy: 0.555711114174893
Energy: 0.5537861771834042
Energy: 0.5727462629495579
Energy: 0.5647323366917609
Energy: 0.5522765030840441
Energy: 0.5527148327493613
Energy: 0.5586986465516207
Energy: 0.5526741465336238
Energy: 0.590153402305385
Energy: 0.5588616987309725
Energy: 0.5613642301043238
Energy: 0.5595387260970558
Energy: 0.5596568167899456
Energy: 0.5625748726768717
Energy: 0.60174346971162
Energy: 0.5710671836065638
Energy: 0.570200905856693
Energy: 0.5514209725426856
Energy: 0.5719726656504673
Energy: 0.5647076477429844
Energy: 0.5725941863480604
Energy: 0.5530214287428843
Energy: 0.5574242994587205
Energy: 0.557929216814555
Energy: 0.5527511262413825
Energy: 0.5570235312814011
Energy: 0.5823881477457542
Energy: 0.5522137592328662
Energy: 0.5524026082994064
Energy: 0.5585426585308664
Energy: 0.5571259256188964
Energy: 0.5525053523313582
Energy: 0.5756806272774516
Energy: 0.5632121678802064
Energy: 0.5654910212878574
Energy: 0.5528914016809314
Energy: 0.5661152419208069
Energy: 0.5665213090664184
Energy: 0.5885129089799658
Energy: 0.5518541824767654
Energy: 0.5518828649803974
Energy: 0.5542502191659713
Energy: 0.5499402921280497
Energy: 0.5519875818454304
Energy: 0.5834682357937144
Energy: 0.5668687762835185
Energy: 0.5668969740143524
Energy: 0.5719088877266078
Energy: 0.5586467313374605
Energy: 0.5569107588238323
Energy: 0.5690545708242697
Energy: 0.5540320314765158
Energy: 0.5538628782387869
Energy: 0.554032359263086
Energy: 0.5542273590964655
Energy: 0.5586196624788814
Energy: 0.5618539698112338
Energy: 0.5519514231330135
Energy: 0.5529295531887206
Energy: 0.5600710265304859
Energy: 0.5494714981041634
Energy: 0.5545015600781957
Energy: 0.5593999300304645
Energy: 0.5521428240999671
Energy: 0.5519512514653646
Energy: 0.5613680203513991
Energy: 0.5507873308165039
Energy: 0.5523674416770361
Energy: 0.5749491680218601
Energy: 0.5730232604865932
Energy: 0.5745931759314916
Energy: 0.5718680840296015
Energy: 0.5710998891319213
Energy: 0.5584870782079311
Energy: 0.5884707373841523
Energy: 0.5500673576491264
Energy: 0.5560232244928087
Energy: 0.5790202744078224
Energy: 0.549243216143657
Energy: 0.5582211880294321
Energy: 0.5862110198245357
Energy: 0.5504147571323142
Energy: 0.5539438928854997
Energy: 0.5618633555587096
Energy: 0.5465749879202444
Energy: 0.5543748250011881
Energy: 0.5813416039158914
Energy: 0.5597994457065815
Energy: 0.5598768555324035
Energy: 0.5596093576220389
Energy: 0.5626487579608404
Energy: 0.5590255865511853
Energy: 0.5775700813545935
Energy: 0.5597118786854951
Energy: 0.5636226533563292
Energy: 0.56859206496502
Energy: 0.5593568755174138
Energy: 0.5632775598522964
Energy: 0.5779238849861651
Energy: 0.5598957539153929
Energy: 0.5596242333678454
Energy: 0.5594631881107583
Energy: 0.5605010472712993
Energy: 0.5595122620850601
Energy: 0.5866380497549122
Energy: 0.58132383647309
Energy: 0.5900310147435422
Energy: 0.5516781525670593
Energy: 0.5849796863913248
Energy: 0.56094503034289

minimum gb energy = 0.5463273895370593 eV
minimum distance =  2.63580380919391 Angstroms
sigma value = 101


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

Energy: 0.8449624313774589
Energy: 0.5491028606673346
Energy: 0.5485280724427251
Energy: 0.5350972250949756
Energy: 0.546134941574644
Energy: 0.5305537458717436
Energy: 0.5951686788612278
Energy: 0.5431858188242418
Energy: 0.5446192621379851
Energy: 0.5517762212668029
Energy: 0.5444272168617759
Energy: 0.5440734545624147
Energy: 0.5706264137495479
Energy: 0.5390331275240093
Energy: 0.5419528622852664
Energy: 0.5417649431943399
Energy: 0.5403932605523318
Energy: 0.5425742208939006
Energy: 0.5624297027700478
Energy: 0.5437045544900082
Energy: 0.5437286409440193
Energy: 0.5476144058198016
Energy: 0.5431992196304365
Energy: 0.5436799058410277
Energy: 0.5532680810276529
Energy: 0.5417680242518628
Energy: 0.5437729609253762
Energy: 0.5482571531006288
Energy: 0.5604090069029286
Energy: 0.546895574112208
Energy: 0.5511082314561249
Energy: 0.5455977476110777
Energy: 0.5430035885437771
Energy: 0.5565462062184557
Energy: 0.5515221869228164
Energy: 0.5458682218282684
Energy: 0.5613902191576172
Energy: 0.5375059251568753
Energy: 0.539192047401129
Energy: 0.5572230178015092
Energy: 0.5383508023841488
Energy: 0.5421757811256186
Energy: 0.5619633609401699
Energy: 0.5414842900027584
Energy: 0.5417593869503463
Energy: 0.554962434344535
Energy: 0.547912607072992
Energy: 0.5565683400427143
Energy: 0.5430624008040372
Energy: 0.5439146929695058
Energy: 0.5408295062458507
Energy: 0.5408983815966253
Energy: 0.5395834617490171
Energy: 0.5390701937978426
Energy: 0.5510428270078684
Energy: 0.5519001760881524
Energy: 0.5505070302016678
Energy: 0.5443211402656766
Energy: 0.5422328625161744
Energy: 0.5505133031358057
Energy: 0.568556680463214
Energy: 0.531243124031573
Energy: 0.5387430460512211
Energy: 0.5588038703529503
Energy: 0.5315496925007477
Energy: 0.5357100803372223
Energy: 0.5685993513943329
Energy: 0.53965839989028
Energy: 0.5467878290506425
Energy: 0.5514239729125909
Energy: 0.541371763188808
Energy: 0.5472619002511376
Energy: 0.5531871094794063
Energy: 0.5400956704297935
Energy: 0.5441894106720201
Energy: 0.5396683487489266
Energy: 0.5393534800658649
Energy: 0.5419376137290903
Energy: 0.5580331537023964
Energy: 0.546502063310399
Energy: 0.545130242872151
Energy: 0.5410231234341942
Energy: 0.5433007040201557
Energy: 0.5431753827555875
Energy: 0.5681878749131287
Energy: 0.5402155836894661
Energy: 0.5399722779098497
Energy: 0.5426222487293195
Energy: 0.540491823508524
Energy: 0.5409554121794564
Energy: 0.5678345079294063
Energy: 0.5433072032288504
Energy: 0.5447122204386059
Energy: 0.5448652616239887
Energy: 0.5447526474814912
Energy: 0.5445732913781549
Energy: 0.5492140615979392
Energy: 0.5657468024320244
Energy: 0.5473740243533932
Energy: 0.5299470464813042
Energy: 0.5519201900552196
Energy: 0.5313479294290093
Energy: 0.5939464273889541
Energy: 0.5457278871115205
Energy: 0.5441704599326505
Energy: 0.54821644675295
Energy: 0.5476874959828205
Energy: 0.546420327409369
Energy: 0.5680092162109156
Energy: 0.5415560037823203
Energy: 0.5414977886021484
Energy: 0.5394561154005457
Energy: 0.5434672372037533
Energy: 0.5426136302410232
Energy: 0.5613866130674972
Energy: 0.5427802969561382
Energy: 0.5425712570405344
Energy: 0.5490877843572871
Energy: 0.5425034780911405
Energy: 0.5430855531114728
Energy: 0.5548247403906788
Energy: 0.539798093511663
Energy: 0.5424938261640531
Energy: 0.548678232740473
Energy: 0.5461018761540841
Energy: 0.5443783549868393
Energy: 0.5521611888906431
Energy: 0.5445253572102536
Energy: 0.5437350476575938
Energy: 0.5446179610988354
Energy: 0.5422893083395316
Energy: 0.5428050857741917
Energy: 0.5570084488330371
Energy: 0.5403959300809106
Energy: 0.5411332503464399
Energy: 0.5521913465147235
Energy: 0.5403632418324713
Energy: 0.5430185997510072
Energy: 0.5681202535307394
Energy: 0.5409307828899718
Energy: 0.5414956251637296
Energy: 0.5514236544030618
Energy: 0.5426197010472515
Energy: 0.5471567142160436
Energy: 0.5492490675788327
Energy: 0.545148789770932
Energy: 0.5438832817268241
Energy: 0.5416192273459606
Energy: 0.5398682749282387
Energy: 0.5427859068323385
Energy: 0.543684827140554
Energy: 0.5477122266861203
Energy: 0.5455814923775292
Energy: 0.5406922901289533
Energy: 0.5416010099088906
Energy: 0.5445628741688533
Energy: 0.5659787094276728
Energy: 0.5317621540239174
Energy: 0.532005083054415
Energy: 0.5494450732528596
Energy: 0.532395371666636
Energy: 0.5329779825360924
Energy: 0.5683153899680595
Energy: 0.5307093562431469
Energy: 0.5370447978376935
Energy: 0.5436062031752671
Energy: 0.5314713444513636
Energy: 0.5443884345809398
Energy: 0.5569626428395856
Energy: 0.5436142690016781
Energy: 0.54391751211011
Energy: 0.5385923399909671
Energy: 0.5433589665768767
Energy: 0.5427347937642725
Energy: 0.5547615041274214
Energy: 0.5459924692785886
Energy: 0.5444682753333064
Energy: 0.5392683530892477
Energy: 0.5483264841116986
Energy: 0.5435224952540177
Energy: 0.5683689657294518
Energy: 0.5431653657025985
Energy: 0.5426794570750172
Energy: 0.5427623097396486
Energy: 0.5400425395993674
Energy: 0.5432223529583692
Energy: 0.5681717053934138
Energy: 0.5458182898722731
Energy: 0.5447021973394411
Energy: 0.5394239845939433
Energy: 0.5414088311200588
Energy: 0.5448056544873472
Energy: 0.5518389099796247
Energy: 0.5460804932034634
Energy: 0.5324326000453725
Energy: 0.5285094572747504
Energy: 0.5399248743507488
Energy: 0.5313956191955592

minimum gb energy = 0.5285094572747504 eV
minimum distance =  2.62406422127281 Angstroms
sigma value = 33


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

Energy: 0.013463677305538357
Energy: 0.014780685260514367
Energy: 0.013961197066958043
Energy: 0.014840378044303956
Energy: 0.5548148437860224
Energy: 0.013977293611223643
Energy: 0.014036692287475722
Energy: 0.07087472294192367
Energy: 0.06966716814872899
Energy: 0.07190312423153093
Energy: 0.07085161925715726
Energy: 0.06956219565468795
Energy: 0.7482076611767045
Energy: 0.5536380332041113
Energy: 0.5528405845527009
Energy: 0.5542415234643012
Energy: 0.5553726207370008
Energy: 0.5525950937773801
Energy: 0.259760346579893
Energy: 0.0708747229415755
Energy: 0.06966716814872899
Energy: 0.07190312422710146
Energy: 0.07085161925682844
Energy: 0.06956219565230881

minimum gb energy = 0.013463677305538357 eV
minimum distance =  2.84949761641205 Angstroms
sigma value = 1