Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_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=4.1529443860054025
cohesive_energy=3.0334434765357696
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=[6.71130963686358e-20, 1.139753209541652e-19, 1.55652261081417e-19, 1.9319686723425598e-19, 2.2724632506002397e-19, 2.5823562551485196e-19, 2.8648840827880797e-19, 3.1225140855352796e-19, 3.3572650059489596e-19, 3.5707710641957994e-19, 3.76424991451764e-19, 3.93930373354848e-19, 4.09658941370826e-19, 4.2370682609773795e-19, 4.36157340720552e-19, 4.4707937883453e-19, 4.565370275050319e-19, 4.64586362914248e-19, 4.71281859067734e-19, 4.76668376911242e-19, 4.807923795671579e-19, 4.836939214513319e-19, 4.854082504497119e-19, 4.8597221662488e-19, 4.853569807974239e-19, 4.833446469451199e-19, 4.79646823273848e-19, 4.739366657502719e-19, 4.65783188859846e-19, 4.54684911316128e-19, 4.40023392938394e-19, 4.2103439547222594e-19, 3.9677263470356394e-19, 3.66063715159686e-19, 3.2742722563077597e-19, 2.7900143686812597e-19, 2.1840070786371e-19, 1.4254533469165318e-19, 4.7508542639684996e-20, -7.199797270803839e-20, -2.22923652501492e-19, -4.14665743352076e-19, -6.60114397150974e-19, -9.77249240084934e-19, -1.391665043882106e-18, -1.9406364479325e-18, -2.6780702872636798e-18, -3.69272874957588e-18, -5.1742935265683596e-18, -7.546796686195559e-18, -1.1555955320986439e-17, -1.8826376537816997e-17, -3.3316462015712997e-17, -6.63668024925186e-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: 0.008865165244923633
Energy: 0.2428528214733462
Energy: 0.009379067099028558
Energy: 0.008978753231255281
Energy: 0.24621851306606257
Energy: 0.009131075816447402
Energy: 0.24285282146128015
Energy: 0.07476162866837766
Energy: 0.0705141127458637
Energy: 0.08005792670963183
Energy: 0.06864826576884328
Energy: 0.07242875614333925
Energy: 0.009379067099028558
Energy: 0.07051411253404757
Energy: 0.07023325020605281
Energy: 0.009234168947885037
Energy: 0.06743998036163845
Energy: 0.06919872438899884
Energy: 0.008978753231017657
Energy: 0.08005792674122272
Energy: 0.009234168947885037
Energy: 0.009017932527941688
Energy: 0.08743364194986657
Energy: 0.009161051748229695
Energy: 0.24621851307257084
Energy: 0.06864813338746834
Energy: 0.06743998133564934
Energy: 0.08743364191805127
Energy: 0.07919620076007411
Energy: 0.06927756099144655
Energy: 0.009131075816447402
Energy: 0.07242875591434815
Energy: 0.06919872439294604
Energy: 0.009161051748229695
Energy: 0.06927822114723763
Energy: 0.009284073301944357

minimum gb energy = 0.008865165244923633 eV
minimum distance =  2.93102228994405 Angstroms
sigma value = 1


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

Energy: 0.7114558683780106
Energy: 0.7166035311112889
Energy: 0.5143167166276983
Energy: 0.49267077666226355
Energy: 0.7061221647513274
Energy: 0.5127660202829493
Energy: 0.6671961220872052
Energy: 0.5156991288301125
Energy: 0.5085636504868645
Energy: 0.49457861565415395
Energy: 0.5118309742125517
Energy: 0.4962892633524014
Energy: 0.6881977594660914
Energy: 0.5103539427946342
Energy: 0.4906457565717547
Energy: 0.49195905877949075
Energy: 0.513583211137484
Energy: 0.49990616863802495
Energy: 0.719313893264166
Energy: 0.4823880007516335
Energy: 0.5155731638886256
Energy: 0.5023112743632681
Energy: 0.47837284605492175
Energy: 0.5205110332040312
Energy: 0.6848410516804952
Energy: 0.4972886812375398
Energy: 0.4982868674124798
Energy: 0.4340864358982538
Energy: 0.5004313828642685
Energy: 0.49746317161404535
Energy: 0.6569411370481969
Energy: 0.49477905374953807
Energy: 0.49401829629700456
Energy: 0.4975061336387143
Energy: 0.4969042842509065
Energy: 0.49468658509338564
Energy: 0.6557407561469567
Energy: 0.4684523071574577
Energy: 0.5016588623645211
Energy: 0.5049518744246931
Energy: 0.45926014753036387
Energy: 0.5027753779268553
Energy: 0.6584547052829093
Energy: 0.4948715243643732
Energy: 0.49568043600882394
Energy: 0.4606623463619302
Energy: 0.49515354339632495
Energy: 0.5038657372499961
Energy: 0.5456807044588583
Energy: 0.4932544298203201
Energy: 0.49638173336586494
Energy: 0.4983359752406484
Energy: 0.4932365219707981
Energy: 0.4920138713445757
Energy: 0.5536361056352734
Energy: 0.4896291789483965
Energy: 0.4906309977772192
Energy: 0.485458395759969
Energy: 0.5001935675108492
Energy: 0.4976762218721971
Energy: 0.5938763810973565
Energy: 0.5010481881267226
Energy: 0.5052032326450093
Energy: 0.5225715078804095
Energy: 0.509467521186778
Energy: 0.5325992156275888
Energy: 0.5085768938347415
Energy: 0.4913034195560536
Energy: 0.49444488931021613
Energy: 0.5090522203454853
Energy: 0.4917157328756885
Energy: 0.5152030274898913
Energy: 0.5136032637497117
Energy: 0.49358298982521864
Energy: 0.49224340722060866
Energy: 0.5121710373152749
Energy: 0.4924971672715088
Energy: 0.48651847525455955
Energy: 0.5453732396865876
Energy: 0.5055106732040517
Energy: 0.49991909398883594
Energy: 0.49972378867409656
Energy: 0.5040132233409915
Energy: 0.5040507071855018
Energy: 0.5253460908061762
Energy: 0.49352772852082344
Energy: 0.491586433064071
Energy: 0.4931070899555229
Energy: 0.49784816847109686
Energy: 0.4903105038799132
Energy: 0.5239328759530029
Energy: 0.496394152379537
Energy: 0.48621303127108007
Energy: 0.50609050945696
Energy: 0.49795672544893677
Energy: 0.5070929377231573
Energy: 0.6377775043067735
Energy: 0.5070829224608184
Energy: 0.5012512834120284
Energy: 0.49452923086006495
Energy: 0.49883553324845903
Energy: 0.4975179374473301
Energy: 0.5951224782873832
Energy: 0.4351925578570649
Energy: 0.49998109787155415
Energy: 0.4939645860819886
Energy: 0.4621446630311796
Energy: 0.49963983892947433
Energy: 0.5955035256659136
Energy: 0.49230802763709575
Energy: 0.48945506837633496
Energy: 0.4979444648907823
Energy: 0.4973544677955579
Energy: 0.4891197122187548
Energy: 0.6772844485247015
Energy: 0.4942482562986474
Energy: 0.4910144173615928
Energy: 0.43849833267523414
Energy: 0.49882851898076397
Energy: 0.49413821790629636
Energy: 0.7072639420891008
Energy: 0.4866088787202082
Energy: 0.4983927782440558
Energy: 0.49889933691660326
Energy: 0.5083819844476791
Energy: 0.5106542724883331
Energy: 0.6864050224961692
Energy: 0.5047401939949251
Energy: 0.5082777696197909
Energy: 0.49205247382173967
Energy: 0.5045698689515196
Energy: 0.49544564282521925
Energy: 0.6888918884352033
Energy: 0.497452176696994
Energy: 0.5115190901074163
Energy: 0.5006570289151143
Energy: 0.4964211743216347
Energy: 0.4993674421795033

minimum gb energy = 0.4340864358982538 eV
minimum distance =  2.72235771762802 Angstroms
sigma value = 33


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

Energy: 0.7781644491032195
Energy: 0.7252836422169063
Energy: 0.5120193595573563
Energy: 0.6451807068219356
Energy: 0.7398709188863293
Energy: 0.5134716999740121
Energy: 0.6312189914319202
Energy: 0.5103385366686078
Energy: 0.5157731144172113
Energy: 0.5004352753255339
Energy: 0.5093094520921181
Energy: 0.5054649165573438
Energy: 0.6303006907447464
Energy: 0.5186500252572696
Energy: 0.5110233883442645
Energy: 0.5195557872449732
Energy: 0.5153419771429946
Energy: 0.48837324663223514
Energy: 0.6430509870826628
Energy: 0.5068929822298887
Energy: 0.5058431585187062
Energy: 0.5081921778169863
Energy: 0.5052201313660325
Energy: 0.5157043443824474
Energy: 0.6189325014243666
Energy: 0.5064671498281231
Energy: 0.5070238512956182
Energy: 0.5045014444727061
Energy: 0.5070572657385353
Energy: 0.508796233308503
Energy: 0.6489040095616441
Energy: 0.5058732539202286
Energy: 0.5083621263238902
Energy: 0.5051631558894555
Energy: 0.5052027535370004
Energy: 0.5113264870982008
Energy: 0.6464949069654207
Energy: 0.499486807393439
Energy: 0.492918332597082
Energy: 0.5085967967761136
Energy: 0.5110033630035484
Energy: 0.4938729081908553
Energy: 0.6116807587826004
Energy: 0.49637866239351264
Energy: 0.4933550050000104
Energy: 0.5049304304735857
Energy: 0.5001747646564222
Energy: 0.49867346902426984
Energy: 0.5380052511882862
Energy: 0.49535049837841655
Energy: 0.5007115381539199
Energy: 0.5063649483987083
Energy: 0.4996362113825685
Energy: 0.5088059857923884
Energy: 0.5428914028867273
Energy: 0.4966260041888969
Energy: 0.49491911527786525
Energy: 0.5093604811108831
Energy: 0.5019385297709192
Energy: 0.511245911760398
Energy: 0.5733034127936397
Energy: 0.4928945275760671
Energy: 0.49084327496383884
Energy: 0.5224539872515417
Energy: 0.49066865481933986
Energy: 0.48869902856035435
Energy: 0.510257891872703
Energy: 0.4947185375889424
Energy: 0.5095394475993866
Energy: 0.5083631947028648
Energy: 0.49557281034065653
Energy: 0.4959067633617476
Energy: 0.5132424846458307
Energy: 0.5012934467340296
Energy: 0.49995835580266645
Energy: 0.5095075470151877
Energy: 0.5026528420351021
Energy: 0.5226433021427239
Energy: 0.5703743335602383
Energy: 0.5105533476151488
Energy: 0.5097702098263129
Energy: 0.6156256987472121
Energy: 0.5009936003658957
Energy: 0.5188778201894422
Energy: 0.5425270084324596
Energy: 0.49846166414391146
Energy: 0.4953429011088263
Energy: 0.5069207789606346
Energy: 0.5043006958698458
Energy: 0.5115001462550735
Energy: 0.534037928678967
Energy: 0.4933902862500299
Energy: 0.4896516742694518
Energy: 0.504384465666535
Energy: 0.5009538191099933
Energy: 0.5090145274935566
Energy: 0.6337310049859102
Energy: 0.5052455166018313
Energy: 0.5053738297166663
Energy: 0.5170331352057224
Energy: 0.5053283178385602
Energy: 0.49920965771254033
Energy: 0.566502170762133
Energy: 0.502986866292938
Energy: 0.503459455763465
Energy: 0.4995803690126408
Energy: 0.5178075477144068
Energy: 0.49235876560776365
Energy: 0.569308946930281
Energy: 0.5071987469133752
Energy: 0.5087629467928095
Energy: 0.49993276761520894
Energy: 0.5073050913642998
Energy: 0.4885601976986435
Energy: 0.6139963209044584
Energy: 0.5069060106479287
Energy: 0.5092478166416078
Energy: 0.5034018782087727
Energy: 0.5073659311075006
Energy: 0.4973447340870087
Energy: 0.7223307707100899
Energy: 0.4995653584108323
Energy: 0.5000557036531773
Energy: 0.4943321333157246
Energy: 0.525332061977676
Energy: 0.4884266145029933
Energy: 0.6153740749797159
Energy: 0.5073874582171869
Energy: 0.5131368137678552
Energy: 0.4957440489564261
Energy: 0.5109421656854691
Energy: 0.510221234290376
Energy: 0.6129494181850533
Energy: 0.5144975770476248
Energy: 0.5096902224678596
Energy: 0.4986728342956569
Energy: 0.5112824278428217
Energy: 0.4912548871888598
Energy: 0.6687133620689598
Energy: 0.5086039991891016
Energy: 0.5045697846383506
Energy: 0.5053591037247778
Energy: 0.5162465489816335
Energy: 0.5076925308994176
Energy: 0.6155812475580007
Energy: 0.5120136124911965
Energy: 0.5134519523981209
Energy: 0.50462321691466
Energy: 0.5135196580076753
Energy: 0.5150715864405313
Energy: 0.6540417471273137
Energy: 0.5030784381690514
Energy: 0.505460080041975
Energy: 0.49819345216579336
Energy: 0.5029510141034723
Energy: 0.5103442195038685
Energy: 0.6433245135986418
Energy: 0.5023332280721485
Energy: 0.5021381756749221
Energy: 0.5083757734232739
Energy: 0.5086138395756042
Energy: 0.5025436565320598
Energy: 0.6163720706121523
Energy: 0.4959762246342075
Energy: 0.4921538921345642
Energy: 0.4986571233497481
Energy: 0.4996663391482535
Energy: 0.49253512778076136
Energy: 0.5384673259062247
Energy: 0.4962146863805243
Energy: 0.4935685473098801
Energy: 0.503488812771699
Energy: 0.5009928653331464
Energy: 0.5124691643111751
Energy: 0.5391370696939146
Energy: 0.4957376638775707
Energy: 0.49470606223823743
Energy: 0.510002675322761
Energy: 0.5063624300356891
Energy: 0.509578098674545
Energy: 0.605116861753499
Energy: 0.495100923474889
Energy: 0.4876807635270579
Energy: 0.603546156945495
Energy: 0.48939833658089715
Energy: 0.4989414037457253
Energy: 0.5245458357567669
Energy: 0.502684026249493
Energy: 0.5126553137962809
Energy: 0.5091096564703895
Energy: 0.49699684041232145
Energy: 0.5071157068992805
Energy: 0.5069738590910134
Energy: 0.4971016054259822
Energy: 0.49842547914891744
Energy: 0.5051975514760465
Energy: 0.5044922860789859
Energy: 0.5198760482876302
Energy: 0.5095098394791413
Energy: 0.5070570932695279
Energy: 0.5049704314226771
Energy: 0.5051862316636336
Energy: 0.5122544743509042
Energy: 0.5699913893765003
Energy: 0.5579305149326462
Energy: 0.49935825470283646
Energy: 0.4953659427435708
Energy: 0.5149959841443024
Energy: 0.5038498065522204
Energy: 0.5199313959948665
Energy: 0.5331722926508717
Energy: 0.5024950472043254
Energy: 0.5109501601306763
Energy: 0.5039774386596605
Energy: 0.5004377100008953
Energy: 0.5057224592274144
Energy: 0.5514235293262704
Energy: 0.5015809764149266
Energy: 0.5080307784072716
Energy: 0.5158038033850015
Energy: 0.509434396280482
Energy: 0.508422392360302
Energy: 0.5739102538356725
Energy: 0.48878116455340276
Energy: 0.4923157797025732
Energy: 0.4970058819402622
Energy: 0.49004291486942597
Energy: 0.5019635572982108
Energy: 0.5640428330788579
Energy: 0.5033329568787639
Energy: 0.5051945024438541
Energy: 0.49376113362756335
Energy: 0.504337426361586
Energy: 0.4917534105404038
Energy: 0.618467441958995
Energy: 0.5047964118698716
Energy: 0.5075295435644602
Energy: 0.5062020828218328
Energy: 0.5055813857606508
Energy: 0.49972010201498074
Energy: 0.7235152739101405
Energy: 0.4994440809037965
Energy: 0.49626852483811573
Energy: 0.48826652634420037
Energy: 0.5301759760914995
Energy: 0.47689153157189773

minimum gb energy = 0.47689153157189773 eV
minimum distance =  2.76143802045207 Angstroms
sigma value = 51


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

Energy: 0.7429694128660672
Energy: 0.504529234560163
Energy: 0.4857319322201126
Energy: 0.47296730405094334
Energy: 0.5183265997021251
Energy: 0.5426593060433073
Energy: 0.6057381761057261
Energy: 0.5215478117743858
Energy: 0.5262039546010063
Energy: 0.5017975178762639
Energy: 0.5264799267775052
Energy: 0.5048454481729016
Energy: 0.670145850986583
Energy: 0.521248906829717
Energy: 0.5200420880958374
Energy: 0.5007472744456588
Energy: 0.5194173291727956
Energy: 0.49292180608466984
Energy: 0.6747960314783537
Energy: 0.496760290648874
Energy: 0.49631610103167423
Energy: 0.4574419496846096
Energy: 0.48884349600863297
Energy: 0.5123543291817908
Energy: 0.6212382847281858
Energy: 0.5211206022397314
Energy: 0.519292721302407
Energy: 0.5029278091513645
Energy: 0.5223537265120786
Energy: 0.50605611604227
Energy: 0.5858226514363034
Energy: 0.5146591385054513
Energy: 0.5121199877372381
Energy: 0.5162382324443733
Energy: 0.518196112387528
Energy: 0.5127787289282193
Energy: 0.5904865494766083
Energy: 0.5125903215301127
Energy: 0.5078032919828956
Energy: 0.5168926069150297
Energy: 0.4750163367879832
Energy: 0.5169017589146413
Energy: 0.6021745552707324
Energy: 0.4447586085342712
Energy: 0.49028233922990083
Energy: 0.4834439862223364
Energy: 0.44105233642253305
Energy: 0.4978962559833525
Energy: 0.5236031782695969
Energy: 0.4749564130729455
Energy: 0.47411198219211825
Energy: 0.5235336768718147
Energy: 0.4779465018569417
Energy: 0.4925581969816652
Energy: 0.5214954571740088
Energy: 0.5287716149364531
Energy: 0.5138410534981577
Energy: 0.5208809755346013
Energy: 0.4974517918330522
Energy: 0.49738014931687796
Energy: 0.5811531927163371
Energy: 0.4870014098354333
Energy: 0.4865055965864211
Energy: 0.5820148287485721
Energy: 0.4879196826234678
Energy: 0.5270318797147797
Energy: 0.5533571886932547
Energy: 0.45896118579772416
Energy: 0.5209015863679679
Energy: 0.5114984419042198
Energy: 0.4990106024923865
Energy: 0.5202441587475284
Energy: 0.5351055530262548
Energy: 0.5118131864789068
Energy: 0.5106384777637647
Energy: 0.5209991002588847
Energy: 0.5088841319993312
Energy: 0.5228610931954452
Energy: 0.5543471569903875
Energy: 0.4908868096987281
Energy: 0.49272203926446884
Energy: 0.5321291031596186
Energy: 0.4877238390740703
Energy: 0.4887418561132135
Energy: 0.6208916949116619
Energy: 0.47010405370662794
Energy: 0.4733614964342825
Energy: 0.5066096556947112
Energy: 0.47497790296810016
Energy: 0.5139815510016329
Energy: 0.6087883136612324
Energy: 0.5296851910488024
Energy: 0.514518183596854
Energy: 0.5052236918830171
Energy: 0.5288718257920474
Energy: 0.504596153498701
Energy: 0.6248503548395964
Energy: 0.524407331121719
Energy: 0.5286549536879742
Energy: 0.5236562655519983
Energy: 0.5226509159424564
Energy: 0.5172761197443397
Energy: 0.7388722173800951
Energy: 0.5170868291757427
Energy: 0.5062467478803234
Energy: 0.4379998966228168
Energy: 0.517674667848953
Energy: 0.49627732554407394

minimum gb energy = 0.4379998966228168 eV
minimum distance =  2.74192650348537 Angstroms
sigma value = 19


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

Energy: 0.6592997266094337
Energy: 0.48424316161334086
Energy: 0.4679429324174838
Energy: 0.5181817124340854
Energy: 0.48354967273060445
Energy: 0.5533331240314535
Energy: 0.6069077313228676
Energy: 0.5062467969535341
Energy: 0.49542757445183494
Energy: 0.4863809284076413
Energy: 0.49400190422249063
Energy: 0.5070317602386689
Energy: 0.6123061315438109
Energy: 0.4951830684610165
Energy: 0.4954544407152289
Energy: 0.5316910060805545
Energy: 0.4944383502314358
Energy: 0.49322189352933243
Energy: 0.5734221915254542
Energy: 0.5322671136897539
Energy: 0.5294425615274349
Energy: 0.5319147870374702
Energy: 0.5591745346509678
Energy: 0.5286786722973363
Energy: 0.5851677468744825
Energy: 0.5053270606424088
Energy: 0.5084428702455919
Energy: 0.47268352582957707
Energy: 0.5022642241741583
Energy: 0.5128537835298043
Energy: 0.6035152055613665
Energy: 0.49865310647096317
Energy: 0.5480291758359609
Energy: 0.5603176013132517
Energy: 0.5007031433641477
Energy: 0.5552002914960893
Energy: 0.6036799016698923
Energy: 0.5553968260618006
Energy: 0.5500687234267462
Energy: 0.5605698198660779
Energy: 0.5252883914480949
Energy: 0.546827963572342
Energy: 0.5797973771137327
Energy: 0.4614492405104268
Energy: 0.5130104920282174
Energy: 0.5400636655710424
Energy: 0.4620699567435108
Energy: 0.49692501017086677
Energy: 0.5345125966679378
Energy: 0.46057510106947425
Energy: 0.4652267864725715
Energy: 0.5338734922538549
Energy: 0.46119329864971165
Energy: 0.4705026976900159
Energy: 0.532258984476381
Energy: 0.5516677851250593
Energy: 0.5459125454553734
Energy: 0.5332426418308023
Energy: 0.5807883988029782
Energy: 0.5336598150865397
Energy: 0.5344728636116719
Energy: 0.5293418619478903
Energy: 0.5292608315353827
Energy: 0.53395847463383
Energy: 0.5301098075641772
Energy: 0.5470880715955365
Energy: 0.5852186453227455
Energy: 0.5558048575930531
Energy: 0.5544517254455514
Energy: 0.5357655518639013
Energy: 0.580483759428342
Energy: 0.5518415967146015
Energy: 0.4974696153700109
Energy: 0.5540257719766931
Energy: 0.5644751345513892
Energy: 0.5001540274418419
Energy: 0.5551991170055859
Energy: 0.5642628757152348
Energy: 0.5864354828957765
Energy: 0.5571721053156726
Energy: 0.5563362266675068
Energy: 0.531933182660454
Energy: 0.561926084952033
Energy: 0.5574822806368829
Energy: 0.6371704265760566
Energy: 0.5404557888961128
Energy: 0.5238119059376862
Energy: 0.4617879667393462
Energy: 0.5332582728977977
Energy: 0.4632477640268714
Energy: 0.62599664227058
Energy: 0.54898086576988
Energy: 0.4619234906057143
Energy: 0.5120856429299006
Energy: 0.5356446834923502
Energy: 0.5129122697470117
Energy: 0.5836350960503716
Energy: 0.534700133196311
Energy: 0.5373861648417341
Energy: 0.5324449672187834
Energy: 0.5348511225013829
Energy: 0.537641480309877
Energy: 0.5754655280231555
Energy: 0.535088014116238
Energy: 0.5344141320357847
Energy: 0.527944522919916
Energy: 0.5343184316906816
Energy: 0.5355984508401336
Energy: 0.5799942958414123
Energy: 0.5303023929606042
Energy: 0.527030749679455
Energy: 0.5268727020709693
Energy: 0.5301317809436669
Energy: 0.5293485964136373
Energy: 0.6342843999338651
Energy: 0.4985181027933348
Energy: 0.5435513252208051
Energy: 0.570876749482271
Energy: 0.49825429709207203
Energy: 0.545453530253532
Energy: 0.5977892000500225
Energy: 0.5462178989893346
Energy: 0.5546605366640245
Energy: 0.5605950184101686
Energy: 0.5370039545758664
Energy: 0.5583682087060365
Energy: 0.6249231083654317
Energy: 0.5241001834309241
Energy: 0.5527499886493077
Energy: 0.5520953547260244
Energy: 0.5201487677388614
Energy: 0.5529533872261658
Energy: 0.5880968073464556
Energy: 0.5160238853254129
Energy: 0.46943269487844136
Energy: 0.5892770384657268
Energy: 0.5185116602595886
Energy: 0.5185642096348848
Energy: 0.5317293801402829
Energy: 0.5322881284401255
Energy: 0.5338188015952777
Energy: 0.5341251663813081
Energy: 0.4949205055745827
Energy: 0.5332751921187153
Energy: 0.5457384590927823
Energy: 0.5570259162129182
Energy: 0.5347781974884124
Energy: 0.5328371804215869
Energy: 0.5814325524070807
Energy: 0.5335458702833568
Energy: 0.5913486497787213
Energy: 0.5283239400830738
Energy: 0.5235487931725794
Energy: 0.5237293382977629
Energy: 0.5290901228292451
Energy: 0.49041319575705367
Energy: 0.6063865180831908
Energy: 0.5551338132073222
Energy: 0.5164088872662101
Energy: 0.49714170130456864
Energy: 0.5829320876976968
Energy: 0.5171916440556357
Energy: 0.5023215872455629
Energy: 0.5069214645329722
Energy: 0.5178202779042919
Energy: 0.5020818038369014
Energy: 0.5226098553900816
Energy: 0.5431049855117733
Energy: 0.5852556432369854
Energy: 0.5285265336407974
Energy: 0.5070991772760038
Energy: 0.49721125516018055
Energy: 0.5201067743032458
Energy: 0.5087776970806662
Energy: 0.6664785862815134
Energy: 0.5097954329922381
Energy: 0.47113328929295517
Energy: 0.4588973953286679
Energy: 0.5431602715232362
Energy: 0.48741114171246364

minimum gb energy = 0.4588973953286679 eV
minimum distance =  2.74743415073373 Angstroms
sigma value = 27


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

Energy: 0.5478281547408904
Energy: 0.5011256215932894
Energy: 0.6174959722191371
Energy: 0.49928041814843643
Energy: 0.7882432813797933
Energy: 0.6146831083902428
Energy: 0.5529853417911524
Energy: 0.48476206178811587
Energy: 0.47663695598461825
Energy: 0.46033868522407495
Energy: 0.48169434330269495
Energy: 0.4542756890203429
Energy: 0.5140991158700248
Energy: 0.4816141093158402
Energy: 0.4844653910567451
Energy: 0.426627319490259
Energy: 0.47933709641924266
Energy: 0.4396416736500332
Energy: 0.6958634217400606
Energy: 0.45902033821854804
Energy: 0.4475676655537611
Energy: 0.46044335974310957
Energy: 0.500251657297022
Energy: 0.4283872974508182
Energy: 0.5497276525200461
Energy: 0.4194939710511401
Energy: 0.419893883644139
Energy: 0.4737775636067087
Energy: 0.4947005813207049
Energy: 0.4207349745818213
Energy: 0.4827442981243765
Energy: 0.49653696725611074
Energy: 0.48275471781755563
Energy: 0.4748229459719728
Energy: 0.498941667369961
Energy: 0.4215576041753656
Energy: 0.4820871301690197
Energy: 0.44888664195476513
Energy: 0.4378181854962845
Energy: 0.4805588040840045
Energy: 0.45425753718473694
Energy: 0.45432357996294864
Energy: 0.4971746030901784
Energy: 0.5381687674159843
Energy: 0.4877707026183583
Energy: 0.4856391522541617
Energy: 0.4602574503062843
Energy: 0.5200316993956257
Energy: 0.5370010256878458
Energy: 0.4192784856034427
Energy: 0.45969157946548056
Energy: 0.48762670786632295
Energy: 0.453313966382333
Energy: 0.44241635119161155
Energy: 0.45619199737362315
Energy: 0.4460564557015631
Energy: 0.4360538126834822
Energy: 0.4811005024710735
Energy: 0.48971300794486794
Energy: 0.4507313851560296
Energy: 0.5119147997776925
Energy: 0.4831145156789703
Energy: 0.47983689444757754
Energy: 0.4477904808895687
Energy: 0.4814993143087725
Energy: 0.43820606458138084
Energy: 0.5083590585017128
Energy: 0.45586750511378227
Energy: 0.45803739528983395
Energy: 0.4592868275347365
Energy: 0.4881353094186818
Energy: 0.45487543538012115

minimum gb energy = 0.4192784856034427 eV
minimum distance =  2.75766910282607 Angstroms
sigma value = 9


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

Energy: 0.7744422575127017
Energy: 0.7341276340916901
Energy: 0.6358385231350827
Energy: 0.4481650880032469
Energy: 0.6294643607563764
Energy: 0.4530230493632606
Energy: 0.45625188825915036
Energy: 0.43658540303889565
Energy: 0.4226303088633921
Energy: 0.3982385069868909
Energy: 0.43176943228102266
Energy: 0.40641625379101026
Energy: 0.44093244421867334
Energy: 0.4213113097594271
Energy: 0.4281144799573391
Energy: 0.41060073156928706
Energy: 0.419697192131095
Energy: 0.41855924012418194
Energy: 0.5408847506066697
Energy: 0.39286421771521735
Energy: 0.3963615007814649
Energy: 0.40606021091522176
Energy: 0.4254547536034851
Energy: 0.4141163239815032
Energy: 0.4515665691786043
Energy: 0.40125731715643087
Energy: 0.42314772655839406
Energy: 0.41986894157251886
Energy: 0.3979721145575008
Energy: 0.39874347657168235
Energy: 0.42442878718516935
Energy: 0.40975678187494013
Energy: 0.4188581020541748
Energy: 0.4192057779830854
Energy: 0.4143495548732851
Energy: 0.42057151046122
Energy: 0.41956985726472357
Energy: 0.382633611675468
Energy: 0.3810460694523268
Energy: 0.41703515825905574
Energy: 0.39268953638088855
Energy: 0.4255835322767868
Energy: 0.43529353095407475
Energy: 0.4168732551618774
Energy: 0.3981616417054585
Energy: 0.416039406556081
Energy: 0.4135864389305463
Energy: 0.4186308240966623
Energy: 0.4474998800409358
Energy: 0.4054525333605537
Energy: 0.42583072051307713
Energy: 0.4105082013450343
Energy: 0.40059421176025656
Energy: 0.408419255014517
Energy: 0.6184957653631385
Energy: 0.4222095672777899
Energy: 0.4119052565492601
Energy: 0.38996036395732053
Energy: 0.45110022175034137
Energy: 0.4184351465981993
Energy: 0.4085713153543027
Energy: 0.42911862541029117
Energy: 0.4292438364362778
Energy: 0.39013359620058263
Energy: 0.42531348102001276
Energy: 0.4237194436216579
Energy: 0.5292656034390298
Energy: 0.4246787309853222
Energy: 0.43106379033981307
Energy: 0.3897855033468476
Energy: 0.4244972385286971
Energy: 0.3927749402825813
Energy: 0.6903708191665656
Energy: 0.42849966062595
Energy: 0.4366307993473156
Energy: 0.43076850252313387
Energy: 0.4175755810748731
Energy: 0.4380109479125746
Energy: 0.465959848734877
Energy: 0.41885348944979267
Energy: 0.4302818587063042
Energy: 0.38848410613252166
Energy: 0.4314644340164081
Energy: 0.4112261731681511
Energy: 0.4269193973839851
Energy: 0.41628717842574403
Energy: 0.41429413163929046
Energy: 0.41737321237964436
Energy: 0.41782664089297394
Energy: 0.41997085385122473
Energy: 0.4175703546366265
Energy: 0.41576473955598453
Energy: 0.40907186452385697
Energy: 0.41899881087407487
Energy: 0.4087660051312478
Energy: 0.418794757641536
Energy: 0.43686842598084796
Energy: 0.4013886151283796
Energy: 0.3898769512704146
Energy: 0.4237337743749925
Energy: 0.3983603876209974
Energy: 0.3997572043008894
Energy: 0.4920766357911165
Energy: 0.4137853823848605
Energy: 0.41807957842030735
Energy: 0.4225366228254965
Energy: 0.4238972495547164
Energy: 0.4163158045822426
Energy: 0.44877959437675496
Energy: 0.39691007367058945
Energy: 0.403240416544352
Energy: 0.42277411092414763
Energy: 0.41620243039138244
Energy: 0.42485657740986443
Energy: 0.43255762074667453
Energy: 0.41623580703841273
Energy: 0.41454090053591763
Energy: 0.4088068955613028
Energy: 0.4111735287329261
Energy: 0.40011867682598956
Energy: 0.46837909610816464
Energy: 0.42447417024223427
Energy: 0.42764560155986103
Energy: 0.42860158774348417
Energy: 0.428691386294116
Energy: 0.4139404900099053
Energy: 0.45417263236945665
Energy: 0.4208715811420956
Energy: 0.42411978330080913
Energy: 0.40406170287457294
Energy: 0.4213510075452914
Energy: 0.4297980794000321
Energy: 0.4665112219003845
Energy: 0.4278773437224484
Energy: 0.4285604899068147
Energy: 0.39949165462537417
Energy: 0.423959618499335
Energy: 0.38353129749711584
Energy: 0.4532958401847488
Energy: 0.4226116301056777
Energy: 0.4273100245820811
Energy: 0.41408184804369186
Energy: 0.41803016659915115
Energy: 0.4232952937084395
Energy: 0.5315899261716412
Energy: 0.39674088436170757
Energy: 0.47308431644975973
Energy: 0.4729325331513118
Energy: 0.4236583189537884
Energy: 0.4189436100437613
Energy: 0.4560667103937598
Energy: 0.39290430888031375
Energy: 0.38706959083652864
Energy: 0.4124663806810728
Energy: 0.38844369845156906
Energy: 0.41195889632275334
Energy: 0.5433289140184211
Energy: 0.4039885933642002
Energy: 0.45208036516996947
Energy: 0.539615790227929
Energy: 0.5283275310673512
Energy: 0.4073463113347222
Energy: 0.4225190780084681
Energy: 0.3882387625502504
Energy: 0.3885362289560399
Energy: 0.42231365460334835
Energy: 0.3906429250167181
Energy: 0.43641263754771364
Energy: 0.42423942446543494
Energy: 0.40585241801106936
Energy: 0.4275147628818721
Energy: 0.4253665891490913
Energy: 0.4016082090715898
Energy: 0.4300418960059993
Energy: 0.4205530954691483
Energy: 0.42558969693038823
Energy: 0.40197702498147
Energy: 0.4292493565216927
Energy: 0.42492793935971107
Energy: 0.4091920106208352
Energy: 0.4182419778056588
Energy: 0.40641488053863245
Energy: 0.42171403146822145
Energy: 0.3992702346700609
Energy: 0.402387980152593
Energy: 0.4244625462700294
Energy: 0.6120808696041866
Energy: 0.4171677527071828
Energy: 0.40188904424334515
Energy: 0.3957337921212639
Energy: 0.411609003557567
Energy: 0.41142952227631463
Energy: 0.5154997940035727
Energy: 0.4227111305328618
Energy: 0.42090168975908465
Energy: 0.41106303068704503
Energy: 0.4186254614830903
Energy: 0.4068117502646844
Energy: 0.5317353545237389
Energy: 0.4213071328682173
Energy: 0.4210085804414106
Energy: 0.40232227452551184
Energy: 0.4206878547234389
Energy: 0.4051137288335571
Energy: 0.4378426388177107
Energy: 0.4215801640977616
Energy: 0.4113014258307348
Energy: 0.39780198631467373
Energy: 0.42254477339620755
Energy: 0.4143792299339921
Energy: 0.49814567635360096
Energy: 0.41587577152808797
Energy: 0.42425987330306997
Energy: 0.42494233895870437
Energy: 0.41134096945396487
Energy: 0.39898114446243044
Energy: 0.4134168743640031
Energy: 0.4085387484538585
Energy: 0.4231353302113948
Energy: 0.414542830283068
Energy: 0.4054314690053117
Energy: 0.41630641366754373
Energy: 0.43274132308739177
Energy: 0.40239199489321875
Energy: 0.40421740399377937
Energy: 0.4204031312723617
Energy: 0.40100602314772427
Energy: 0.40911026948281265
Energy: 0.45447975330428814
Energy: 0.47106566474353584
Energy: 0.48109275227409065
Energy: 0.4235458114962914
Energy: 0.4844133974502202
Energy: 0.4530743026740082
Energy: 0.4569002752929953
Energy: 0.4064256433111936
Energy: 0.40924580945409256
Energy: 0.4342520636667207
Energy: 0.40217333749356704
Energy: 0.40674567182821314
Energy: 0.4301480754996903
Energy: 0.3956951875063142
Energy: 0.410125190843632
Energy: 0.41155835132158514
Energy: 0.41149224538194473
Energy: 0.4139079976521133
Energy: 0.4511560772765314
Energy: 0.4229606771225221
Energy: 0.42095778964396924
Energy: 0.41894481625698626
Energy: 0.4171636717425712
Energy: 0.3927005707599948
Energy: 0.45896425605300695
Energy: 0.4198858884601848
Energy: 0.41169669517962965
Energy: 0.39791168335226274
Energy: 0.4220662600167728
Energy: 0.3840465403201215

minimum gb energy = 0.3810460694523268 eV
minimum distance =  2.74777072773666 Angstroms
sigma value = 57


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

Energy: 0.1775037850928999
Energy: 0.19115258228771853
Energy: 0.2145677444524356
Energy: 0.1793084802776509
Energy: 0.2154037722646076
Energy: 0.18196295409867433
Energy: 0.23789905428475752
Energy: 0.19117492506761707
Energy: 0.19190132268918017
Energy: 0.20241412801084116
Energy: 0.20536616413946646
Energy: 0.20320324038181675
Energy: 0.2507040094373171
Energy: 0.21175974980705378
Energy: 0.2093538303864298
Energy: 0.20752571854826085
Energy: 0.20757100865444303
Energy: 0.22143247402161206
Energy: 0.25049637715243156
Energy: 0.21710234554273364
Energy: 0.21260155838824232
Energy: 0.20879218730042262
Energy: 0.2373388547296238
Energy: 0.22208089687817312
Energy: 0.2271606813968767
Energy: 0.18056453230508915
Energy: 0.19712095583691477
Energy: 0.22828431869879107
Energy: 0.19536756528670207
Energy: 0.21419970755154913
Energy: 0.24270338376629935
Energy: 0.17889073088736235
Energy: 0.1933438298903733
Energy: 0.19338769591231394
Energy: 0.1817871778781474
Energy: 0.21023673550793048
Energy: 0.20027092914660385
Energy: 0.19217432191023692
Energy: 0.19507598157609365
Energy: 0.20144748881585958
Energy: 0.20728428429970988
Energy: 0.22538806592120625
Energy: 0.2561072419906915
Energy: 0.2585316776747628
Energy: 0.24506021956696342
Energy: 0.21333309667780775
Energy: 0.22111549334493197
Energy: 0.21184038675462644
Energy: 0.2272504569291967
Energy: 0.20742021619399825
Energy: 0.22503193057943519
Energy: 0.21027465249925406
Energy: 0.20703001747752878
Energy: 0.22137434696814254
Energy: 0.18316711173409328
Energy: 0.20747164649099378
Energy: 0.20191805309426433
Energy: 0.18498399079848843
Energy: 0.20519825837843728
Energy: 0.21102152509034897
Energy: 0.1870535226144524
Energy: 0.19471755065189897
Energy: 0.21004395459414357
Energy: 0.1901276282019118
Energy: 0.19057007043945057
Energy: 0.1975077981273422
Energy: 0.2306134192448562
Energy: 0.2096540730721576
Energy: 0.22841726576824264
Energy: 0.23314537027598042
Energy: 0.20561626522980345
Energy: 0.2089810810363222
Energy: 0.5923168723970214
Energy: 0.2624667890501139
Energy: 0.25193714313931787
Energy: 0.25898644087403916
Energy: 0.2569758975224303
Energy: 0.2662951934998726
Energy: 0.2279821068674677
Energy: 0.2082393018141348
Energy: 0.21369927284159576
Energy: 0.2289866037995712
Energy: 0.2065069166262701
Energy: 0.2132675463288868
Energy: 0.2673000926144553
Energy: 0.18600039547745584
Energy: 0.19225093173247523
Energy: 0.20811075074683794
Energy: 0.18051142168073434
Energy: 0.2017719846427539
Energy: 0.20308386960238248
Energy: 0.21389680065259578
Energy: 0.22065160658229738
Energy: 0.20375093299280292
Energy: 0.1857387095920343
Energy: 0.19820669387270906
Energy: 0.21229026175429447
Energy: 0.21343061953641965
Energy: 0.22486486244934734
Energy: 0.20654749853623552
Energy: 0.2052920955157991
Energy: 0.24005294162306548
Energy: 0.23329545060337697
Energy: 0.21474408284100308
Energy: 0.242543695203497
Energy: 0.2356177351663157
Energy: 0.2243003162466145
Energy: 0.20793793589472767
Energy: 0.18488994723374552
Energy: 0.19599693450301878
Energy: 0.19282333693446987
Energy: 0.1887774984488663
Energy: 0.23099796709914153
Energy: 0.21909888120042384

minimum gb energy = 0.1775037850928999 eV
minimum distance =  2.79913770587489 Angstroms
sigma value = 11


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

Energy: 0.6203228434592221
Energy: 0.3118699991299451
Energy: 0.5027152364706666
Energy: 0.5500980151260126
Energy: 0.31056218672294633
Energy: 0.37142803508230937
Energy: 0.3162636009154315
Energy: 0.31612243310537647
Energy: 0.34013406234055926
Energy: 0.31703912425234565
Energy: 0.31210155872302897
Energy: 0.3343000434503694
Energy: 0.31665505692386947
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Energy: 0.33033538445146315
Energy: 0.3161417357467428
Energy: 0.34022630707897394
Energy: 0.3381480564089727
Energy: 0.3153780742837347
Energy: 0.31541356665706394
Energy: 0.3254759772926001
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Energy: 0.37292685457056235
Energy: 0.3414779911612694
Energy: 0.3117738369772402
Energy: 0.3438227449624496
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Energy: 0.4859587495353478
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Energy: 0.340826310479375
Energy: 0.37258070899522056
Energy: 0.46206198021718903
Energy: 0.4279135616793394
Energy: 0.32997184417549197
Energy: 0.4421124824301476
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Energy: 0.3317751737259619
Energy: 0.5972082762690665
Energy: 0.35709967061494463
Energy: 0.35939567464479544
Energy: 0.32052437277040186
Energy: 0.3557205197230164
Energy: 0.3759086308500032
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Energy: 0.34365509299294916
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Energy: 0.30983537142102924
Energy: 0.3420467976772665
Energy: 0.35723424480320704
Energy: 0.40225667406273363
Energy: 0.4248955075732881
Energy: 0.364020504439771
Energy: 0.3885703097261377
Energy: 0.4433549651567689
Energy: 0.3662351614600945
Energy: 0.4790058685380515
Energy: 0.3535302095509132
Energy: 0.3574068079076539
Energy: 0.3611448550665178
Energy: 0.39619799822092355
Energy: 0.3467939695266838
Energy: 0.5241321619637941
Energy: 0.5569293740265965
Energy: 0.47911416009431934
Energy: 0.3868609392013127
Energy: 0.551817358808921
Energy: 0.36272455847433865
Energy: 0.3122948431700425
Energy: 0.34952432801389327
Energy: 0.35641441027646237
Energy: 0.30839361899987566
Energy: 0.346609840539876
Energy: 0.34769547365895026
Energy: 0.35677569721395086
Energy: 0.37412171365545854
Energy: 0.35821662493957807
Energy: 0.3591705891442849
Energy: 0.3827310715420441
Energy: 0.3658484820804295
Energy: 0.350562182442423
Energy: 0.3169261570418933
Energy: 0.3368263144663757
Energy: 0.3477634835797518
Energy: 0.3141766386358776
Energy: 0.3717318738445028
Energy: 0.6114060192303763
Energy: 0.33931711047090685
Energy: 0.32420524503060566
Energy: 0.42004474560328736
Energy: 0.32362421704841254
Energy: 0.32312538049817724

minimum gb energy = 0.3030139025048985 eV
minimum distance =  2.77013520505692 Angstroms
sigma value = 41


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

Energy: 0.604792177296265
Energy: 0.35292614903845054
Energy: 0.347346030401458
Energy: 0.4703960512318935
Energy: 0.3532186215513227
Energy: 0.4698026045061805
Energy: 0.34445034036183536
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Energy: 0.348570885170592
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Energy: 0.345236425276658
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Energy: 0.41897039238258615
Energy: 0.4086361207359482
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Energy: 0.3652764385472055
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Energy: 0.3435848150013405
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Energy: 0.35900011391434855
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Energy: 0.3563206244297221
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Energy: 0.34425147212982876
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Energy: 0.3521792901349595
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Energy: 0.33829324766140095
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Energy: 0.3399880254527861
Energy: 0.35139672169006997
Energy: 0.39521749885182056
Energy: 0.39399769590152683
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Energy: 0.5607351025420217
Energy: 0.392304649585842
Energy: 0.39673014427464
Energy: 0.3855912133878251
Energy: 0.3433585372512842
Energy: 0.3439309362667869
Energy: 0.3360568488461551
Energy: 0.3416028286283509
Energy: 0.3487089268805141
Energy: 0.3948344538157376
Energy: 0.4015161328752703
Energy: 0.4112609752554171
Energy: 0.38431534919954
Energy: 0.40462016818107377
Energy: 0.37148069887204244
Energy: 0.3870585775672777
Energy: 0.34704158410549657
Energy: 0.3508004861848264
Energy: 0.35773487413198163
Energy: 0.3452646481609072
Energy: 0.355748450046799
Energy: 0.46457506195823495
Energy: 0.3506915044820868
Energy: 0.35743522124318916
Energy: 0.4430517079677117
Energy: 0.34639708054831625
Energy: 0.3469243757113421
Energy: 0.4746893052312056
Energy: 0.40118050965143615
Energy: 0.41248228050620056
Energy: 0.442306908106839
Energy: 0.3933918091344411
Energy: 0.35319756403530583
Energy: 0.4390790376063556
Energy: 0.3477940214771448
Energy: 0.36051957236644494
Energy: 0.35820100429646556
Energy: 0.34259658777000407
Energy: 0.36071452252739644
Energy: 0.3981169273095586
Energy: 0.47488832822005583
Energy: 0.46974586074607
Energy: 0.4011156503260971
Energy: 0.4719742721437467
Energy: 0.46887088773861474
Energy: 0.3835986085899716
Energy: 0.38234582313849247
Energy: 0.38838925243948297
Energy: 0.38651215451280513
Energy: 0.3829853774324131
Energy: 0.38949552915212454
Energy: 0.4100322360611423
Energy: 0.4266248637635002
Energy: 0.4074932349208066
Energy: 0.41166914837522256
Energy: 0.447631378786832
Energy: 0.40591031925870685
Energy: 0.4002991655781753
Energy: 0.3472491974867364
Energy: 0.3666657757320695
Energy: 0.3960543748188797
Energy: 0.34449762568665493
Energy: 0.3556088479819524
Energy: 0.5725698749721856
Energy: 0.3586712654253697
Energy: 0.3483470516512201
Energy: 0.49593434448780316
Energy: 0.34396384075920056
Energy: 0.3762543675856093

minimum gb energy = 0.3271309935262583 eV
minimum distance =  2.73377863976551 Angstroms
sigma value = 33


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

Energy: 0.4811201241162164
Energy: 0.6914947456865251
Energy: 0.5683958162396453
Energy: 0.45928954036670233
Energy: 0.688183996535803
Energy: 0.586598498565473
Energy: 0.4032239913892531
Energy: 0.3721311890642784
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Energy: 0.3858761090975011
Energy: 0.3673580244728505
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Energy: 0.4202158103680025
Energy: 0.4259301751135106
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Energy: 0.3992318986164681
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Energy: 0.37512239560594823
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Energy: 0.3962529362060303
Energy: 0.3719729011339421
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Energy: 0.36369833708470284
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Energy: 0.5067966225096528
Energy: 0.5018185088674042
Energy: 0.4994577093510148
Energy: 0.5080388271847499
Energy: 0.40135626820899023
Energy: 0.37453052359020345
Energy: 0.39241476109434437
Energy: 0.365382749658685
Energy: 0.37127669252669526
Energy: 0.4391128219663461
Energy: 0.7460315211474626
Energy: 0.47998557697422695
Energy: 0.344436652314669
Energy: 0.3452874140587304
Energy: 0.4761753465495369
Energy: 0.5862369609019538

minimum gb energy = 0.34267314174173985 eV
minimum distance =  2.73904674848401 Angstroms
sigma value = 67


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

Energy: 0.5420345031655364
Energy: 0.6184032624106981
Energy: 0.4143035571952871
Energy: 0.5398207808852974
Energy: 0.6136201190754267
Energy: 0.426191287047277
Energy: 0.40300554936715605
Energy: 0.3736568500609019
Energy: 0.3726432813434853
Energy: 0.3840330540880213
Energy: 0.39337059677446523
Energy: 0.3711217490913554
Energy: 0.44365089412534936
Energy: 0.3835402416083951
Energy: 0.39896580698689676
Energy: 0.39347874305137576
Energy: 0.38409532618973824
Energy: 0.39409454018904844
Energy: 0.4152882523650342
Energy: 0.3895437605189694
Energy: 0.3856250742780116
Energy: 0.4095600704541692
Energy: 0.389554068573078
Energy: 0.387291289598658
Energy: 0.39797165270402457
Energy: 0.383569420498243
Energy: 0.38273360434230763
Energy: 0.3966279938378109
Energy: 0.38843725102264604
Energy: 0.380760298918941
Energy: 0.40096969799826115
Energy: 0.37985427620391105
Energy: 0.3844891073306091
Energy: 0.4037322263379892
Energy: 0.38927063897470665
Energy: 0.3860356751009349
Energy: 0.4469251823673616
Energy: 0.38356250326472335
Energy: 0.3809045117578597
Energy: 0.4300232903325629
Energy: 0.3976840738353022
Energy: 0.38273278750061374

minimum gb energy = 0.3711217490913554 eV
minimum distance =  2.80708176533899 Angstroms
sigma value = 3


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

Energy: 0.7468788137824351
Energy: 0.6700878684558732
Energy: 0.4602211346917595
Energy: 0.43410253624774897
Energy: 0.6687917104196155
Energy: 0.4634387152882911
Energy: 0.4309301139902654
Energy: 0.46171855810785795
Energy: 0.42225972979465115
Energy: 0.436149152360141
Energy: 0.44418734453663694
Energy: 0.4193287796116131
Energy: 0.45839693876780885
Energy: 0.411451325172153
Energy: 0.4153113673115546
Energy: 0.44937146848983595
Energy: 0.4140495133143626
Energy: 0.4201399170289411
Energy: 0.4061265797974214
Energy: 0.41124514231995946
Energy: 0.4168575968939538
Energy: 0.4063161962746115
Energy: 0.40989789022134004
Energy: 0.41318138252857584
Energy: 0.41807729857447995
Energy: 0.44860623422646434
Energy: 0.4399616815008277
Energy: 0.41718276157766787
Energy: 0.44654166801875855
Energy: 0.4309533905126684
Energy: 0.42859627538359757
Energy: 0.444153781600111
Energy: 0.44214227584399235
Energy: 0.42575982429296333
Energy: 0.4429828530012134
Energy: 0.4331678661360737
Energy: 0.4068603958370529
Energy: 0.4550325175665311
Energy: 0.45355320497983725
Energy: 0.43347523411651
Energy: 0.4593696848914229
Energy: 0.4305981853122907
Energy: 0.692946260662053
Energy: 0.5114072247258161
Energy: 0.4307208302663098
Energy: 0.409686347942742
Energy: 0.463356631504541
Energy: 0.46000280088394724
Energy: 0.4085738631199683
Energy: 0.4116995446977134
Energy: 0.4398847355723472
Energy: 0.41342058285554356
Energy: 0.41820571913772886
Energy: 0.41637181726777756
Energy: 0.5099030726591491
Energy: 0.4157488144663591
Energy: 0.4160621728420504
Energy: 0.4785949107840437
Energy: 0.42073825164485235
Energy: 0.4632303511908619
Energy: 0.46232042845770843
Energy: 0.41406730200892167
Energy: 0.4528493826086161
Energy: 0.46108198842036796
Energy: 0.41535401549059875
Energy: 0.43215606921506877
Energy: 0.4718744572255344
Energy: 0.4141064694646978
Energy: 0.4205347106359531
Energy: 0.47178244482171766
Energy: 0.4401575586941521
Energy: 0.4401917201591071
Energy: 0.4567660943114982
Energy: 0.42622998066536066
Energy: 0.4278372968400668
Energy: 0.47354196095524254
Energy: 0.4215782227910327
Energy: 0.4190483434029877
Energy: 0.4539331154392994
Energy: 0.40894037269107997
Energy: 0.4127912799903031
Energy: 0.42410059061594874
Energy: 0.4073967364989271
Energy: 0.41638454077306203
Energy: 0.6006746409461973
Energy: 0.42988968526805627
Energy: 0.4174702890203783
Energy: 0.41579334431785225
Energy: 0.42319021880122
Energy: 0.4196989601698184
Energy: 0.4779713313985949
Energy: 0.41147451408732316
Energy: 0.4150849214845952
Energy: 0.4361754531981641
Energy: 0.42543448056889505
Energy: 0.4346534568536203
Energy: 0.5555604296672154
Energy: 0.43691649572984625
Energy: 0.43418717195043127
Energy: 0.5554711816805866
Energy: 0.43373872642741945
Energy: 0.5144534184911677
Energy: 0.4459153374479395
Energy: 0.425709232992783
Energy: 0.43633036521520446
Energy: 0.4529905801275
Energy: 0.4207004132843831
Energy: 0.4399348474565788
Energy: 0.44962597830013024
Energy: 0.42712513373019945
Energy: 0.41353004797020604
Energy: 0.4505253326183826
Energy: 0.4275697920477549
Energy: 0.4198513646362922
Energy: 0.45212397059736165
Energy: 0.4253913096502175
Energy: 0.4250824431335523
Energy: 0.43123631660078887
Energy: 0.42501779470380435
Energy: 0.4213270226896209
Energy: 0.4452762981229974
Energy: 0.43297875800474345
Energy: 0.43874465726373507
Energy: 0.4514063772791251
Energy: 0.4097302524037355
Energy: 0.45418326490384775
Energy: 0.4671911226381026
Energy: 0.49640555997064717
Energy: 0.44921429274600577
Energy: 0.46830754988290463
Energy: 0.4970866634009037
Energy: 0.44734520157934116
Energy: 0.43223093679058333
Energy: 0.43725762392224393
Energy: 0.4455142836098998
Energy: 0.4328878179700751
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Energy: 0.44935578167788665
Energy: 0.4291289454823244
Energy: 0.40767490101992093
Energy: 0.416951532208814
Energy: 0.4290437296546147
Energy: 0.408831357031715
Energy: 0.4374897918095357
Energy: 0.40794488389021205
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Energy: 0.40577753603170236
Energy: 0.42220296915135336
Energy: 0.4267375786071587
Energy: 0.416693575739126
Energy: 0.46436047029138
Energy: 0.4789869425592258
Energy: 0.4491873726009362
Energy: 0.41296742835575323
Energy: 0.48921009496181844
Energy: 0.43684335096461
Energy: 0.4010504100053338
Energy: 0.49434958280763724
Energy: 0.4437744671358216
Energy: 0.42232511300590775
Energy: 0.4891888378193956
Energy: 0.4507143229628387
Energy: 0.40913033857268044
Energy: 0.4230881141221388
Energy: 0.409094727138792
Energy: 0.44436134452110176
Energy: 0.4233709683133707
Energy: 0.4173915569384729
Energy: 0.42561641933611244
Energy: 0.4154865345289577
Energy: 0.4114506111061062
Energy: 0.42231650763355955
Energy: 0.41344579581426555
Energy: 0.43142971464645863
Energy: 0.4150018653515342
Energy: 0.43620948623041866
Energy: 0.4310351163420915
Energy: 0.4142553619564745
Energy: 0.45528993596132494
Energy: 0.4256441603910171
Energy: 0.44218886085472114
Energy: 0.4377444209092206
Energy: 0.4339252196367386
Energy: 0.4386382983387018
Energy: 0.4435867306093391
Energy: 0.43609320693835124
Energy: 0.4206693463504449
Energy: 0.43372895968373265
Energy: 0.43625376126045995
Energy: 0.45740885982651114
Energy: 0.46676609784193346
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Energy: 0.4682797606500805
Energy: 0.4651484930736448
Energy: 0.4525880051146395
Energy: 0.4074884658795336
Energy: 0.4647603967336176
Energy: 0.43454792677194587
Energy: 0.42027526216712396
Energy: 0.4186443210217598
Energy: 0.44553341663777046
Energy: 0.41600812252321695
Energy: 0.48987034161602955
Energy: 0.45942324531114603
Energy: 0.431849737298559
Energy: 0.4555008659522311
Energy: 0.4339602185545338
Energy: 0.4703865557020557
Energy: 0.41661407299783926
Energy: 0.43542759870205033
Energy: 0.470650187051336
Energy: 0.41486438725504926
Energy: 0.4217812825777765
Energy: 0.4701914640995873
Energy: 0.4286008809918007
Energy: 0.46307274509444535
Energy: 0.4643059710489183
Energy: 0.412521321361474
Energy: 0.41769850781646983
Energy: 0.4384690644959404
Energy: 0.43179674735718787
Energy: 0.4521660816527149
Energy: 0.5646765438295479
Energy: 0.4352510303885305
Energy: 0.4255189362526315
Energy: 0.47263036743413583
Energy: 0.4361054075755088
Energy: 0.4409293688852784
Energy: 0.4655041086721566
Energy: 0.4134097606010445
Energy: 0.4158785800015143
Energy: 0.4485111478102572
Energy: 0.4095651050731008
Energy: 0.41981915463324193
Energy: 0.5948998410828248
Energy: 0.4168602468312537
Energy: 0.4184773251257377
Energy: 0.4347487911749541
Energy: 0.4131007095714026
Energy: 0.41641065535709887
Energy: 0.46989941323784973
Energy: 0.4099644391427882
Energy: 0.41372732756098624
Energy: 0.43852240846513807
Energy: 0.42685139397572947
Energy: 0.4109404122864513
Energy: 0.4863350913736505
Energy: 0.42600268103788963
Energy: 0.43296313103345646
Energy: 0.4722087808924361
Energy: 0.4226647869268493
Energy: 0.4232707354413075
Energy: 0.5836083063525501
Energy: 0.4382561034917414
Energy: 0.4367403628126371
Energy: 0.5580134239140693
Energy: 0.4293013511641012
Energy: 0.45395502055800824
Energy: 0.4414085852349387
Energy: 0.4090390697530045
Energy: 0.4127099397378647
Energy: 0.4131393870564642
Energy: 0.4053340251067396
Energy: 0.415770354499016
Energy: 0.6476729035206553
Energy: 0.4216008508549766
Energy: 0.4193172062284501
Energy: 0.42553377502078543
Energy: 0.42008931232986646
Energy: 0.41694475341600784
Energy: 0.4280474446909925
Energy: 0.4319122159239608
Energy: 0.4303872579763752
Energy: 0.4127230930499612
Energy: 0.4231980099312857
Energy: 0.4319009123201272
Energy: 0.5236427987113099
Energy: 0.45338686790487503
Energy: 0.4375547431877272
Energy: 0.4636104035630985
Energy: 0.4549376017665091
Energy: 0.4374496792651657
Energy: 0.43990568709190325
Energy: 0.4392891625357381
Energy: 0.43977643546549255
Energy: 0.43828866253130017
Energy: 0.44682079561920796
Energy: 0.43781884937537535
Energy: 0.41623455894896433
Energy: 0.4051919280457302
Energy: 0.4428248193806614
Energy: 0.41831949045763045
Energy: 0.4041317302388828
Energy: 0.4245451958178938
Energy: 0.46748895637064936
Energy: 0.40708649523299817
Energy: 0.40948004284024714
Energy: 0.44438642072290924
Energy: 0.40751103103005054
Energy: 0.41702157236954857
Energy: 0.4303202097538538
Energy: 0.43677818483245207
Energy: 0.43301323601816666
Energy: 0.45383097657554844
Energy: 0.42264827440103037
Energy: 0.41285291008464353

minimum gb energy = 0.4010504100053338 eV
minimum distance =  2.78113958715264 Angstroms
sigma value = 81


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

Energy: 0.7593485034008822
Energy: 0.6007743426576421
Energy: 0.3819527104687364
Energy: 0.3820554194813097
Energy: 0.5991802382119676
Energy: 0.4066403400136473
Energy: 0.4237538304359977
Energy: 0.4127566715926976
Energy: 0.4182582538007824
Energy: 0.4009831635479926
Energy: 0.4281605882089691
Energy: 0.4122161554801266
Energy: 0.4476103674634202
Energy: 0.4219732124880755
Energy: 0.4375511837319076
Energy: 0.42962863975071053
Energy: 0.4101558551239849
Energy: 0.4509302086369099
Energy: 0.4291934820540268
Energy: 0.4302587139006543
Energy: 0.45055991716221094
Energy: 0.4273405213696693
Energy: 0.4070134533651419
Energy: 0.44563018585841296
Energy: 0.428734143762995
Energy: 0.4449207147312251
Energy: 0.44306350133116534
Energy: 0.42802760805340384
Energy: 0.45342262072883466
Energy: 0.4405312807865015
Energy: 0.4538634987812967
Energy: 0.4455578549400871
Energy: 0.44214424212776793
Energy: 0.4559180149218789
Energy: 0.4531737232488085
Energy: 0.4418012996709062
Energy: 0.43374881237664087
Energy: 0.44368084071530256
Energy: 0.45424529583386497
Energy: 0.4389617385186126
Energy: 0.4320994461895815
Energy: 0.44509178245808917
Energy: 0.6305650342680093
Energy: 0.4987583185298353
Energy: 0.47833858846434224
Energy: 0.4309964150261528
Energy: 0.5014411738658439
Energy: 0.4562580158926124
Energy: 0.4327477779685242
Energy: 0.44812311459894144
Energy: 0.4499888104479105
Energy: 0.4375432532941932
Energy: 0.4364993993569835
Energy: 0.45027250124584567
Energy: 0.4571519633146857
Energy: 0.37841076551217634
Energy: 0.37758753787532373
Energy: 0.459870059485377
Energy: 0.38311785906885787
Energy: 0.37611491614392367
Energy: 0.44475824388663987
Energy: 0.3804740720015626
Energy: 0.3764987756708545
Energy: 0.4489052594890349
Energy: 0.38703854322431064
Energy: 0.43755122091107373
Energy: 0.40937288513046066
Energy: 0.4503626803093816
Energy: 0.4505879119088095
Energy: 0.4073409353562503
Energy: 0.44178480006318394
Energy: 0.4534624898202167
Energy: 0.4052984159688611
Energy: 0.43378553398169106
Energy: 0.4416573705907315
Energy: 0.40598511647921065
Energy: 0.4306688732838162
Energy: 0.43577450009673224
Energy: 0.44070584397888124
Energy: 0.42774530265439276
Energy: 0.44269093073372884
Energy: 0.4429415149675761
Energy: 0.4282258117413279
Energy: 0.4424149241393702
Energy: 0.4346055531270715
Energy: 0.4522419918336698
Energy: 0.4512212834982679
Energy: 0.4597485212296346
Energy: 0.4706791922988549
Energy: 0.4515796260372873
Energy: 0.4305035191156491
Energy: 0.43968852802345354
Energy: 0.44221322562696286
Energy: 0.43188132230728266
Energy: 0.4383777773489997
Energy: 0.4484102371043014
Energy: 0.51085505882496
Energy: 0.42709795665596334
Energy: 0.40535704741037987
Energy: 0.5104902780846684
Energy: 0.42685699293145535
Energy: 0.43162314340417474
Energy: 0.4343885383873038
Energy: 0.44185038305468427
Energy: 0.45420012547576755
Energy: 0.44068023058600236
Energy: 0.4305024932998149
Energy: 0.4491881896106217
Energy: 0.3820507029172782
Energy: 0.43728128235317754
Energy: 0.3781469979505964
Energy: 0.38513239286126183
Energy: 0.4459672195029828
Energy: 0.3775099341261104
Energy: 0.3794800825366931
Energy: 0.43739853753068514
Energy: 0.3754444198001889
Energy: 0.40203327627196006
Energy: 0.4491874022047942
Energy: 0.3762892632113905
Energy: 0.42781648661746186
Energy: 0.4391008777893155
Energy: 0.45177381144222273
Energy: 0.43929244422568675
Energy: 0.44076340858158936
Energy: 0.4542993224238533
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Energy: 0.43182419578637427
Energy: 0.5087500232356739
Energy: 0.4357191006725817
Energy: 0.5213560413529644
Energy: 0.43244831438745157
Energy: 0.4245367637466315
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Energy: 0.45108246866229934
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Energy: 0.4415695175930127
Energy: 0.44005163634581096
Energy: 0.45306456948822593
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Energy: 0.4477423511527425
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Energy: 0.44971282680766933
Energy: 0.4365243048209947
Energy: 0.4559740042432624
Energy: 0.4442967736684968
Energy: 0.4453826811566394
Energy: 0.4320136197430007
Energy: 0.44640283503570466
Energy: 0.4130400196315412
Energy: 0.4745857591951438
Energy: 0.4749083366678775
Energy: 0.42757353346300214
Energy: 0.5142962308707812
Energy: 0.4505865648290656
Energy: 0.4165157014037759
Energy: 0.454057349982946
Energy: 0.4519161256044604
Energy: 0.4161948084904525
Energy: 0.4426034036157326
Energy: 0.45045949183439554
Energy: 0.4392019633960474
Energy: 0.38206168355306513
Energy: 0.43800275076974354
Energy: 0.4461322729544505
Energy: 0.3928365815293883
Energy: 0.4359046611372782
Energy: 0.4753538599652492
Energy: 0.3785523125030596
Energy: 0.3774962977647835
Energy: 0.46834060399722366
Energy: 0.39311548901317994
Energy: 0.3792211125967336
Energy: 0.43883138257331744
Energy: 0.44855722800655423
Energy: 0.4601897435571375
Energy: 0.44233054518449244
Energy: 0.43975493812049543
Energy: 0.43838123580010885
Energy: 0.41223169211276667
Energy: 0.48465618471825855
Energy: 0.4487300210298676
Energy: 0.40452137495693885
Energy: 0.5183567355125922
Energy: 0.43950084118318977
Energy: 0.4400570732939867
Energy: 0.42666731092316146
Energy: 0.4292663378599016
Energy: 0.44106669847007857
Energy: 0.42822323901667
Energy: 0.4481734595586532
Energy: 0.4505682456045618
Energy: 0.4406497575689794
Energy: 0.4398740547164633
Energy: 0.4601759734704314
Energy: 0.429742145421312
Energy: 0.43921399681728124
Energy: 0.4336536602182512
Energy: 0.4424350207292134
Energy: 0.44653756527847915
Energy: 0.4352577555088256
Energy: 0.4416664995043928
Energy: 0.44184671372207523
Energy: 0.43558810075728127
Energy: 0.4371547612074553
Energy: 0.4499644938267997
Energy: 0.4378073191039778
Energy: 0.4235348940299436
Energy: 0.4184658557854354
Energy: 0.5047813360373252
Energy: 0.42510880156764663
Energy: 0.42475430439719686
Energy: 0.4937267436431138
Energy: 0.42879471159209265
Energy: 0.4750777402900957
Energy: 0.42276423401383445
Energy: 0.41420432134096
Energy: 0.4203749008102951
Energy: 0.40086129022941175
Energy: 0.4257582420859669
Energy: 0.4114194855467291
Energy: 0.5380635649108905
Energy: 0.4485244984504517
Energy: 0.38418350278952823
Energy: 0.3814666838124
Energy: 0.45101999773997414
Energy: 0.4063896309148783

minimum gb energy = 0.3754444198001889 eV
minimum distance =  2.78231802606901 Angstroms
sigma value = 43


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

Energy: 0.7765180421793749
Energy: 0.5557128768252672
Energy: 0.4615264231908136
Energy: 0.42051476054889647
Energy: 0.5559807372948268
Energy: 0.4214444078971629
Energy: 0.4072475435566869
Energy: 0.42139079584326344
Energy: 0.41917987078142743
Energy: 0.4144409838307974
Energy: 0.40426316349267977
Energy: 0.42521236028945925
Energy: 0.4092482432848079
Energy: 0.39638978426945115
Energy: 0.39525852601653494
Energy: 0.46865545836655725
Energy: 0.3945090873203238
Energy: 0.40640148985110847
Energy: 0.4050107503436168
Energy: 0.399497802718147
Energy: 0.40412041953403965
Energy: 0.40528965868264955
Energy: 0.40835937072327194
Energy: 0.40493233219543545
Energy: 0.42255172623264653
Energy: 0.4423245507702461
Energy: 0.4418423909023276
Energy: 0.4121118397199233
Energy: 0.43606370008766454
Energy: 0.44210145714985954
Energy: 0.4243102072097886
Energy: 0.4397860928625496
Energy: 0.4432939646160855
Energy: 0.42421427162540665
Energy: 0.4115043399036007
Energy: 0.43371358236891866
Energy: 0.41193370617531194
Energy: 0.41192753301973634
Energy: 0.4063598114670774
Energy: 0.41403760615463364
Energy: 0.4086251557413457
Energy: 0.41640138066641064
Energy: 0.44689592230764197
Energy: 0.4047639917532706
Energy: 0.40516155759200123
Energy: 0.40237166983876044
Energy: 0.4065038963869318
Energy: 0.40570165996915547
Energy: 0.4445137121195226
Energy: 0.4135319376795338
Energy: 0.41126836881142786
Energy: 0.44365666390665964
Energy: 0.4137011018200611
Energy: 0.4131178773759493
Energy: 0.5744631685524786
Energy: 0.40743913260817244
Energy: 0.4366444126909148
Energy: 0.5741627939791596
Energy: 0.4087919077832227
Energy: 0.45155252232394233
Energy: 0.4106271981573002
Energy: 0.4049208953756001
Energy: 0.4217808207939302
Energy: 0.4238383265587812
Energy: 0.42323039303374554
Energy: 0.43016689379880707
Energy: 0.48237952444928844
Energy: 0.40666811211248216
Energy: 0.40485607635901294
Energy: 0.4001875896357459
Energy: 0.4051283969356715
Energy: 0.40872080961674556
Energy: 0.4173524894046803
Energy: 0.404609435869475
Energy: 0.41198035643310954
Energy: 0.39863916235994207
Energy: 0.43876664991028663
Energy: 0.4178857789942511
Energy: 0.4099119794318676
Energy: 0.41214495817381475
Energy: 0.4594589743216263
Energy: 0.41690447422146637
Energy: 0.4114827517472489
Energy: 0.4172205402194019
Energy: 0.4164088496838938
Energy: 0.46350544191181386
Energy: 0.4174500192983016
Energy: 0.412181137742236
Energy: 0.43156663793059585
Energy: 0.4249202922119426
Energy: 0.4008464920428569
Energy: 0.4532115278190395
Energy: 0.41494071423003814
Energy: 0.40059595861194874
Energy: 0.4416679645367164
Energy: 0.4021030694920842
Energy: 0.4053029689119146
Energy: 0.4037501113655252
Energy: 0.4038149776196978
Energy: 0.4025377300499441
Energy: 0.42934225262017633
Energy: 0.40376405138924815
Energy: 0.4024344385843448
Energy: 0.4048072085130882
Energy: 0.3997971226296844
Energy: 0.41625263831535153
Energy: 0.4082197844262005
Energy: 0.4000909019402933
Energy: 0.4407336802480871
Energy: 0.4007439896387412
Energy: 0.40053491223976045
Energy: 0.41235029727035394
Energy: 0.39951699762416776
Energy: 0.40828172422365244
Energy: 0.44268186372261187
Energy: 0.4022598323783917
Energy: 0.4028119356962072
Energy: 0.42144079151019936
Energy: 0.4001293577202153
Energy: 0.4058727453717042
Energy: 0.4018040308919549
Energy: 0.4063491970180429
Energy: 0.4221741432755249
Energy: 0.4156356317190421
Energy: 0.4057316798960778
Energy: 0.40130609696333924
Energy: 0.49303074005409936
Energy: 0.4143748432265871
Energy: 0.4156188790873999
Energy: 0.492521276888557
Energy: 0.39871272563520416
Energy: 0.4142981126964837
Energy: 0.47794612135157627
Energy: 0.40340896360372475
Energy: 0.4030566164984865
Energy: 0.44199073191183713
Energy: 0.4039768456992381
Energy: 0.440664345904295
Energy: 0.46819580853420983
Energy: 0.40275865455518256
Energy: 0.40178931568848764
Energy: 0.4804870359753217
Energy: 0.4124142825481171
Energy: 0.4021618627853438
Energy: 0.4868337752700633
Energy: 0.4005001962232959
Energy: 0.4010465039093178
Energy: 0.41700606667781864
Energy: 0.4002504057100548
Energy: 0.4022712289102057
Energy: 0.45198525303289677
Energy: 0.40787693501888284
Energy: 0.4211542392132929
Energy: 0.42509974384969157
Energy: 0.40837345665395275
Energy: 0.4159448570565964
Energy: 0.4713134138728333
Energy: 0.4221930375944712
Energy: 0.4179365484326366
Energy: 0.41687457451606413
Energy: 0.4260517708219109
Energy: 0.44229894564747235
Energy: 0.4466293206040748
Energy: 0.4165337868464883
Energy: 0.4544417140939758
Energy: 0.4061774858792713
Energy: 0.42020462401103337
Energy: 0.41263251733305856
Energy: 0.4614506683421859
Energy: 0.4037782094359542
Energy: 0.4068688020865353
Energy: 0.46168282568405994
Energy: 0.4018835412654379
Energy: 0.4033031329454451
Energy: 0.4048575728956123
Energy: 0.4164535992411562
Energy: 0.4344599752291798
Energy: 0.4115041512522162
Energy: 0.40385007861197064
Energy: 0.4106920443945663
Energy: 0.39846472802536137
Energy: 0.483463302256865
Energy: 0.4629058689330312
Energy: 0.4157730147723651
Energy: 0.5259582598407794
Energy: 0.4597557708183801

minimum gb energy = 0.3945090873203238 eV
minimum distance =  2.72005309903141 Angstroms
sigma value = 57


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

Energy: 0.5924334563717166
Energy: 0.5920967235395835
Energy: 0.4341852203271252
Energy: 0.39895195517146753
Energy: 0.5990719266122623
Energy: 0.4717072191048209
Energy: 0.4599138864486766
Energy: 0.4340720775648257
Energy: 0.42714951243422794
Energy: 0.41110553112532244
Energy: 0.4361984881463089
Energy: 0.4420767560186198
Energy: 0.5023580309184458
Energy: 0.4051061518290273
Energy: 0.40938011806064617
Energy: 0.41047384135236076
Energy: 0.40958183971896006
Energy: 0.4050069294923819
Energy: 0.4628113817932325
Energy: 0.4069442197388002
Energy: 0.40867936506184505
Energy: 0.4634550465226009
Energy: 0.41488988238545393
Energy: 0.40541254932034365
Energy: 0.47960428801967986
Energy: 0.481674697981347
Energy: 0.466163509884018
Energy: 0.48161579774544144
Energy: 0.47120224729881544
Energy: 0.4676035464562585
Energy: 0.4269108949847783
Energy: 0.44945040483249943
Energy: 0.46985172741714964
Energy: 0.4808106813630134
Energy: 0.4649141089425861
Energy: 0.46830229887061503
Energy: 0.485081394358085
Energy: 0.4631496561369213
Energy: 0.4608390209007787
Energy: 0.44722478838207097
Energy: 0.462632365894781
Energy: 0.4605290200097148
Energy: 0.5011489944461316
Energy: 0.4679367761055098
Energy: 0.501884273369168
Energy: 0.42945675904628733
Energy: 0.46778693672772775
Energy: 0.47045774101475635
Energy: 0.47060979558018545
Energy: 0.491668208303025
Energy: 0.4937198850546835
Energy: 0.4708539986389528
Energy: 0.4904416712841442
Energy: 0.4845122162455233
Energy: 0.46892196739670977
Energy: 0.4337136325504074
Energy: 0.4355648661841605
Energy: 0.46976390914509725
Energy: 0.4416207095652679
Energy: 0.4367980895257223
Energy: 0.5258292985447288
Energy: 0.42631789561682293
Energy: 0.49255594145277004
Energy: 0.4765738877533929
Energy: 0.4680326764385312
Energy: 0.47582920226128633
Energy: 0.37636771384934753
Energy: 0.4602466802387623
Energy: 0.4643918626980685
Energy: 0.3785796441595083
Energy: 0.4595273580196183
Energy: 0.4315402200518006
Energy: 0.3791265409893936
Energy: 0.4619620041045203
Energy: 0.4397048207006119
Energy: 0.39492000310972064
Energy: 0.461650362408717
Energy: 0.43348587232733227
Energy: 0.5274906031136483
Energy: 0.4712691600074399
Energy: 0.4697112555329238
Energy: 0.47562510538823877
Energy: 0.4911236908746554
Energy: 0.44787614779709284
Energy: 0.4720994551099723
Energy: 0.47189704977638275
Energy: 0.47127758623004445
Energy: 0.480193450194119
Energy: 0.41218737486098334
Energy: 0.5211323729772592
Energy: 0.4643891321235544
Energy: 0.46504287640941455
Energy: 0.46397145549796287
Energy: 0.4651998062576284
Energy: 0.4611295234349006
Energy: 0.46418322849480426
Energy: 0.4940134896877303
Energy: 0.4789079709347823
Energy: 0.4742329953156791
Energy: 0.4744282823958311
Energy: 0.47938932060044354
Energy: 0.48046799127376716
Energy: 0.49324653742721386
Energy: 0.46841219711749377
Energy: 0.4696928424136918
Energy: 0.4535027609016292
Energy: 0.48172479860991196
Energy: 0.44668139741979335
Energy: 0.4803566173372106
Energy: 0.4600916810611578
Energy: 0.46035108450771683
Energy: 0.46446234440978756
Energy: 0.4609539241835964
Energy: 0.46118792185024093
Energy: 0.48890570667564004
Energy: 0.4866367927736664
Energy: 0.48694199989238374
Energy: 0.48139910019570437
Energy: 0.46977698822671016
Energy: 0.4857077919554592
Energy: 0.47034029989793735
Energy: 0.45981074664632976
Energy: 0.4973673039932705
Energy: 0.47026435458414656
Energy: 0.4881413822046173
Energy: 0.41226818793439396
Energy: 0.4661676991183241
Energy: 0.43770958778701374
Energy: 0.43578065370046803
Energy: 0.4094752109818128
Energy: 0.4373949738327335
Energy: 0.4933144770719922
Energy: 0.5433085193308491
Energy: 0.4545689105324955
Energy: 0.44610474475885636
Energy: 0.4109872068936435
Energy: 0.4504431083614378
Energy: 0.43362692005681935
Energy: 0.42225312796627473
Energy: 0.427901972740758
Energy: 0.43581786905751485
Energy: 0.3942513588338775
Energy: 0.4258751944791518
Energy: 0.4712062694298931

minimum gb energy = 0.37636771384934753 eV
minimum distance =  2.72774580265601 Angstroms
sigma value = 17


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

Energy: 0.37361242970052894
Energy: 0.6169277161457499
Energy: 0.46420952076458794
Energy: 0.4126735756682234
Energy: 0.6160170617807873
Energy: 0.4350189589099147
Energy: 0.49349368162491714
Energy: 0.45623153122915516
Energy: 0.45765417991895524
Energy: 0.4680844422983891
Energy: 0.4521202554436106
Energy: 0.4289699376612474
Energy: 0.4954218717065139
Energy: 0.40432293009062636
Energy: 0.3999031382808479
Energy: 0.43672408286428116
Energy: 0.39911379754570503
Energy: 0.40158452482927925
Energy: 0.453464396899459
Energy: 0.4008721142828776
Energy: 0.3993790391607708
Energy: 0.4533539899482373
Energy: 0.4039574222032507
Energy: 0.4401234631683186
Energy: 0.391606942751465
Energy: 0.4012534369815461
Energy: 0.4008510895738581
Energy: 0.3927083776496936
Energy: 0.4071135696706051
Energy: 0.42071365715580844
Energy: 0.4255731976706545
Energy: 0.3978936259577866
Energy: 0.4127647864498576
Energy: 0.39303935176964183
Energy: 0.40242166394265527
Energy: 0.4050238062044819
Energy: 0.4207025246713669
Energy: 0.3895134448137499
Energy: 0.38632353337934244
Energy: 0.39669446874484215
Energy: 0.38635926498453876
Energy: 0.38830368998186804
Energy: 0.41292079246845875
Energy: 0.39738263697560233
Energy: 0.39714488888806776
Energy: 0.4026619993536121
Energy: 0.3912800038775512
Energy: 0.4051607554309347
Energy: 0.38461358123518063
Energy: 0.3955432194653131
Energy: 0.3901939920434139
Energy: 0.3859870110552272
Energy: 0.4059894765150208
Energy: 0.39013483895166307
Energy: 0.3990735482837785
Energy: 0.4143027412802514
Energy: 0.4005683776950096
Energy: 0.39717073580185214
Energy: 0.41849386858015797
Energy: 0.4040703880775313
Energy: 0.46395028791815357
Energy: 0.4033735099338363
Energy: 0.4034431158214165
Energy: 0.40812412402350345
Energy: 0.3922220274197307
Energy: 0.3970907345980663
Energy: 0.3918425125362558
Energy: 0.458162481308938
Energy: 0.46318744461938954
Energy: 0.39405248485870636
Energy: 0.45336593357298394
Energy: 0.45447414942486286
Energy: 0.3966014184042585
Energy: 0.4579515402296543
Energy: 0.4598110682224986
Energy: 0.40612288262474777
Energy: 0.45662744902135527
Energy: 0.47765235592310257
Energy: 0.52249768945277
Energy: 0.4564125462728628
Energy: 0.474112796507697
Energy: 0.4523775336586651
Energy: 0.45866997840044105
Energy: 0.4160531327975173
Energy: 0.4565213870569901
Energy: 0.4461699574967769
Energy: 0.4501089963356656
Energy: 0.4494154467743464
Energy: 0.44036878472393404
Energy: 0.4596772151279216
Energy: 0.5639226619604397
Energy: 0.473567874402903
Energy: 0.4244338035891731
Energy: 0.4513007099486049
Energy: 0.46978929987669293
Energy: 0.4578579439505456
Energy: 0.36894110931900775
Energy: 0.4572570808545682
Energy: 0.5114280766093012
Energy: 0.38505771337063227
Energy: 0.45472831800587477
Energy: 0.5170926639835519

minimum gb energy = 0.36894110931900775 eV
minimum distance =  2.74710492071622 Angstroms
sigma value = 17


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

Energy: 0.7233785977369708
Energy: 0.5490443127499459
Energy: 0.43574669497475
Energy: 0.39759338496758156
Energy: 0.6213099644775208
Energy: 0.436945366444236
Energy: 0.42126689849151294
Energy: 0.45896230473460425
Energy: 0.3946151312847239
Energy: 0.4622437105727196
Energy: 0.4567173800881303
Energy: 0.41415415499520086
Energy: 0.546238769960425
Energy: 0.3966130514982971
Energy: 0.4300701544688223
Energy: 0.46093364051859925
Energy: 0.4026193730221465
Energy: 0.4208124744969804
Energy: 0.4575161406005377
Energy: 0.4134631797355298
Energy: 0.43197540973474197
Energy: 0.4574561710827794
Energy: 0.3867965140414438
Energy: 0.419677639019602
Energy: 0.3944102652821479
Energy: 0.3936170390667386
Energy: 0.39990750951350545
Energy: 0.3928771713159782
Energy: 0.3847765627330266
Energy: 0.39722669213579564
Energy: 0.34779848854480316
Energy: 0.4027787435444793
Energy: 0.39402181375154727
Energy: 0.3944285584603224
Energy: 0.3995255960406883
Energy: 0.3849533076900619
Energy: 0.37041365596289855
Energy: 0.38832994510304764
Energy: 0.3918943781933706
Energy: 0.38356945064163456
Energy: 0.3847543497290068
Energy: 0.3732370002703834
Energy: 0.4734392614624078
Energy: 0.3715668961083157
Energy: 0.3741301948410721
Energy: 0.3666640272912533
Energy: 0.37035625614890877
Energy: 0.3739837482627143
Energy: 0.3571189978689056
Energy: 0.37132603992006014
Energy: 0.38662048492008627
Energy: 0.3574650198609018
Energy: 0.3631249890789843
Energy: 0.36661418078345864
Energy: 0.36989828166303235
Energy: 0.3646763795379367
Energy: 0.3645940116904822
Energy: 0.3649042143443831
Energy: 0.3684356214800653
Energy: 0.36427487196795616
Energy: 0.3828129432375122
Energy: 0.3713945989061609
Energy: 0.3650830499150065
Energy: 0.371798157983389
Energy: 0.3675628371934977
Energy: 0.3641960501802819
Energy: 0.35621092523228765
Energy: 0.36179700700073664
Energy: 0.36608019360015076
Energy: 0.35750435276953946
Energy: 0.3604210902450937
Energy: 0.3659458299576886
Energy: 0.37046926231168376
Energy: 0.37646015434667796
Energy: 0.3692656267809533
Energy: 0.3732979265185085
Energy: 0.3672591266648369
Energy: 0.37378965509067047
Energy: 0.3843999860341274
Energy: 0.3720189509289367
Energy: 0.36623818784785755
Energy: 0.3837177012299966
Energy: 0.37710718902201723
Energy: 0.39474549413823684
Energy: 0.40526240832760513
Energy: 0.3736909722692159
Energy: 0.3695823420394026
Energy: 0.3998888865225732
Energy: 0.3760371581825084
Energy: 0.41846866546334466
Energy: 0.5085547358205463
Energy: 0.4040868923876371
Energy: 0.3977956085199751
Energy: 0.3986662839747791
Energy: 0.39261611261218327
Energy: 0.3916444676564127
Energy: 0.3549105460162091
Energy: 0.4633385486928143
Energy: 0.464542327900271
Energy: 0.3561162995101026
Energy: 0.46164068405172953
Energy: 0.41206083244481106
Energy: 0.35447068879844895
Energy: 0.4626022932381299
Energy: 0.46580218107946253
Energy: 0.3551905227537115
Energy: 0.45965688146642447
Energy: 0.4031894638412656
Energy: 0.5099297870869092
Energy: 0.4671258055432715
Energy: 0.4206832854127494
Energy: 0.4551497444252539
Energy: 0.39775207723546424
Energy: 0.39729141053084527
Energy: 0.6156029719084088
Energy: 0.400046414694237
Energy: 0.4175411433152079
Energy: 0.5636888316356387
Energy: 0.41592462970684324
Energy: 0.449741744575991
Energy: 0.5382186022880996
Energy: 0.46575639405642805
Energy: 0.45650896958717285
Energy: 0.4553276171754395
Energy: 0.4618429418947748
Energy: 0.4623304363785345
Energy: 0.36146898061568633
Energy: 0.46584453713065277
Energy: 0.5106352859859118
Energy: 0.3693121708985879
Energy: 0.4620513487379295
Energy: 0.41951845468651316
Energy: 0.3631064962280854
Energy: 0.4599034354669265
Energy: 0.47085033182091357
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Energy: 0.45644035937373334
Energy: 0.44624869588801575
Energy: 0.53642107084821
Energy: 0.38947490418523756
Energy: 0.4001295328203282
Energy: 0.4553725648840689
Energy: 0.3801112463779879
Energy: 0.4708210262469591
Energy: 0.47018608957060776
Energy: 0.3905218371780185
Energy: 0.4214980928070602
Energy: 0.46955260105480656
Energy: 0.3987168572830708
Energy: 0.42347326961860415
Energy: 0.39513461646097053
Energy: 0.3945644411719927
Energy: 0.39977998585003804
Energy: 0.3968744748261265
Energy: 0.38680888262855656
Energy: 0.4215390055491436
Energy: 0.34687854014140723
Energy: 0.444019737382227
Energy: 0.4036151708467055
Energy: 0.38824014228113246
Energy: 0.3978654152292329
Energy: 0.3861414272179357
Energy: 0.3531688374758483
Energy: 0.3890453144303624
Energy: 0.39271252004084917
Energy: 0.3514954060321365
Energy: 0.38540943076174233
Energy: 0.39906553561719516
Energy: 0.4975158466606515
Energy: 0.3732522385311053
Energy: 0.36928897542915345
Energy: 0.3685529630162842
Energy: 0.3642150718407095
Energy: 0.36664973912910787
Energy: 0.36316821810183114
Energy: 0.36558552259842547
Energy: 0.3730014181532228
Energy: 0.36373580859462795
Energy: 0.36812692552400755
Energy: 0.3712898304760468
Energy: 0.36025752921697024
Energy: 0.3602831982301625
Energy: 0.3598874390611075
Energy: 0.3589722163220855
Energy: 0.3643051934328991
Energy: 0.36142307698228904
Energy: 0.3754222787734997
Energy: 0.36089330261635283
Energy: 0.36004841048018704
Energy: 0.36345857133111004
Energy: 0.3696069770727409
Energy: 0.3600429767857585
Energy: 0.3636487596678845
Energy: 0.3583053742912617
Energy: 0.363190262144731
Energy: 0.3848035391720248
Energy: 0.35729534776201516
Energy: 0.3674796537715311
Energy: 0.3548077891391858
Energy: 0.38465716784357884
Energy: 0.36331705004394027
Energy: 0.36776805611954866
Energy: 0.3806177969750099
Energy: 0.36429149666462257
Energy: 0.38976401524105375
Energy: 0.36293481243264153
Energy: 0.36422583243201234
Energy: 0.38966994256924725
Energy: 0.3672832429042604
Energy: 0.36480717083184927
Energy: 0.39371427967508715
Energy: 0.3767309094498194
Energy: 0.40482444940844753
Energy: 0.39218506293856586
Energy: 0.3881913367871243
Energy: 0.41164142684227495
Energy: 0.5013729248672444
Energy: 0.3951465662905946
Energy: 0.40244323730153597
Energy: 0.387309661646987
Energy: 0.3572707699638901
Energy: 0.39706828982969333
Energy: 0.36114615883929013
Energy: 0.4589859456297497
Energy: 0.4659865957481518
Energy: 0.3999209480160064
Energy: 0.4575586679359217
Energy: 0.3933418295696801
Energy: 0.3534464171787236
Energy: 0.4609349448239856
Energy: 0.400315450522847
Energy: 0.400122149301695
Energy: 0.47525234383961357
Energy: 0.3977349523373915
Energy: 0.4581283142717366
Energy: 0.46332279207551486
Energy: 0.4675920209006653
Energy: 0.39409427650959383
Energy: 0.4571607222966229
Energy: 0.4204509703544909
Energy: 0.515613586288558
Energy: 0.41441752943434673
Energy: 0.4423112340373722
Energy: 0.4626678811189802
Energy: 0.4131005653189473
Energy: 0.43364307519927175
Energy: 0.5476864374284308
Energy: 0.42644539565740525
Energy: 0.39421538293671726
Energy: 0.45603733194464097
Energy: 0.3973628409856461
Energy: 0.46975961150339207
Energy: 0.36321930810097525
Energy: 0.46219396924694484
Energy: 0.46286610527624067
Energy: 0.36508133048786023
Energy: 0.45694605600508
Energy: 0.4470591673342622

minimum gb energy = 0.34687854014140723 eV
minimum distance =  2.74245649415909 Angstroms
sigma value = 57


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

Energy: 0.334414982495404
Energy: 0.5193279040031343
Energy: 0.4026030045101622
Energy: 0.37071329798756875
Energy: 0.5765845815617827
Energy: 0.41809659270218386
Energy: 0.4986919130245844
Energy: 0.38497234201752883
Energy: 0.3715872560570398
Energy: 0.45230979581040165
Energy: 0.44786895723529746
Energy: 0.37065158073579035
Energy: 0.5207143108148524
Energy: 0.3695728489666167
Energy: 0.37180491323997616
Energy: 0.4504955332778011
Energy: 0.3830032168811161
Energy: 0.41497941935973065
Energy: 0.44650965779560126
Energy: 0.3695455440247472
Energy: 0.41575718221065006
Energy: 0.446767928126664
Energy: 0.3365891666346456
Energy: 0.41388639695148793
Energy: 0.37725231584787916
Energy: 0.392263060718772
Energy: 0.3708344877312848
Energy: 0.3771350609821165
Energy: 0.38105839182085816
Energy: 0.37508290135344463
Energy: 0.32538086532197663
Energy: 0.39745391958799486
Energy: 0.37353406361451635
Energy: 0.38312105460392204
Energy: 0.39384192182154865
Energy: 0.3777608465244451
Energy: 0.4780740134281194
Energy: 0.3864629785457814
Energy: 0.38925808271020873
Energy: 0.3573394761131364
Energy: 0.3827314872416143
Energy: 0.3850733505276636
Energy: 0.45546232107522794
Energy: 0.3535096718303615
Energy: 0.3530985962804945
Energy: 0.3867878940636975
Energy: 0.3510082714383557
Energy: 0.358508154423687
Energy: 0.3468356590462107
Energy: 0.36101977860533474
Energy: 0.3622522320485648
Energy: 0.3481013293669606
Energy: 0.3533186969113618
Energy: 0.35863503262270546
Energy: 0.35960284851179003
Energy: 0.3397284889923546
Energy: 0.33607986502942017
Energy: 0.35719824793542754
Energy: 0.3367991178409359
Energy: 0.3383870529433415
Energy: 0.3323944390431592
Energy: 0.3435473477093606
Energy: 0.34221526850636663
Energy: 0.3467978091832041
Energy: 0.3391976750884283
Energy: 0.3438309714992316
Energy: 0.3479853697691526
Energy: 0.33746339727923563
Energy: 0.340475911503532
Energy: 0.33980365218663583
Energy: 0.33516530170352526
Energy: 0.33311617422208645
Energy: 0.36712325386479705
Energy: 0.3333176083502822
Energy: 0.334855920227491
Energy: 0.342969237758332
Energy: 0.3790115299648666
Energy: 0.33665221293280245
Energy: 0.32961701979756863
Energy: 0.33264839032394466
Energy: 0.346441605523096
Energy: 0.33133533378152036
Energy: 0.3540768804259375
Energy: 0.34100760526130164
Energy: 0.34902178714892285
Energy: 0.35142994900384045
Energy: 0.34833316999653924
Energy: 0.3480633726467087
Energy: 0.35252846727050247
Energy: 0.3516770351935551
Energy: 0.40336161564108
Energy: 0.35689325890080553
Energy: 0.3393334422303149
Energy: 0.34047539657322956
Energy: 0.35516488124494255
Energy: 0.3381443567618084
Energy: 0.3305244904732462
Energy: 0.35359157439333544
Energy: 0.3583106894381505
Energy: 0.3342969133756754
Energy: 0.3518233532598686
Energy: 0.3593243439906379
Energy: 0.3315904190224492
Energy: 0.34841939893840845
Energy: 0.3520825465891888
Energy: 0.3317190370759246
Energy: 0.35337629585659247
Energy: 0.3546718585728469
Energy: 0.37935861213450717
Energy: 0.35243879986096144
Energy: 0.3949562667584204
Energy: 0.3807552338274599
Energy: 0.35653180454910355
Energy: 0.38980177134138305
Energy: 0.4843882248447543
Energy: 0.35774656190313975
Energy: 0.35809140515793175
Energy: 0.40253024531172193
Energy: 0.3616332721890851
Energy: 0.37191828219336703
Energy: 0.4914825209171158
Energy: 0.3872227685416648
Energy: 0.3506760866347214
Energy: 0.38055221242952225
Energy: 0.38451714625321104
Energy: 0.37457662866062
Energy: 0.3287128969442883
Energy: 0.45779103238076657
Energy: 0.39404074199628597
Energy: 0.3654867936392684
Energy: 0.45585604174816496
Energy: 0.39132957682381014
Energy: 0.3862505389293407
Energy: 0.45347334466058925
Energy: 0.4464842988087154
Energy: 0.3873337456650486
Energy: 0.4494049392647596
Energy: 0.45043312959198306
Energy: 0.4965830065366794
Energy: 0.3973572809492425
Energy: 0.37900820746168745
Energy: 0.4063811367344571
Energy: 0.39096908777140577
Energy: 0.37416032680986383
Energy: 0.5249730024917268
Energy: 0.4032760916530892
Energy: 0.3941540785409501
Energy: 0.42216244711053946
Energy: 0.4086695159906976
Energy: 0.44204267845633755
Energy: 0.47117506883272964
Energy: 0.4554017357492729
Energy: 0.4431043013793709
Energy: 0.4474910556379208
Energy: 0.4510167416256544
Energy: 0.3855805254939442
Energy: 0.33386042856996906
Energy: 0.43761940393763893
Energy: 0.4178945403604627
Energy: 0.3739586554094607
Energy: 0.47358768167254545
Energy: 0.43882853716585923

minimum gb energy = 0.32538086532197663 eV
minimum distance =  2.71800582088989 Angstroms
sigma value = 43


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

Energy: 0.2907326457930548
Energy: 0.39060988542665703
Energy: 0.36811196460227497
Energy: 0.3131507755268311
Energy: 0.4761992253163968
Energy: 0.3389791110940709
Energy: 0.42747843012757236
Energy: 0.32092977146106183
Energy: 0.3176048702932564
Energy: 0.406369154663513
Energy: 0.3604937146597027
Energy: 0.31216571571265367
Energy: 0.45233447848872843
Energy: 0.3159212416163707
Energy: 0.31334864444525246
Energy: 0.4030244542906296
Energy: 0.3046956656666544
Energy: 0.31216984460977876
Energy: 0.39118017452418125
Energy: 0.3108360313885083
Energy: 0.3259729379791055
Energy: 0.34040870642491966
Energy: 0.32343906223091035
Energy: 0.3542354341258487
Energy: 0.37546029739608094
Energy: 0.31771882157971454
Energy: 0.31613652671231085
Energy: 0.3988271763413847
Energy: 0.3480604953014347
Energy: 0.3123080718093418
Energy: 0.28052555113815203
Energy: 0.3548213396508691
Energy: 0.31664247888464614
Energy: 0.29301220042945914
Energy: 0.36209887814230163
Energy: 0.296389313191375
Energy: 0.4196635592107461
Energy: 0.35215445527100664
Energy: 0.3578655443182106
Energy: 0.313275807677816
Energy: 0.34826798566394285
Energy: 0.29812030062542455
Energy: 0.4021665147555422
Energy: 0.29557179202489947
Energy: 0.2943854045222985
Energy: 0.30275681185331077
Energy: 0.29086842772412047
Energy: 0.2954609527456925
Energy: 0.3152491915614107
Energy: 0.29835168167967324
Energy: 0.3306965862333796
Energy: 0.31624528749365716
Energy: 0.2951526875358272
Energy: 0.3273282173321861
Energy: 0.3258073565451445
Energy: 0.28237928175095356
Energy: 0.28241347341467027
Energy: 0.327548640992226
Energy: 0.2853370290109372
Energy: 0.28268396770319887
Energy: 0.27695468360720893
Energy: 0.30842973008120983
Energy: 0.2951941636487546
Energy: 0.28812115578904485
Energy: 0.3076115526372779
Energy: 0.28231251756224857
Energy: 0.31871972368233886
Energy: 0.3041150626343832
Energy: 0.30710542996369233
Energy: 0.28429866373495966
Energy: 0.30109112482039074
Energy: 0.2809911675788108
Energy: 0.3823089094938075
Energy: 0.29409673079840204
Energy: 0.32559890024719174
Energy: 0.31652334179309427
Energy: 0.2793880231635267
Energy: 0.32370249421102265
Energy: 0.28410772172010273
Energy: 0.28065686467603557
Energy: 0.2899493329250139
Energy: 0.2855070090914114
Energy: 0.28642778270857056
Energy: 0.2941053449273155
Energy: 0.3048123320104449
Energy: 0.27846434898656297
Energy: 0.27931279853447377
Energy: 0.29700809460077404
Energy: 0.2803219428761295
Energy: 0.2763785419778187
Energy: 0.2800879699759153
Energy: 0.2919635229404672
Energy: 0.2880109437146776
Energy: 0.2797139255097473
Energy: 0.2885395402003073
Energy: 0.2802019917270326
Energy: 0.28641788894274434
Energy: 0.28954967192666703
Energy: 0.29292128680396673
Energy: 0.29555397057856764
Energy: 0.28607359825277034
Energy: 0.27611570103768407
Energy: 0.37095849350812393
Energy: 0.27806248986198584
Energy: 0.275635046165453
Energy: 0.29492136139906755
Energy: 0.27703790649714466
Energy: 0.2802035641326289
Energy: 0.2790792580232176
Energy: 0.28341715075378093
Energy: 0.28529847325947194
Energy: 0.2806204670203589
Energy: 0.3126750274289911
Energy: 0.2838889348235606
Energy: 0.3732366372301988
Energy: 0.28089778419282035
Energy: 0.28060811520534684
Energy: 0.37490531043996983
Energy: 0.2821251613231139
Energy: 0.279419815841568
Energy: 0.29700873364615266
Energy: 0.29449267698236486
Energy: 0.2956561482309738
Energy: 0.280316066396518
Energy: 0.2914637274371209
Energy: 0.28362426625446074
Energy: 0.2816286040457626
Energy: 0.2935639526018784
Energy: 0.29508774726409603
Energy: 0.28481444394278255
Energy: 0.29405718921106017
Energy: 0.28274940160347356
Energy: 0.3164792886063768
Energy: 0.2794345725279322
Energy: 0.2793253450890796
Energy: 0.3140574485354757
Energy: 0.27673303410896527
Energy: 0.2772333640617084
Energy: 0.2961319433422715
Energy: 0.28020053323412997
Energy: 0.30162301180634177
Energy: 0.2967271501555172
Energy: 0.2938747720514569
Energy: 0.30735325374455985
Energy: 0.39094382368531744
Energy: 0.30084572558861683
Energy: 0.34101646829386356
Energy: 0.3227921971391884
Energy: 0.28659045491372453
Energy: 0.3370629888056816
Energy: 0.3647598948958278
Energy: 0.32083160208799033
Energy: 0.3290063092587128
Energy: 0.2925493831744926
Energy: 0.3195630596162604
Energy: 0.2868705014964832
Energy: 0.2791018273945918
Energy: 0.32608720985421064
Energy: 0.30352656107225356
Energy: 0.2927079231394574
Energy: 0.3253021935591039
Energy: 0.29588407183954823
Energy: 0.3266685713906937
Energy: 0.2967663704880819
Energy: 0.2981227504129199
Energy: 0.32635956319086173
Energy: 0.3121832713056955
Energy: 0.30307591542511375
Energy: 0.34610086981678767
Energy: 0.3023240269250596
Energy: 0.3583379425804231
Energy: 0.34619272824085273
Energy: 0.3032264627542288
Energy: 0.360713275004492
Energy: 0.4223946823950857
Energy: 0.30367468763238964
Energy: 0.3079222341885635
Energy: 0.33920185060755126
Energy: 0.29892673996702745
Energy: 0.3061863155350035
Energy: 0.4352937941076276
Energy: 0.3405802863779576
Energy: 0.3427979264052866
Energy: 0.35383080098187497
Energy: 0.34570585661684666
Energy: 0.3366571055484023
Energy: 0.28558044176255515
Energy: 0.3724197989297313
Energy: 0.35095304906743047
Energy: 0.3061976612561141
Energy: 0.37645751118091914
Energy: 0.31078251878343505
Energy: 0.40763288541527365
Energy: 0.35690252314741155
Energy: 0.35170882138724663
Energy: 0.3529601186205218
Energy: 0.3977834496602797
Energy: 0.3422342661721493
Energy: 0.42190439604146035
Energy: 0.3316698371368498
Energy: 0.3372953281240244
Energy: 0.34161362115312943
Energy: 0.3440124223065448
Energy: 0.3846734021370017
Energy: 0.451610295190326
Energy: 0.33029112036527997
Energy: 0.34866499081443914
Energy: 0.40082173368253254
Energy: 0.3230219005237207
Energy: 0.34968037222321435
Energy: 0.4489873481984624
Energy: 0.3501404681393106
Energy: 0.3551513729540075
Energy: 0.40659877788714266
Energy: 0.39836872406034896
Energy: 0.3186445793870936

minimum gb energy = 0.275635046165453 eV
minimum distance =  2.76793952251462 Angstroms
sigma value = 81


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

Energy: 0.1038255290599419
Energy: 0.311835263769553
Energy: 0.0065262578183987825
Energy: 0.007431965659163727
Energy: 0.3060251824336597
Energy: 0.10395755023277313
Energy: 0.22221609375129917
Energy: 0.2075565747032082
Energy: 0.2128240897555184
Energy: 0.239978063447453
Energy: 0.20421321822264518
Energy: 0.2689399456662434
Energy: 0.23358669971323917
Energy: 0.006374626659304932
Energy: 0.00648335959384098
Energy: 0.2446739679280527
Energy: 0.006386875134607296
Energy: 0.028494714882118445
Energy: 0.21103530650116592
Energy: 0.0064245668546528256
Energy: 0.006549077147112391
Energy: 0.2141313148024193
Energy: 0.006348104448299085
Energy: 0.028161740417043463
Energy: 0.02787462014910994
Energy: 0.2334066482033886
Energy: 0.23320103375027224
Energy: 0.02842927446895842
Energy: 0.23698708763878232
Energy: 0.23256118993125946
Energy: 0.006916359745115056
Energy: 0.2292997799129015
Energy: 0.006461750846169797
Energy: 0.007586431680376621
Energy: 0.2262601719069891
Energy: 0.0064249926929525174
Energy: 0.2344638733350964
Energy: 0.20725068204769964
Energy: 0.2196962749269338
Energy: 0.23875474496201485
Energy: 0.20391186948618195
Energy: 0.229887005838358
Energy: 0.23424227888379892
Energy: 0.006349494892523904
Energy: 0.006498314321872695
Energy: 0.23843890798822565
Energy: 0.006307056592017253
Energy: 0.0064577025684689785
Energy: 0.19803184245090555
Energy: 0.006558858756715523
Energy: 0.028768842267711127
Energy: 0.21195624104501096
Energy: 0.00641441514122734
Energy: 0.028954670404263406
Energy: 0.172829993209372
Energy: 0.23081923953427302
Energy: 0.2329187955032603
Energy: 0.006335730512180577
Energy: 0.22932875934384367
Energy: 0.2820841238826291

minimum gb energy = 0.006307056592017253 eV
minimum distance =  2.75351601729246 Angstroms
sigma value = 3


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

Energy: 0.35563109139130433
Energy: 0.36185896361154224
Energy: 0.3795341372961887
Energy: 0.3400819257891761
Energy: 0.35474273077853213
Energy: 0.33402812078167016
Energy: 0.38864159188345726
Energy: 0.3405724297174342
Energy: 0.3423517695262011
Energy: 0.379831898855358
Energy: 0.36748288623077413
Energy: 0.3425397286236952
Energy: 0.36797308546599855
Energy: 0.3282705107028457
Energy: 0.34879955293974857
Energy: 0.36640381956078577
Energy: 0.33407342595258227
Energy: 0.3677131257908812
Energy: 0.35366506517811397
Energy: 0.37099017648530463
Energy: 0.3481992013978562
Energy: 0.3415025585768522
Energy: 0.3105943264363935
Energy: 0.3637286308342734
Energy: 0.3157359204311066
Energy: 0.34268992838310575
Energy: 0.3559143977585776
Energy: 0.31012525705932137
Energy: 0.3666603450440933
Energy: 0.3474312602114294
Energy: 0.3344164764193036
Energy: 0.36981155455287895
Energy: 0.3378628820764153
Energy: 0.28557063763984736
Energy: 0.3244092731541986
Energy: 0.3295593782022778
Energy: 0.3528981812406119
Energy: 0.31795907753189007
Energy: 0.3201432264585434
Energy: 0.35036891394622016
Energy: 0.3139989111397008
Energy: 0.3721055189110737
Energy: 0.35504490101866
Energy: 0.2884039841084973
Energy: 0.34473522614510754
Energy: 0.3616358824143934
Energy: 0.2660695404925754
Energy: 0.32903484963977964
Energy: 0.354834496698108
Energy: 0.3417813443189928
Energy: 0.35741714913052675
Energy: 0.3589864126904228
Energy: 0.28652646434905127
Energy: 0.36010166396885157
Energy: 0.2932088299161958
Energy: 0.32756466531756184
Energy: 0.32348531307331746
Energy: 0.2994777862398109
Energy: 0.3250319718360333
Energy: 0.3200600560348484
Energy: 0.30833301268737245
Energy: 0.32812860976265174
Energy: 0.3432485031308002
Energy: 0.26983283790129164
Energy: 0.3375222375740696
Energy: 0.3275092662808346
Energy: 0.2924582506681393
Energy: 0.343367892365625
Energy: 0.34672631310644997
Energy: 0.2910584826579749
Energy: 0.305372807955708
Energy: 0.29657714791636436
Energy: 0.2979122791042819
Energy: 0.3350045429023913
Energy: 0.3483474887061376
Energy: 0.2960256077837593
Energy: 0.262084518478176
Energy: 0.2954500589527733
Energy: 0.3187961032019372
Energy: 0.27615653800066925
Energy: 0.3315741896207727
Energy: 0.2862615330768521
Energy: 0.28329975821622144
Energy: 0.33073169390273865
Energy: 0.33193705094188963
Energy: 0.27797065736590454
Energy: 0.28516952022549047
Energy: 0.33290972937982427
Energy: 0.27483456173839027
Energy: 0.28524894536878165
Energy: 0.3442399147061246
Energy: 0.33101364501904784
Energy: 0.3302572801527213
Energy: 0.2642939288478505
Energy: 0.3253918429590904
Energy: 0.3280069558306078
Energy: 0.2658190045754844
Energy: 0.32412320775615644
Energy: 0.32654729652880893
Energy: 0.2665434173582574
Energy: 0.3268541211315902
Energy: 0.2688019367369165
Energy: 0.26867396713699154
Energy: 0.3282010871601935
Energy: 0.3252005894454489
Energy: 0.26915250788517825
Energy: 0.29042922658551923
Energy: 0.3257737835845081
Energy: 0.3340974447498954
Energy: 0.26888391309509047
Energy: 0.33973332492215724
Energy: 0.2639074480756262
Energy: 0.26974280089313013
Energy: 0.3243341925110975
Energy: 0.32381119058287267
Energy: 0.27041812438952645
Energy: 0.26960546961915216
Energy: 0.32609975367521926
Energy: 0.26670083221087704
Energy: 0.2670629132623427
Energy: 0.3232604911283429
Energy: 0.32502999160446033
Energy: 0.3255256874320486
Energy: 0.3229126060572177
Energy: 0.3307043431135208
Energy: 0.3268535718162532
Energy: 0.27553171177537616
Energy: 0.32778549399024626
Energy: 0.27809810396539775
Energy: 0.27556107234192473
Energy: 0.32715244205362726
Energy: 0.2818712793439557
Energy: 0.2798352166437728
Energy: 0.3301877486185913
Energy: 0.33312641877401983
Energy: 0.2743587755826376
Energy: 0.331990539553467
Energy: 0.33473447560845787
Energy: 0.34863294583291937
Energy: 0.3048431559321207
Energy: 0.3040006570883358
Energy: 0.26577785256714725
Energy: 0.29944976267338774
Energy: 0.33801969239955587
Energy: 0.2751050051182673
Energy: 0.29684413628157763
Energy: 0.3004889434946764
Energy: 0.30136060572480383
Energy: 0.29310764650368915
Energy: 0.30144430136464034
Energy: 0.334950553862101
Energy: 0.28212322050982896
Energy: 0.33993140601386695
Energy: 0.3337917870025599
Energy: 0.29310227541296746
Energy: 0.34716603880537805
Energy: 0.3238941309044523
Energy: 0.344617047511023
Energy: 0.3250869444662311
Energy: 0.3244511187875017
Energy: 0.2857982192865806
Energy: 0.3259045564562986
Energy: 0.3090285358024086
Energy: 0.3289393950608984
Energy: 0.32634784877038575
Energy: 0.3043478891944006
Energy: 0.3287565934890362
Energy: 0.33011267577461306
Energy: 0.3168384621810269
Energy: 0.368285676667309
Energy: 0.34508860291420107
Energy: 0.2745862728518147
Energy: 0.36906994697481554
Energy: 0.3300975667884305
Energy: 0.31923574421794876
Energy: 0.35769727669555135
Energy: 0.34843620622893634
Energy: 0.31661538249396537
Energy: 0.36242990571967654
Energy: 0.36892632412850274
Energy: 0.35557691493383475
Energy: 0.2960019639010543
Energy: 0.3500118630701967
Energy: 0.35510674157648997
Energy: 0.27217103835571865
Energy: 0.33464355306960103
Energy: 0.3741320718722177
Energy: 0.3509848354092009
Energy: 0.35269097672947336
Energy: 0.36479079703427914
Energy: 0.30360446064856317
Energy: 0.3440354246783673
Energy: 0.32272012613982454
Energy: 0.34273058537661216
Energy: 0.34149157964576293
Energy: 0.32040271476794974
Energy: 0.34295691019828134
Energy: 0.3296747034199379

minimum gb energy = 0.262084518478176 eV
minimum distance =  2.73769687704591 Angstroms
sigma value = 67


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

Energy: 0.44494446480893574
Energy: 0.5103914912173297
Energy: 0.45052123425074925
Energy: 0.34109119993446985
Energy: 0.508103597781456
Energy: 0.4453256346196283
Energy: 0.4484345992328505
Energy: 0.4318830874726507
Energy: 0.42662446794573844
Energy: 0.43434119882650835
Energy: 0.42845909718304204
Energy: 0.4400911140241841
Energy: 0.439081481562733
Energy: 0.3577719555373357
Energy: 0.4410603128437707
Energy: 0.4330519893298791
Energy: 0.35411679802286433
Energy: 0.4321866814378969
Energy: 0.403745262221064
Energy: 0.3964950351011161
Energy: 0.44448760245711777
Energy: 0.39954099233955626
Energy: 0.36792958336069215
Energy: 0.44002936564455575
Energy: 0.40944254800482516
Energy: 0.43077296270985443
Energy: 0.38831795998357843
Energy: 0.40296127140188237
Energy: 0.4280434037918412
Energy: 0.4379918306819481
Energy: 0.42556961241067476
Energy: 0.43484168982756033
Energy: 0.4325043059550651
Energy: 0.35510039587402487
Energy: 0.3926917945414284
Energy: 0.4265330279513788
Energy: 0.4133301782377145
Energy: 0.3587081184678096
Energy: 0.4028501950362285
Energy: 0.41527736059495607
Energy: 0.3567854019810015
Energy: 0.4148970332062082
Energy: 0.4109690517813744
Energy: 0.33383821039099004
Energy: 0.3858983449705154
Energy: 0.41108232179110615
Energy: 0.3315462060268813
Energy: 0.41256102828092345
Energy: 0.40749198622047067
Energy: 0.42858042295531873
Energy: 0.43396152923555265
Energy: 0.3762468708080681
Energy: 0.37061569395229615
Energy: 0.43060376221750407
Energy: 0.35040947920136056
Energy: 0.3603404132969317
Energy: 0.3644219826431
Energy: 0.36947822924097606
Energy: 0.3574171210101554
Energy: 0.3641090685821177
Energy: 0.3859553743819365
Energy: 0.4110278881610374
Energy: 0.41218957207097184
Energy: 0.33175282298266595
Energy: 0.40333647850686716
Energy: 0.41651341965445476
Energy: 0.3354280421108296
Energy: 0.4024916661671001
Energy: 0.40414627699827094
Energy: 0.3346611515897048
Energy: 0.3726823365896628
Energy: 0.3431691070895531
Energy: 0.33806741575560845
Energy: 0.40230934830247345
Energy: 0.4005029328421601
Energy: 0.33768676401641906
Energy: 0.33262316396818536
Energy: 0.34692652274010544
Energy: 0.40945706064496035
Energy: 0.37931710371950683
Energy: 0.40139483135057674
Energy: 0.33157986377560544
Energy: 0.36727678334296776
Energy: 0.40075459264144747
Energy: 0.39045952034196485
Energy: 0.3340354989307386
Energy: 0.3393063933990386
Energy: 0.36978157578332554
Energy: 0.33232796524163055
Energy: 0.34496287792608343
Energy: 0.39017746212936555
Energy: 0.41648410085242293
Energy: 0.40585845260191694
Energy: 0.3727928895468419
Energy: 0.35153699340844435
Energy: 0.4039068572735057
Energy: 0.35886210502665944
Energy: 0.4041631007802531
Energy: 0.37709630594905186
Energy: 0.35899563093182735
Energy: 0.3260546757753591
Energy: 0.36870155612478267
Energy: 0.3599581151870762
Energy: 0.37476284763273343
Energy: 0.4156887234967827
Energy: 0.3600436652951483
Energy: 0.3731765895876133
Energy: 0.367041597457513
Energy: 0.4207130888400536
Energy: 0.42122130786023027
Energy: 0.3817576324752494
Energy: 0.337702404252557
Energy: 0.3903505268832797
Energy: 0.42892359725126444
Energy: 0.36502599171314154
Energy: 0.39809840866414287
Energy: 0.40266089774141883
Energy: 0.36530100306763036
Energy: 0.3941545821007054
Energy: 0.4071947824176675
Energy: 0.39236367685769974
Energy: 0.37776776528516776
Energy: 0.4342242988316528
Energy: 0.39166380518510335
Energy: 0.4188929481578611
Energy: 0.4256115132423107
Energy: 0.43355630796924965
Energy: 0.4292405988328002
Energy: 0.3450505399601515
Energy: 0.4338291674788615
Energy: 0.3380431549370607
Energy: 0.4277462931170609
Energy: 0.44047959579106116
Energy: 0.4000389058173451
Energy: 0.39933593431243153
Energy: 0.4383603670843473
Energy: 0.3947426910246587
Energy: 0.40775127318171356

minimum gb energy = 0.3260546757753591 eV
minimum distance =  2.73091431116791 Angstroms
sigma value = 33


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

Energy: 0.6732353560647103
Energy: 0.5934052328460494
Energy: 0.521632464813421
Energy: 0.39138300215939376
Energy: 0.5905240691680548
Energy: 0.47658310641534074
Energy: 0.5071032478037335
Energy: 0.42305523607368967
Energy: 0.4241901557696615
Energy: 0.47645394371872546
Energy: 0.46733866432782545
Energy: 0.429260085806959
Energy: 0.49813515757878585
Energy: 0.4231536834356661
Energy: 0.39482121052809543
Energy: 0.49866811354782997
Energy: 0.4213583312256407
Energy: 0.420603467359956
Energy: 0.42111872648456133
Energy: 0.4236753610964637
Energy: 0.3954717908290848
Energy: 0.42197986275972116
Energy: 0.4349138608786722
Energy: 0.42525605480014905
Energy: 0.43772145454717426
Energy: 0.4217449693387483
Energy: 0.4248759272168665
Energy: 0.4384920640649797
Energy: 0.41993360249490863
Energy: 0.4295293388934944
Energy: 0.38866103441367994
Energy: 0.440668738666281
Energy: 0.4403259973370511
Energy: 0.3751015892683267
Energy: 0.49012732976766077
Energy: 0.45836027102310506
Energy: 0.42922133334212087
Energy: 0.3801960139804425
Energy: 0.4312136003381762
Energy: 0.430714946608432
Energy: 0.38007795255078797
Energy: 0.38195424911049086
Energy: 0.42398319999156064
Energy: 0.3782782538487883
Energy: 0.39932578812347075
Energy: 0.4246772734556756
Energy: 0.3756689605895259
Energy: 0.43095160708151153
Energy: 0.41074991891901036
Energy: 0.42417291061085843
Energy: 0.42326472532927223
Energy: 0.3816391710596145
Energy: 0.3800718401622701
Energy: 0.46062077542969293
Energy: 0.41460768288439437
Energy: 0.37861496588184507
Energy: 0.3815230128351455
Energy: 0.41584163589546785
Energy: 0.3743766190672615
Energy: 0.3871678997515502
Energy: 0.4490681228456293
Energy: 0.4540468221179234
Energy: 0.44880401218279636
Energy: 0.37484745857645707
Energy: 0.4073246578135792
Energy: 0.44649732895684263
Energy: 0.37805928470949657
Energy: 0.405022928419821
Energy: 0.39160299159275125
Energy: 0.3784158761763307
Energy: 0.4461904147450837
Energy: 0.38722113839645106
Energy: 0.3806236586564342
Energy: 0.4515981554962866
Energy: 0.3839871053184061
Energy: 0.3809763255993424
Energy: 0.380170730072471
Energy: 0.38828676620650976
Energy: 0.3723559934224114
Energy: 0.40069715513283444
Energy: 0.4708426752526725
Energy: 0.36226241897046585
Energy: 0.4008312369962202
Energy: 0.39653673899921127
Energy: 0.3733918529399239
Energy: 0.42688183386246664
Energy: 0.42660398865295973
Energy: 0.3808782648248399
Energy: 0.42405872302001224
Energy: 0.4401357352633681
Energy: 0.3824741112824648
Energy: 0.3938665170489576
Energy: 0.4831251449237624
Energy: 0.3828760004814316
Energy: 0.39634180753040427
Energy: 0.43512265663457517
Energy: 0.5006087263934641
Energy: 0.39105985257659387
Energy: 0.39851676696378985
Energy: 0.5002995253089036
Energy: 0.38827742709913804
Energy: 0.47236960746164985
Energy: 0.5110346814853101
Energy: 0.4278370880191847
Energy: 0.43279068162099643
Energy: 0.47867974305774896
Energy: 0.42520572091010195
Energy: 0.47674140257739656
Energy: 0.5078669357736655
Energy: 0.4926515564635079
Energy: 0.5103896956267155
Energy: 0.38838154922234425
Energy: 0.48928759959119233
Energy: 0.48365620580966545
Energy: 0.4717252615351998
Energy: 0.42187179138240705
Energy: 0.4240594329705126
Energy: 0.4690034656731181
Energy: 0.4650351921103224
Energy: 0.429091653766589
Energy: 0.49887933966655895
Energy: 0.42433871878804924
Energy: 0.3954211470159454
Energy: 0.5056788246875015
Energy: 0.429746872615991
Energy: 0.47697142900713424
Energy: 0.42212389305676884
Energy: 0.42339520100676337
Energy: 0.3947066793054142
Energy: 0.42149138759331856
Energy: 0.4200235386895855
Energy: 0.42366267149118964
Energy: 0.43382441253176873
Energy: 0.4238692986951548
Energy: 0.3806636751865541
Energy: 0.43094057123509777
Energy: 0.42076174512721415
Energy: 0.43012977051028756
Energy: 0.3859561014517903
Energy: 0.515426319693685
Energy: 0.4932528659299256
Energy: 0.3771952816374737
Energy: 0.5068873676618006
Energy: 0.46573401615132864
Energy: 0.43243461961116897
Energy: 0.43087189943324095
Energy: 0.4338708005050209
Energy: 0.4331242514294235
Energy: 0.378635892181108
Energy: 0.40615914432460076
Energy: 0.4229287522779357
Energy: 0.379527562938082
Energy: 0.3981404142816165
Energy: 0.42331181829708886
Energy: 0.376595438356399
Energy: 0.43187169318440716
Energy: 0.41409175832070977
Energy: 0.38015755591856437
Energy: 0.3819246042159727
Energy: 0.41414452187329476
Energy: 0.3890290743241296
Energy: 0.4626323303634712
Energy: 0.4140008517468139
Energy: 0.3781923367085948
Energy: 0.38406017646046686
Energy: 0.41289627407335056
Energy: 0.37480957458798897
Energy: 0.38579956300614293
Energy: 0.4557341609448569
Energy: 0.385466578797365
Energy: 0.45158134907788
Energy: 0.37640278291067514
Energy: 0.3889671129666254
Energy: 0.44717268385025793
Energy: 0.3846242067502568
Energy: 0.4495316674569681
Energy: 0.3821257253896246
Energy: 0.3821677546696763
Energy: 0.45010537922537014
Energy: 0.3903399985516149
Energy: 0.37714241088668066
Energy: 0.4508660471182165
Energy: 0.3774181521635509
Energy: 0.37713610492573224
Energy: 0.3802825283974087
Energy: 0.38626586026454907
Energy: 0.36806944171311173
Energy: 0.3883217741937226
Energy: 0.4628376690160792
Energy: 0.36174933771574946
Energy: 0.44313811537718645
Energy: 0.44739706707554633
Energy: 0.36530637990542286
Energy: 0.4255188572345267
Energy: 0.42802056814553086
Energy: 0.3678610427338132
Energy: 0.42475608193811537
Energy: 0.43615623749758764
Energy: 0.42496376334875074
Energy: 0.4399223633458527
Energy: 0.44457985134610767
Energy: 0.3803816985420442
Energy: 0.3931877874241156
Energy: 0.43899142858196466
Energy: 0.49168719279203105
Energy: 0.3906920625678762
Energy: 0.39811358357879906
Energy: 0.49126143329072275
Energy: 0.3633793137397539
Energy: 0.47977826656170885
Energy: 0.5057834707338897
Energy: 0.4313165782152661
Energy: 0.43229946340017966
Energy: 0.4735961400286369
Energy: 0.4290027043654184
Energy: 0.4290459929031764
Energy: 0.3927947205286996
Energy: 0.48733926079655554
Energy: 0.49606438584120865
Energy: 0.3855279962163861
Energy: 0.48563731953343936
Energy: 0.473961575755298

minimum gb energy = 0.36174933771574946 eV
minimum distance =  2.74014711292426 Angstroms
sigma value = 41


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

Energy: 0.6230507703257085
Energy: 0.680495455011946
Energy: 0.5908963592038154
Energy: 0.5277632467285803
Energy: 0.6758347834714117
Energy: 0.5970398005957475
Energy: 0.5036185651529204
Energy: 0.44208978679784927
Energy: 0.4450882908387021
Energy: 0.44914371601876235
Energy: 0.44101525621546256
Energy: 0.4503948240307739
Energy: 0.5057015308745515
Energy: 0.43906591029256425
Energy: 0.5228637216477692
Energy: 0.5053585224783296
Energy: 0.43670820424031537
Energy: 0.4379770210997492
Energy: 0.502045823098392
Energy: 0.440094226540261
Energy: 0.41418024551492244
Energy: 0.45492882205634566
Energy: 0.45361626764177326
Energy: 0.4928004903080379
Energy: 0.4436239723016577
Energy: 0.44160714837417087
Energy: 0.5063146227393067
Energy: 0.440535070145423
Energy: 0.44044025026225536
Energy: 0.48097469728418935
Energy: 0.5360508650006944
Energy: 0.5373469932490074
Energy: 0.5510210441141048
Energy: 0.42194395116501143
Energy: 0.5383011197277113
Energy: 0.5588905155698405
Energy: 0.45134757683055
Energy: 0.42870636688454417
Energy: 0.42887742818466895
Energy: 0.4485403558167134
Energy: 0.45743727041852916
Energy: 0.45335523124325333
Energy: 0.43703297151822224
Energy: 0.4170213751064427
Energy: 0.45471762656961184
Energy: 0.439489978921423
Energy: 0.42065785070423783
Energy: 0.4482319806575807
Energy: 0.5067778691494087
Energy: 0.5073704851074429
Energy: 0.4167871694155648
Energy: 0.5066707837261539
Energy: 0.46884945853067445
Energy: 0.4166680830627949
Energy: 0.4752401837995858
Energy: 0.4399715129963967
Energy: 0.44417640521153046
Energy: 0.42001332988108936
Energy: 0.43732479778180905
Energy: 0.4647072918250421
Energy: 0.45746108213005393
Energy: 0.4426994803941008
Energy: 0.42019042783226235
Energy: 0.4225642625846839
Energy: 0.4165397526627126
Energy: 0.4208991296953751
Energy: 0.5020236144610489
Energy: 0.5193813406171817
Energy: 0.474072526115499
Energy: 0.50088499449698
Energy: 0.41050200885412685
Energy: 0.49959241837701723
Energy: 0.504349792412099
Energy: 0.44330354388763255
Energy: 0.4558047589820503
Energy: 0.4482652897822138
Energy: 0.45061554150934713
Energy: 0.4511387880851689
Energy: 0.5560374116465769
Energy: 0.5263392992870808
Energy: 0.5843722700300124
Energy: 0.4072998846238791
Energy: 0.5247750515074829
Energy: 0.5916914933866833

minimum gb energy = 0.4072998846238791 eV
minimum distance =  2.72495018001083 Angstroms
sigma value = 11


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

Energy: 0.4586367611144798
Energy: 0.649616320184532
Energy: 0.50106082960251
Energy: 0.574324100026399
Energy: 0.7686552492227631
Energy: 0.5672040650226648
Energy: 0.5895076306339294
Energy: 0.47605243463267144
Energy: 0.47585974431419464
Energy: 0.5275238432680348
Energy: 0.47191624211434774
Energy: 0.4722521497948547
Energy: 0.6123124342177751
Energy: 0.5047535671183109
Energy: 0.5091216589224048
Energy: 0.6135242016891821
Energy: 0.4881208505289929
Energy: 0.5043518572265466
Energy: 0.5249877020524454
Energy: 0.4617453706429942
Energy: 0.4884221291447047
Energy: 0.513644711127669
Energy: 0.5022293471576631
Energy: 0.4875248925376822
Energy: 0.5275013891599616
Energy: 0.4717077820875982
Energy: 0.47469579924336147
Energy: 0.5269433664324465
Energy: 0.4864733990664716
Energy: 0.4781554090524091
Energy: 0.5315439934110646
Energy: 0.4872783518391003
Energy: 0.4867965970913567
Energy: 0.5159644725209975
Energy: 0.4935784570223949
Energy: 0.5043273528750477
Energy: 0.4917217031745766
Energy: 0.5103651898348159
Energy: 0.48801510246269814
Energy: 0.4886161291903095
Energy: 0.48723909161725343
Energy: 0.486834070183878
Energy: 0.48862880295268923
Energy: 0.5194091880605726
Energy: 0.47690087585892055
Energy: 0.47468222988695413
Energy: 0.5267766310505397
Energy: 0.474851587445917
Energy: 0.48544753361592397
Energy: 0.4895085749240673
Energy: 0.4879558332585443
Energy: 0.4900475649719495
Energy: 0.5290672292821088
Energy: 0.4675705023325117
Energy: 0.5036933220255203
Energy: 0.5072700980612648
Energy: 0.5056903144199595
Energy: 0.4964977641152505
Energy: 0.5386868804785631
Energy: 0.4705583078891883
Energy: 0.4852731004236393
Energy: 0.5392851485290991
Energy: 0.4793341844223389
Energy: 0.4747562392146975
Energy: 0.49583505276544665
Energy: 0.4754651338557039
Energy: 0.4755415509541839
Energy: 0.5012392999187785
Energy: 0.49979995911754704
Energy: 0.47667608691703034
Energy: 0.5092320779782945
Energy: 0.5428346933009096
Energy: 0.47334538677847576
Energy: 0.5287083076758482
Energy: 0.5322131046397656
Energy: 0.47277898416692354
Energy: 0.5267656324087578
Energy: 0.4751867427612438
Energy: 0.5000838249698448
Energy: 0.5469754353156131
Energy: 0.5237351806316249
Energy: 0.505626876801394
Energy: 0.5422824728613541
Energy: 0.5049474208582363
Energy: 0.4634678939493491
Energy: 0.5110637004629967
Energy: 0.46438345066651204
Energy: 0.45982683919681167
Energy: 0.5242495716422898
Energy: 0.46451228819423346
Energy: 0.4568337697080168
Energy: 0.46679393903931443
Energy: 0.46150790283077653
Energy: 0.45758934022869685
Energy: 0.5205163170513257
Energy: 0.4676908355514534
Energy: 0.46226280146504717
Energy: 0.5082383470180122
Energy: 0.4668616217764529
Energy: 0.46130687087108313
Energy: 0.5148093431063946
Energy: 0.4856901472449904
Energy: 0.5693186808283761
Energy: 0.5406847777155285
Energy: 0.51995487067436
Energy: 0.4988242208194409
Energy: 0.5388753151763349
Energy: 0.5103759367674952
Energy: 0.4945456987849206
Energy: 0.4966069778593261
Energy: 0.49926605751566555
Energy: 0.4958968240444463
Energy: 0.48863834285696506
Energy: 0.49886930855275824
Energy: 0.5187674257678029
Energy: 0.5047982343348295
Energy: 0.5059479174777175
Energy: 0.5189734362798626
Energy: 0.5035597574308714
Energy: 0.4985612622212914
Energy: 0.5411415674359568
Energy: 0.46386055789951797
Energy: 0.5080390420980717
Energy: 0.5394617435366746
Energy: 0.4822223037983752
Energy: 0.4938196280754592
Energy: 0.4743165342907578
Energy: 0.490660059762266
Energy: 0.4934052216083731
Energy: 0.46698619488793663
Energy: 0.4891411611519012
Energy: 0.4969081600367251
Energy: 0.46966592961103387
Energy: 0.4943757128945141
Energy: 0.5161248417777045
Energy: 0.4833941613087979
Energy: 0.5213277343060778
Energy: 0.5075878511907411
Energy: 0.5152494130447466
Energy: 0.494556984211149
Energy: 0.5055081566879029
Energy: 0.48935684196468165
Energy: 0.49502963002585115
Energy: 0.5000700488293554
Energy: 0.5378924463284379
Energy: 0.5043034667192772
Energy: 0.5011639723041255
Energy: 0.5393247991524922
Energy: 0.4815333876935368
Energy: 0.5154538125993081
Energy: 0.5383531561377192
Energy: 0.4608694066383465
Energy: 0.5015738783614324
Energy: 0.5146691264353492
Energy: 0.46126998955597975
Energy: 0.4817206885076538
Energy: 0.5394875976452171
Energy: 0.46173723186566884
Energy: 0.46521915951955023
Energy: 0.5124594947083514
Energy: 0.4585876923401493
Energy: 0.46216898538874807
Energy: 0.5379828019759154
Energy: 0.45975260415506314
Energy: 0.48006146964445623
Energy: 0.5336126019474673
Energy: 0.458953919603261
Energy: 0.46841923472223956
Energy: 0.609044225401144
Energy: 0.5020827322944778
Energy: 0.4993584624320699
Energy: 0.5413474452037537
Energy: 0.516254955684146
Energy: 0.5133187428510146
Energy: 0.5841607862542235
Energy: 0.4715062436258839
Energy: 0.47375544863042013
Energy: 0.5246454736663677
Energy: 0.47220849083526767
Energy: 0.5269338873519408
Energy: 0.45778227817404504
Energy: 0.48191179050048305
Energy: 0.5422727662691446
Energy: 0.505884631177802
Energy: 0.4790699792504489
Energy: 0.505116254156711

minimum gb energy = 0.4568337697080168 eV
minimum distance =  2.72301165337268 Angstroms
sigma value = 57


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

Energy: 0.7176824406820032
Energy: 0.7525038789132857
Energy: 0.5864238743788767
Energy: 0.6021190060045412
Energy: 0.7496219048961529
Energy: 0.5995046973723746
Energy: 0.5211867615691284
Energy: 0.4617610512379349
Energy: 0.43776915261963684
Energy: 0.46721987583054453
Energy: 0.4607021531534628
Energy: 0.4374172365160728
Energy: 0.5054079144562478
Energy: 0.5323780583538156
Energy: 0.5083150851833418
Energy: 0.5052481002816267
Energy: 0.5338667872207419
Energy: 0.5085285360626424
Energy: 0.4543865664572123
Energy: 0.43575745220470147
Energy: 0.43383573431320865
Energy: 0.4538614614611653
Energy: 0.450532372448413
Energy: 0.43572881307500727
Energy: 0.4756871884782895
Energy: 0.45415030730745687
Energy: 0.43484992114637155
Energy: 0.47417389015163575
Energy: 0.526019844193085
Energy: 0.4332910417348935
Energy: 0.45506594555973023
Energy: 0.5126828879462757
Energy: 0.5159216859245153
Energy: 0.4583408783127235
Energy: 0.5084449413593772
Energy: 0.5042640037746376
Energy: 0.506757701329938
Energy: 0.49652656860828104
Energy: 0.44017864441180254
Energy: 0.5048543791911315
Energy: 0.4908746872127333
Energy: 0.5132910070637224
Energy: 0.5155644300174099
Energy: 0.45954870578437196
Energy: 0.4351351836393987
Energy: 0.4571061938877821
Energy: 0.4742494261738045
Energy: 0.43530763403923084
Energy: 0.45562891758803253
Energy: 0.5009889361646369
Energy: 0.5783049233753407
Energy: 0.4206143413532607
Energy: 0.4958106584257397
Energy: 0.4833392396586955
Energy: 0.43724628309337504
Energy: 0.5200753314491663
Energy: 0.5320223183457673
Energy: 0.4209440049512282
Energy: 0.5138629197236532
Energy: 0.4387129801472673
Energy: 0.5162108009018488
Energy: 0.459003340760447
Energy: 0.43481318508779115
Energy: 0.45676059462686863
Energy: 0.4742607658875206
Energy: 0.43331972057549517
Energy: 0.6834186941709249
Energy: 0.5390300365109667
Energy: 0.5030787469575069
Energy: 0.6766586120213608
Energy: 0.545078783164534
Energy: 0.5063148958153829
Energy: 0.46245984099218174
Energy: 0.4629559113890708
Energy: 0.44083980950909235
Energy: 0.46230647383132784
Energy: 0.4681588472720549
Energy: 0.5079246499480179
Energy: 0.45377660551298965
Energy: 0.5090845552175772
Energy: 0.5117172461610859
Energy: 0.5489625132653925
Energy: 0.5053725091360766
Energy: 0.5120220612492788
Energy: 0.474424032982603
Energy: 0.47830226045963015
Energy: 0.4337340969790761
Energy: 0.4762584750533691
Energy: 0.4762583775691467
Energy: 0.43563299570443564
Energy: 0.5053529076657826
Energy: 0.4801749539435914
Energy: 0.4229772691274647
Energy: 0.5058437305130369
Energy: 0.47753180278728613
Energy: 0.45778171763703496
Energy: 0.41973336072014156
Energy: 0.4605195369691316
Energy: 0.4399675068155936
Energy: 0.4194134283974949
Energy: 0.45818375723533716
Energy: 0.43521225105784567

minimum gb energy = 0.4194134283974949 eV
minimum distance =  2.74927466841205 Angstroms
sigma value = 9


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

Energy: 0.8029980763218889
Energy: 0.8793355282812485
Energy: 0.5248790730593712
Energy: 0.6995345303121683
Energy: 0.6449071469484211
Energy: 0.5265865240068324
Energy: 0.6153087193335874
Energy: 0.5162468112629441
Energy: 0.507351591480264
Energy: 0.5181117358636473
Energy: 0.5120266824614755
Energy: 0.5021504011822207
Energy: 0.5136589936212577
Energy: 0.503847419799669
Energy: 0.5179758443910244
Energy: 0.5141668277179028
Energy: 0.530277881933678
Energy: 0.5167884980661323
Energy: 0.5149975635282484
Energy: 0.5088683497321512
Energy: 0.5156050733761279
Energy: 0.517547793556996
Energy: 0.5059100574227936
Energy: 0.5040422670809904
Energy: 0.5410657937119278
Energy: 0.49709535174992875
Energy: 0.49366350107015217
Energy: 0.5379133505670615
Energy: 0.500918185828775
Energy: 0.4887241712139461
Energy: 0.5130314400823083
Energy: 0.505887983527998
Energy: 0.5055251784231303
Energy: 0.5123738907644189
Energy: 0.5090702022774244
Energy: 0.5047392545632009
Energy: 0.5011588654906347
Energy: 0.5777978044167107
Energy: 0.5322877872347058
Energy: 0.5014234233803285
Energy: 0.5824335926068511
Energy: 0.5331979624351754
Energy: 0.5363509826112396
Energy: 0.5088860428545616
Energy: 0.5095669686841987
Energy: 0.5327126887594981
Energy: 0.5105657382752785
Energy: 0.5198358780182074
Energy: 0.515238312074626
Energy: 0.5102596197585725
Energy: 0.4966375915710425
Energy: 0.5291387918679936
Energy: 0.5060292568248863
Energy: 0.5160482315150479
Energy: 0.5350464761903857
Energy: 0.4890501025020632
Energy: 0.49332091392086763
Energy: 0.5290876179701082
Energy: 0.4865093965929618
Energy: 0.49587515936058846
Energy: 0.5080556013977284
Energy: 0.527790546878023
Energy: 0.5187409606795855
Energy: 0.5057539266385217
Energy: 0.5156703093074015
Energy: 0.4897283026803146
Energy: 0.5145441292513836
Energy: 0.521682674548707
Energy: 0.5258624909639417
Energy: 0.5112484306749376
Energy: 0.5278572020335831
Energy: 0.50152207350809
Energy: 0.653868891879023
Energy: 0.4950166295803491
Energy: 0.49851027375928275
Energy: 0.5222462803363899
Energy: 0.49334329245053166
Energy: 0.5062895379270006
Energy: 0.5173642697299767
Energy: 0.47893058742149514
Energy: 0.5041538547461549
Energy: 0.5081421487807698
Energy: 0.48731396791918924
Energy: 0.508015055961613
Energy: 0.533752774851331
Energy: 0.5181372053924274
Energy: 0.5027295850475907
Energy: 0.5325296931974073
Energy: 0.5081193756338293
Energy: 0.5338699382547704
Energy: 0.525674000984507
Energy: 0.5194675776094259
Energy: 0.5569226632784592
Energy: 0.5258880157519014
Energy: 0.5262288867688785
Energy: 0.551641779461807
Energy: 0.5227953079050867
Energy: 0.5048304300319858
Energy: 0.5141838160014318
Energy: 0.5224806943976142
Energy: 0.479418358678203
Energy: 0.5059773171763512
Energy: 0.6016191708187046
Energy: 0.5337783647593637
Energy: 0.4967882356594432
Energy: 0.569464344354087
Energy: 0.4992039651782628
Energy: 0.5354761959230934
Energy: 0.5086135062808248
Energy: 0.5140453677965605
Energy: 0.5023955222606591
Energy: 0.5079307116814573
Energy: 0.5413990311216863
Energy: 0.5010983116568949
Energy: 0.4913213511589637
Energy: 0.5122834297908686
Energy: 0.5061882580624399
Energy: 0.4927123252694523
Energy: 0.5313524440910514
Energy: 0.5022952497574461
Energy: 0.5514473755260901
Energy: 0.4965509360010704
Energy: 0.5062374814290229
Energy: 0.5139485706552882
Energy: 0.49441346244531886
Energy: 0.5100787431335303

minimum gb energy = 0.47893058742149514 eV
minimum distance =  2.72153546747338 Angstroms
sigma value = 27


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

Energy: 0.6631088627966624
Energy: 0.6684613780193503
Energy: 0.5485707564158888
Energy: 0.5866814217717258
Energy: 0.6613915879219455
Energy: 0.5933541298017957
Energy: 0.536578350641448
Energy: 0.5359262438596595
Energy: 0.595543519999862
Energy: 0.47303009396827284
Energy: 0.5440811949830483
Energy: 0.5387058235842751
Energy: 0.5787610685009413
Energy: 0.5175183515639139
Energy: 0.5132527064763659
Energy: 0.5064229972396299
Energy: 0.5353012379788242
Energy: 0.5528668909522938
Energy: 0.5760155288609371
Energy: 0.5243580186236942
Energy: 0.48406947659840766
Energy: 0.4969658702478478
Energy: 0.4889744571407226
Energy: 0.5531322582664524
Energy: 0.5415782301443335
Energy: 0.527104381660872
Energy: 0.5666535650391437
Energy: 0.5411027639040169
Energy: 0.5626868113332022
Energy: 0.5269345414169297
Energy: 0.6181650632108392
Energy: 0.5454747477286024
Energy: 0.5529812459574599
Energy: 0.5955898097424238
Energy: 0.5508425718156129
Energy: 0.5524841131776317
Energy: 0.5610781852656768
Energy: 0.5529506081866046
Energy: 0.547794791491426
Energy: 0.4901823412312648
Energy: 0.5469739592659028
Energy: 0.541763113353995
Energy: 0.5825057539127223
Energy: 0.5332337992672158
Energy: 0.5700405340962703
Energy: 0.5697490911040339
Energy: 0.5480418126800565
Energy: 0.580739128010383
Energy: 0.5580430732523677
Energy: 0.5733543021723473
Energy: 0.5251428097306965
Energy: 0.5584737016556511
Energy: 0.5720906388783771
Energy: 0.5247213073894187
Energy: 0.5643444390032744
Energy: 0.5561191927329038
Energy: 0.5163229285475467
Energy: 0.547351454737595
Energy: 0.5380754968193759
Energy: 0.519790689336993
Energy: 0.5775757638896235
Energy: 0.4897385784079156
Energy: 0.5672578739387667
Energy: 0.48311944841973936
Energy: 0.5336104959192911
Energy: 0.4851006977422541
Energy: 0.5018220464463533
Energy: 0.523019321473707
Energy: 0.511127734793035
Energy: 0.5014211552913428
Energy: 0.535179804555388
Energy: 0.5102299185032518
Energy: 0.585235037374352
Energy: 0.5150633449500132
Energy: 0.5186393012278873
Energy: 0.5515641167143455
Energy: 0.5096114407857621
Energy: 0.5231332557467
Energy: 0.5495899767503665
Energy: 0.5131616637112235
Energy: 0.512798617781357
Energy: 0.5499459000049745
Energy: 0.5069970964997893
Energy: 0.5217781673184732
Energy: 0.5256877863891392
Energy: 0.517867724139881
Energy: 0.5072975190336402
Energy: 0.525852019418604
Energy: 0.5196887925901271
Energy: 0.5172281254740209
Energy: 0.5747282183613187
Energy: 0.5366610524388836
Energy: 0.5371775014680645
Energy: 0.5593795589629506
Energy: 0.5530287845403496
Energy: 0.5403707154529216
Energy: 0.5187780628129579
Energy: 0.5568255774819648
Energy: 0.5512500037094105
Energy: 0.557111072715871
Energy: 0.5548337460174575
Energy: 0.554544021000821
Energy: 0.5704162951227664
Energy: 0.5477376215063829
Energy: 0.5479317195660309
Energy: 0.5669859522243704
Energy: 0.5407780710122607
Energy: 0.5539075685907259
Energy: 0.5890804798703518
Energy: 0.547358845412436
Energy: 0.5485537890899711
Energy: 0.5775621309830439
Energy: 0.545867262787784
Energy: 0.5431300426437268
Energy: 0.5728043535455295
Energy: 0.5502850526003945
Energy: 0.5489074861024492
Energy: 0.4993615819792935
Energy: 0.5372739810368179
Energy: 0.5446640677500875
Energy: 0.6745270856403345
Energy: 0.5465248324915485
Energy: 0.5456462721623723
Energy: 0.5611519000847244
Energy: 0.5456391246235599
Energy: 0.5476737423793114
Energy: 0.5362372961700873
Energy: 0.5644952334587566
Energy: 0.5465315267634226
Energy: 0.5366418045329577
Energy: 0.5818441201280512
Energy: 0.528402337775212
Energy: 0.5474634343652467
Energy: 0.5576091919884978
Energy: 0.4944303060283591
Energy: 0.4746954766751666
Energy: 0.47783097712572414
Energy: 0.5693751358523159
Energy: 0.5429895932819441
Energy: 0.5754264039142858
Energy: 0.518819755780939
Energy: 0.4732336642118132
Energy: 0.5296513218865684
Energy: 0.5697611280510194
Energy: 0.5063897903003954
Energy: 0.5767451184865472
Energy: 0.577233186874619
Energy: 0.5324609735569896
Energy: 0.5719915802139416
Energy: 0.5239843919862548

minimum gb energy = 0.47303009396827284 eV
minimum distance =  2.68417398975054 Angstroms
sigma value = 19


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

Energy: 0.7587311956659403
Energy: 0.486561669138118
Energy: 0.5844817707822811
Energy: 0.48140459850759143
Energy: 0.5054187401235725
Energy: 0.5844009014452044
Energy: 0.536961592553023
Energy: 0.49204861941400363
Energy: 0.4977609142031839
Energy: 0.4958446672034891
Energy: 0.5049810967126375
Energy: 0.5006503102428773
Energy: 0.49871440906828446
Energy: 0.5041199167021408
Energy: 0.5044956803928132
Energy: 0.4976033340065681
Energy: 0.5134248453212041
Energy: 0.5065581282070201
Energy: 0.5039294542394326
Energy: 0.5325221153261351
Energy: 0.5001448779355706
Energy: 0.506367675165005
Energy: 0.49203475639460853
Energy: 0.4994284320485887
Energy: 0.5269364622832065
Energy: 0.4985702242964066
Energy: 0.5307146619479564
Energy: 0.5239493577098846
Energy: 0.4964051725876644
Energy: 0.5061195602568996
Energy: 0.536421205599446
Energy: 0.49519143387123427
Energy: 0.49835294864010027
Energy: 0.5266043765636604
Energy: 0.4950367710712134
Energy: 0.5336807844485635
Energy: 0.5272038833237406
Energy: 0.5514589477543569
Energy: 0.5476261784373262
Energy: 0.5132329874174859
Energy: 0.5581719047281691
Energy: 0.5439715185294962
Energy: 0.5379470233753562
Energy: 0.5145398238838914
Energy: 0.5014612382087443
Energy: 0.5385856971174845
Energy: 0.5285118819498514
Energy: 0.545858066586339
Energy: 0.5230605614397731
Energy: 0.49694750511850183
Energy: 0.5102511398203099
Energy: 0.5192840945695154
Energy: 0.49814073355805666
Energy: 0.5098426735819165
Energy: 0.5394171078693538
Energy: 0.505553533151245
Energy: 0.5094930931839101
Energy: 0.523019669336846
Energy: 0.5135274612615918
Energy: 0.5093727694879701
Energy: 0.5288026766691509
Energy: 0.4926886440119414
Energy: 0.5829173661428795
Energy: 0.5305471290700075
Energy: 0.613092548302627
Energy: 0.5741175320904791
Energy: 0.4961590167550092
Energy: 0.5285556489744686
Energy: 0.48505939458612
Energy: 0.4906489320614637
Energy: 0.52822559440448
Energy: 0.4829874465230169
Energy: 0.5229783675328984
Energy: 0.49835005585812475
Energy: 0.5430093660281542
Energy: 0.5161895411204328
Energy: 0.5099526409656531
Energy: 0.543254416133368
Energy: 0.5267111225565008
Energy: 0.49741005925688647
Energy: 0.5000891778717315
Energy: 0.5008374904921586
Energy: 0.49846187420310756
Energy: 0.5031994877256437
Energy: 0.4924048308122703
Energy: 0.5032021287652508
Energy: 0.50201047373143
Energy: 0.4914842103019813
Energy: 0.5116631985821399
Energy: 0.49468327573699217
Energy: 0.48967511406075426
Energy: 0.513757245424235
Energy: 0.49660212807519416
Energy: 0.4894758779940634
Energy: 0.5117117066768642
Energy: 0.48842229499705125
Energy: 0.6430476171404204
Energy: 0.4998934138743842
Energy: 0.5079328035763714
Energy: 0.5016050732058587
Energy: 0.5072478441158075
Energy: 0.5047580763397708
Energy: 0.5131816525018067
Energy: 0.49034529673335264
Energy: 0.4948609544512018
Energy: 0.5106053612704856
Energy: 0.4946162317001045
Energy: 0.4982260321381487
Energy: 0.5086726248842216
Energy: 0.5085137441397634
Energy: 0.4900150314361591
Energy: 0.5084201469452787
Energy: 0.5309958916950563
Energy: 0.49575325745843285
Energy: 0.5062575348138849
Energy: 0.5010485035751449
Energy: 0.4985395546237189
Energy: 0.498347425581227
Energy: 0.5326212833977413
Energy: 0.4938362128853076
Energy: 0.511281072307488
Energy: 0.49010177971435415
Energy: 0.49363041590984885
Energy: 0.5139273728899026
Energy: 0.49476730319510814
Energy: 0.4966167084176497
Energy: 0.5201436576404922
Energy: 0.4789701732603703
Energy: 0.48188404551898273
Energy: 0.5157130832768866
Energy: 0.49221615826012555
Energy: 0.4787525041637559
Energy: 0.5133689520927334
Energy: 0.521522173605344
Energy: 0.509560903060512
Energy: 0.5143037849342891
Energy: 0.5294199632766677
Energy: 0.5002733990533251
Energy: 0.4993698486496728
Energy: 0.49552515119104223
Energy: 0.49370976853143084
Energy: 0.4995146031051641
Energy: 0.5012955529957075
Energy: 0.4912617294769116
Energy: 0.5331991958492897
Energy: 0.4853231447725375
Energy: 0.48025164665209324
Energy: 0.5204993014146196
Energy: 0.49405403321554064
Energy: 0.48454368047871543
Energy: 0.5247594680540235
Energy: 0.49722431007369233
Energy: 0.4955531125974438
Energy: 0.5221129268920781
Energy: 0.5009598249879652
Energy: 0.498944515650718
Energy: 0.5008114141976783
Energy: 0.5162993594677859
Energy: 0.5100372475377383
Energy: 0.4997833752355991
Energy: 0.5219215457679038
Energy: 0.5056884908855038
Energy: 0.5001022181994442
Energy: 0.5068405587138914
Energy: 0.5109617431872204
Energy: 0.49933012978190994
Energy: 0.519994480662606
Energy: 0.49978629612520437
Energy: 0.5318136253217519
Energy: 0.539791674772616
Energy: 0.5407725039906824
Energy: 0.5059698230847125
Energy: 0.5376884241747075
Energy: 0.49184898634803154

minimum gb energy = 0.4787525041637559 eV
minimum distance =  2.73956450445307 Angstroms
sigma value = 101


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

Energy: 0.7082276388587491
Energy: 0.516028140279155
Energy: 0.500140075039685
Energy: 0.6585802995974654
Energy: 0.5274151468344587
Energy: 0.6256640024039112
Energy: 0.5004641251743126
Energy: 0.49685188683835846
Energy: 0.49940079153124733
Energy: 0.5640908354129197
Energy: 0.5036456867394715
Energy: 0.502421078486581
Energy: 0.49815132687136154
Energy: 0.49964801298160766
Energy: 0.49537400450194485
Energy: 0.4969415652694212
Energy: 0.4998749842179799
Energy: 0.4962855524481858
Energy: 0.5050817895035749
Energy: 0.5144997954434765
Energy: 0.5129788846681228
Energy: 0.5054470830677976
Energy: 0.5060026733376478
Energy: 0.5064182749673998
Energy: 0.5037832830905221
Energy: 0.4939093888090566
Energy: 0.4955345517694231
Energy: 0.5052794982385664
Energy: 0.4934255874680958
Energy: 0.4989784611553695
Energy: 0.5256391477773371
Energy: 0.5013468702677434
Energy: 0.5163881091739033
Energy: 0.5188357438344328
Energy: 0.4891779182858728
Energy: 0.5130102931447211
Energy: 0.5174749866610583
Energy: 0.4924493825265952
Energy: 0.49055552458533946
Energy: 0.506123354929668
Energy: 0.49600374000845043
Energy: 0.4923019489922849
Energy: 0.5064934568967426
Energy: 0.5150153740018875
Energy: 0.5183584672677255
Energy: 0.5074572171827421
Energy: 0.4998928298729264
Energy: 0.5069034170968908
Energy: 0.4983339733348968
Energy: 0.4854663438760227
Energy: 0.4958768382296948
Energy: 0.4976263562359223
Energy: 0.4979567952718768
Energy: 0.4949853209059528
Energy: 0.5028636876103985
Energy: 0.5107842142429598
Energy: 0.505754132149198
Energy: 0.497851797828876
Energy: 0.5056482529863713
Energy: 0.5166859125336324
Energy: 0.5489025785628675
Energy: 0.4836023453244051
Energy: 0.6290090234041517
Energy: 0.5509307770835971
Energy: 0.4883937416135229
Energy: 0.6094301213821149
Energy: 0.5075269023641299
Energy: 0.5114427402052998
Energy: 0.5097625491969925
Energy: 0.5047557640778548
Energy: 0.5140301884507171
Energy: 0.5046593862353738
Energy: 0.6071973228621051
Energy: 0.4943192170656015
Energy: 0.4930543159508911
Energy: 0.5013918316646979
Energy: 0.4945922123059386
Energy: 0.4946995255020174
Energy: 0.5218057396402753
Energy: 0.49510945134484385
Energy: 0.4977461671974936
Energy: 0.5036376691009322
Energy: 0.5152512013315621
Energy: 0.4980663754899406
Energy: 0.4994349312983574
Energy: 0.495518821145992
Energy: 0.4965715323197829
Energy: 0.49756100818472515
Energy: 0.4949125377307945
Energy: 0.49550663535274836
Energy: 0.5047078360070749
Energy: 0.5030493871449645
Energy: 0.5135712465027468
Energy: 0.4942194234083418
Energy: 0.5045986302184745
Energy: 0.5064257756113998
Energy: 0.7088163144238674
Energy: 0.5466020982486495
Energy: 0.4983715396535292
Energy: 0.488835453758124
Energy: 0.548318968989142
Energy: 0.543184008450578
Energy: 0.5384800142181487
Energy: 0.49996830975352746
Energy: 0.49482407232489417
Energy: 0.5289638325251764
Energy: 0.5004031256410455
Energy: 0.5009863697557396
Energy: 0.5053777983983961
Energy: 0.5008412176096665
Energy: 0.49703169722526275
Energy: 0.49757322056178227
Energy: 0.5018369501999705
Energy: 0.49352659339410526
Energy: 0.5003320946524109
Energy: 0.5005713900435739
Energy: 0.49866205593954116
Energy: 0.5001740672694422
Energy: 0.5047247833471513
Energy: 0.4960659223548815
Energy: 0.5064086572559642
Energy: 0.4944322534593226
Energy: 0.49016402749646304
Energy: 0.5073341046909284
Energy: 0.4941866068217305
Energy: 0.49851112158565347
Energy: 0.5156310382640581
Energy: 0.4998765677822207
Energy: 0.4998144236445213
Energy: 0.5168184460047597
Energy: 0.49427959885995526
Energy: 0.5018420440951673
Energy: 0.5100539054834461
Energy: 0.5204200752819538
Energy: 0.49406454078803846
Energy: 0.5086954806422729
Energy: 0.5007772985775828
Energy: 0.4897400397250317
Energy: 0.5058270197575477
Energy: 0.4987905173346047
Energy: 0.4971206104610244
Energy: 0.5064562361596516
Energy: 0.5035081681674598
Energy: 0.5061329137171732
Energy: 0.5072971641753036
Energy: 0.4948467882996227
Energy: 0.4993771270367054
Energy: 0.5074793791630559
Energy: 0.4936489348331259
Energy: 0.5003112518862279
Energy: 0.496541019851496
Energy: 0.49539486707421226
Energy: 0.49978604917472136
Energy: 0.4949218156319389
Energy: 0.5053868987232426
Energy: 0.49964768639987933
Energy: 0.507714145136419
Energy: 0.49207427428762973
Energy: 0.48895545512039085
Energy: 0.4992501030673711
Energy: 0.4953304547755148
Energy: 0.4834696573039771
Energy: 0.499259231830882
Energy: 0.49633593554551825
Energy: 0.4949039741904302
Energy: 0.5007651416764396
Energy: 0.501254396735302
Energy: 0.49606654341648443
Energy: 0.5112141126514608
Energy: 0.5050165459069689
Energy: 0.5137242245704792
Energy: 0.5040699960026562
Energy: 0.5063036102390873
Energy: 0.5177225026717625
Energy: 0.5052393236648799
Energy: 0.4961631844787218
Energy: 0.4955841800347165
Energy: 0.4972212687091793
Energy: 0.4978539217127583
Energy: 0.4991689671887578
Energy: 0.5011169725949537
Energy: 0.5015302509427256
Energy: 0.5003335321620657
Energy: 0.5015618138501915
Energy: 0.4960479443825377
Energy: 0.49769334264340653
Energy: 0.5024757315083704
Energy: 0.5058594140216792
Energy: 0.5044569117375929
Energy: 0.4963449405295868
Energy: 0.5072586116396572
Energy: 0.49971405678754977
Energy: 0.4977479684862756
Energy: 0.49540557066143015
Energy: 0.510623695453636
Energy: 0.48312419945021734
Energy: 0.49839698161637996
Energy: 0.5096883835640542

minimum gb energy = 0.48312419945021734 eV
minimum distance =  2.7381489126713 Angstroms
sigma value = 33


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

Energy: 0.010029789548232795
Energy: 0.3828109633154016
Energy: 0.010498401806002398
Energy: 0.011216974149438789
Energy: 0.3932670884657802
Energy: 0.010314905923268216
Energy: 0.26032089588657
Energy: 0.08105422828265448
Energy: 0.08188214409984855
Energy: 0.08585792118469411
Energy: 0.08126373821855332
Energy: 0.08037377767663904
Energy: 0.5662330647194833
Energy: 0.3854482241780764
Energy: 0.3837555547088673
Energy: 0.39526964178566765
Energy: 0.39159341797646574
Energy: 0.39374581074950543
Energy: 0.010461235011448557
Energy: 0.08105422828297186
Energy: 0.0818821441001846
Energy: 0.08585792119486903
Energy: 0.0812637382622401
Energy: 0.08037377768057831

minimum gb energy = 0.010029789548232795 eV
minimum distance =  2.87210323340345 Angstroms
sigma value = 1