Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Au__MO_684444719999_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=4.080053508281708
cohesive_energy=3.9303141529833163
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06388753471942e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.8571615914122e-19, 1.9324813688654397e-19, 7.75272444896358e-20, -6.808321432052279e-20, -2.52634416002388e-19, -4.88748788731602e-19, -7.94386412139978e-19, -1.1952926625592618e-18, -1.72852428335724e-18, -2.4493275292274997e-18, -3.44413502304444e-18, -4.81500541639386e-18, -6.75232535869398e-18, -9.61695309322062e-18, -1.410623599992228e-17, -2.1759801737007597e-17, -3.6448717335183e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011900321855088396
Energy: 0.013081700196196876
Energy: 0.012769692652691777
Energy: 0.013797342294610698
Energy: 0.25488344939345453
Energy: 0.012314094867660554
Energy: 0.013081700196689259
Energy: 0.0644504474621658
Energy: 0.06447397695875068
Energy: 0.06455289398711997
Energy: 0.06441697806607485
Energy: 0.06446175729701528
Energy: 0.012769692651953204
Energy: 0.06447397695226764
Energy: 0.0643830336312691
Energy: 0.012413702828633561
Energy: 0.06443455364186026
Energy: 0.06546041174007619
Energy: 0.013797342294610698
Energy: 0.06455289398616257
Energy: 0.012413702828633561
Energy: 0.012231715298439288
Energy: 0.0644842243998113
Energy: 0.012337267555207804
Energy: 0.254883449396573
Energy: 0.06441697806197168
Energy: 0.06443455364331005
Energy: 0.0644842243998113
Energy: 0.0644812656771912
Energy: 0.06433266671120172
Energy: 0.012314094867906748
Energy: 0.06446175730399069
Energy: 0.06546041174297577
Energy: 0.012337267555207804
Energy: 0.06433266671962691
Energy: 0.01242932349103101

minimum gb energy = 0.011900321855088396 eV
minimum distance =  2.87914469411283 Angstroms
sigma value = 1


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

Energy: 0.795803805589498
Energy: 0.5154579415949458
Energy: 0.516001946100008
Energy: 0.4980365756440497
Energy: 0.7431034409798105
Energy: 0.5162761208466053
Energy: 0.7336900223138224
Energy: 0.48097599117782547
Energy: 0.48441506301577375
Energy: 0.46723407669236805
Energy: 0.4899038035073868
Energy: 0.4783969906103504
Energy: 0.7208954764815511
Energy: 0.48052371275561057
Energy: 0.482249398282397
Energy: 0.4789523297694689
Energy: 0.4781706620495353
Energy: 0.483221865718351
Energy: 0.7766256236111415
Energy: 0.4802147002907042
Energy: 0.4979944506422296
Energy: 0.4717374631400717
Energy: 0.4804105903122136
Energy: 0.4797853612585775
Energy: 0.7086859341187987
Energy: 0.48653933385465814
Energy: 0.485073763111771
Energy: 0.47595795843080585
Energy: 0.4876409495483227
Energy: 0.4825735362380106
Energy: 0.7050524739699195
Energy: 0.49752143082368566
Energy: 0.4857293496024664
Energy: 0.47922251654771464
Energy: 0.49816886595421866
Energy: 0.4848065348614641
Energy: 0.7062724307267184
Energy: 0.4832287147193446
Energy: 0.48820545881799543
Energy: 0.4786168050510437
Energy: 0.45786769204477124
Energy: 0.4797452661568065
Energy: 0.6959683084082473
Energy: 0.4810372384639909
Energy: 0.4972583954403662
Energy: 0.45784432518706636
Energy: 0.4803631772485906
Energy: 0.4825924867658188
Energy: 0.5849413429100876
Energy: 0.4789156980994938
Energy: 0.47874310024458944
Energy: 0.49500085476833755
Energy: 0.483180036375643
Energy: 0.4835923354598355
Energy: 0.5911573747046016
Energy: 0.476475533797214
Energy: 0.483188337289647
Energy: 0.481837805831947
Energy: 0.47674965403174474
Energy: 0.48580932009993644
Energy: 0.5835789394193334
Energy: 0.4775351137743615
Energy: 0.4781347860383204
Energy: 0.5161956010610056
Energy: 0.4773668988604591
Energy: 0.4815923768964084
Energy: 0.5336068499887362
Energy: 0.48343932760785835
Energy: 0.4827260732720987
Energy: 0.48714505754071263
Energy: 0.4771061359013031
Energy: 0.4824685299076654
Energy: 0.5297790481776237
Energy: 0.477995594250552
Energy: 0.47823032134807936
Energy: 0.48586643847143707
Energy: 0.4777760522333524
Energy: 0.47866194420509417
Energy: 0.5720973525909696
Energy: 0.4756519691848788
Energy: 0.4986756940642349
Energy: 0.4900765689134916
Energy: 0.4861690629809044
Energy: 0.4809788181055896
Energy: 0.5529198217598192
Energy: 0.47607411008632183
Energy: 0.48291452346184066
Energy: 0.49176883371305113
Energy: 0.47630058800848746
Energy: 0.48530181516278625
Energy: 0.5482938649181426
Energy: 0.4819097902150864
Energy: 0.479650437216108
Energy: 0.4857440473040919
Energy: 0.4832329733161681
Energy: 0.47888121726552674
Energy: 0.6643542926279734
Energy: 0.4787330200077096
Energy: 0.48153591506574567
Energy: 0.47700674949271166
Energy: 0.4779549415188284
Energy: 0.4751581211825085
Energy: 0.6429325211188262
Energy: 0.48140174939937824
Energy: 0.4902658086019202
Energy: 0.48519048966978007
Energy: 0.453649692563208
Energy: 0.491814992222712
Energy: 0.6442547699991072
Energy: 0.49397964499665403
Energy: 0.4920915182569924
Energy: 0.48179106129193944
Energy: 0.4853710672001234
Energy: 0.49150438322633455
Energy: 0.6838398712730853
Energy: 0.48555446733076224
Energy: 0.49259040735014425
Energy: 0.48081735908863954
Energy: 0.4857984211167561
Energy: 0.4917851583769384
Energy: 0.7325351056308266
Energy: 0.48058225133704663
Energy: 0.482336330476064
Energy: 0.47672867060392354
Energy: 0.4730006175492503
Energy: 0.48150148325970543
Energy: 0.7394383092944121
Energy: 0.48152993805654554
Energy: 0.483636940132761
Energy: 0.4758592810393888
Energy: 0.47509032772388204
Energy: 0.4795020439715167
Energy: 0.7328582511241576
Energy: 0.4817823070609579
Energy: 0.48439109062997737
Energy: 0.4771911638001241
Energy: 0.49298091447436887
Energy: 0.477764788781581

minimum gb energy = 0.453649692563208 eV
minimum distance =  2.69217703592156 Angstroms
sigma value = 33


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

Energy: 0.9151331651016694
Energy: 0.553062399597634
Energy: 0.5288911724389979
Energy: 0.530262120333136
Energy: 0.5179635123433592
Energy: 0.5520621587414412
Energy: 0.6230214817689325
Energy: 0.4840579666761158
Energy: 0.48644730552797305
Energy: 0.5041791639583009
Energy: 0.511183397292937
Energy: 0.4896586591951273
Energy: 0.6884926099097742
Energy: 0.4891917286788781
Energy: 0.4881558766326393
Energy: 0.5232817959744573
Energy: 0.5159060709956582
Energy: 0.49635956049827595
Energy: 0.7248074843079985
Energy: 0.5483747011372802
Energy: 0.49568709175699915
Energy: 0.5067462479013572
Energy: 0.5182912282166227
Energy: 0.5134360365835461
Energy: 0.6909517083596649
Energy: 0.48558426641576335
Energy: 0.49284463801171924
Energy: 0.4803194891122234
Energy: 0.5139350989272399
Energy: 0.5118580853400444
Energy: 0.7364790750173706
Energy: 0.5005386485092318
Energy: 0.5047772580021955
Energy: 0.4865363591781699
Energy: 0.5120684865219612
Energy: 0.5422318253044234
Energy: 0.7354484589161594
Energy: 0.5317213755571012
Energy: 0.5319986589894596
Energy: 0.5373376674858519
Energy: 0.5329050545567239
Energy: 0.5411727919941831
Energy: 0.6911320968413937
Energy: 0.5271525479792668
Energy: 0.530204795623636
Energy: 0.4894837124167818
Energy: 0.5280193456042803
Energy: 0.5016691108813232
Energy: 0.6140747797600615
Energy: 0.5083144659671616
Energy: 0.5373315288315147
Energy: 0.554957124290713
Energy: 0.5060633590301041
Energy: 0.5409374192149449
Energy: 0.6104732557554647
Energy: 0.548961746557978
Energy: 0.5485793820096204
Energy: 0.5451320082343739
Energy: 0.5157935105300987
Energy: 0.548917013109312
Energy: 0.6202761088362272
Energy: 0.4979980887851922
Energy: 0.4981340156488293
Energy: 0.5167629087380643
Energy: 0.47015768992342294
Energy: 0.4982626598710262
Energy: 0.5703009973716263
Energy: 0.47179635480962934
Energy: 0.5333085427303678
Energy: 0.5569065413940829
Energy: 0.5038554660915088
Energy: 0.5358259868209024
Energy: 0.5698368856395392
Energy: 0.5309942434231498
Energy: 0.5308614358142791
Energy: 0.5639665346406164
Energy: 0.5372634413613916
Energy: 0.5391339203886409
Energy: 0.5767126045240158
Energy: 0.5164060537123445
Energy: 0.5144503109266556
Energy: 0.571319425987589
Energy: 0.5070289137893443
Energy: 0.5161453919908674
Energy: 0.6151486781218422
Energy: 0.534804531218746
Energy: 0.5480117381083385
Energy: 0.5591393485600322
Energy: 0.5354412804361338
Energy: 0.53290702172066
Energy: 0.6089027232950676
Energy: 0.5379757670456592
Energy: 0.5468670663108921
Energy: 0.5470313920011997
Energy: 0.5387141212152315
Energy: 0.5409677982799801
Energy: 0.6917665353600697
Energy: 0.5410747332954833
Energy: 0.5359596278566475
Energy: 0.5451865389435969
Energy: 0.5407860210139177
Energy: 0.5369315203664647
Energy: 0.6466255425657279
Energy: 0.5151969158364957
Energy: 0.5150289879421002
Energy: 0.5005726390107036
Energy: 0.514995350875867
Energy: 0.5282276169907415
Energy: 0.6479383438211723
Energy: 0.5515242107945969
Energy: 0.5468397527575285
Energy: 0.5075693608213581
Energy: 0.5542630103724973
Energy: 0.5516161436747997
Energy: 0.7062607111780901
Energy: 0.5308597610535629
Energy: 0.5482556258890176
Energy: 0.5347215323010418
Energy: 0.5376390344399933
Energy: 0.548972115878061
Energy: 0.7814752200022734
Energy: 0.5461084122582959
Energy: 0.4980622564472517
Energy: 0.4983048632228591
Energy: 0.5463240503047214
Energy: 0.4979669245407573
Energy: 0.6119532202608903
Energy: 0.5441992070214671
Energy: 0.5353136602364322
Energy: 0.4703222094401907
Energy: 0.5553089058909847
Energy: 0.5337486674841608
Energy: 0.711276872660701
Energy: 0.5258938761883155
Energy: 0.5264917203207147
Energy: 0.5421672683698866
Energy: 0.561819195278199
Energy: 0.5445954857060713
Energy: 0.724808864478456
Energy: 0.5598511120125202
Energy: 0.5600842259570676
Energy: 0.5144435632132246
Energy: 0.5692572202395645
Energy: 0.5232941994154574
Energy: 0.6952689062050198
Energy: 0.5314493414360147
Energy: 0.5376220530127754
Energy: 0.5382119625263927
Energy: 0.5437526353476128
Energy: 0.5501335104908172
Energy: 0.7418649506237437
Energy: 0.5532812778283891
Energy: 0.5363117543168616
Energy: 0.5483252495401552
Energy: 0.5542138329694292
Energy: 0.5370929910315245
Energy: 0.7355174166549729
Energy: 0.5446101768091453
Energy: 0.5377688882143661
Energy: 0.5493132435140818
Energy: 0.5382802844332977
Energy: 0.5506311774559055
Energy: 0.6925498392389602
Energy: 0.5059060942913074
Energy: 0.5284781639370115
Energy: 0.5221478307802195
Energy: 0.5044042321459075
Energy: 0.537518565253143
Energy: 0.6119302743077076
Energy: 0.5016236835436675
Energy: 0.528724775109661
Energy: 0.531855173794445
Energy: 0.5055259598847202
Energy: 0.5473594104562335
Energy: 0.6156117645986257
Energy: 0.5353578616409245
Energy: 0.5479725786179926
Energy: 0.5359817227492724
Energy: 0.5314725057475324
Energy: 0.5440785843220353
Energy: 0.6675264988211619
Energy: 0.47585320430126915
Energy: 0.4855941068463021
Energy: 0.5549898720347183
Energy: 0.4863904185362885
Energy: 0.4982457043631784
Energy: 0.5736621926151556
Energy: 0.47349319259918765
Energy: 0.4709426740276386
Energy: 0.5574770926816056
Energy: 0.4734043915215145
Energy: 0.534370770179823
Energy: 0.5709895813637127
Energy: 0.531237811296677
Energy: 0.5356517237768976
Energy: 0.5715168606412587
Energy: 0.5310056495470543
Energy: 0.5227045878751124
Energy: 0.5732815474951538
Energy: 0.513044943372163
Energy: 0.512398243900519
Energy: 0.5723993865663509
Energy: 0.5160650203185665
Energy: 0.5125569259878987
Energy: 0.607478436895243
Energy: 0.532031114497036
Energy: 0.533835744115004
Energy: 0.5111060563817091
Energy: 0.5456151359229788
Energy: 0.5325201778939669
Energy: 0.6073581629394778
Energy: 0.49211818454947737
Energy: 0.5357288506494761
Energy: 0.5540060428615281
Energy: 0.5459986373276654
Energy: 0.5394434524576864
Energy: 0.607532321222059
Energy: 0.49608644449467976
Energy: 0.5010085603501213
Energy: 0.5029066325172966
Energy: 0.5012650219373982
Energy: 0.5033356462700845
Energy: 0.639552092125658
Energy: 0.49002305286167513
Energy: 0.5061664166654078
Energy: 0.5065702443343126
Energy: 0.48861077218325805
Energy: 0.5053215620868784
Energy: 0.6452338882940976
Energy: 0.489336348761271
Energy: 0.4971598575752496
Energy: 0.5009165934291704
Energy: 0.5009838601587816
Energy: 0.5287899554751855
Energy: 0.6907374018244993
Energy: 0.502308450991579
Energy: 0.5029610705044878
Energy: 0.47272618408131584
Energy: 0.5164204951000398
Energy: 0.4932175641078363
Energy: 0.8131676517944013
Energy: 0.511967082696713
Energy: 0.48542745420698885
Energy: 0.47030247550655374
Energy: 0.4986256190785721
Energy: 0.5023381854783588

minimum gb energy = 0.47015768992342294 eV
minimum distance =  2.60576461827321 Angstroms
sigma value = 51


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

Energy: 0.8270040123017356
Energy: 0.48925197277531796
Energy: 0.48895480819345977
Energy: 0.4926683002099797
Energy: 0.5184931738914179
Energy: 0.5533877262315886
Energy: 0.6701227288521561
Energy: 0.4910442421832252
Energy: 0.49064564939714334
Energy: 0.47494304139498256
Energy: 0.5159760189951281
Energy: 0.4906260441571655
Energy: 0.7215911158006795
Energy: 0.5064095181324862
Energy: 0.4980059142560414
Energy: 0.49111826982488993
Energy: 0.5187833425928126
Energy: 0.5066767897506221
Energy: 0.7199036727000971
Energy: 0.5072819803896453
Energy: 0.5115709512313463
Energy: 0.46682312195472536
Energy: 0.5043793951170047
Energy: 0.5005487807009557
Energy: 0.6281788875727834
Energy: 0.4744230698820618
Energy: 0.4740747815608089
Energy: 0.4746918919894195
Energy: 0.5208538841270571
Energy: 0.5193289557167565
Energy: 0.6281411817623818
Energy: 0.5172350639046625
Energy: 0.5169828778291854
Energy: 0.5192268586244265
Energy: 0.47424621319419485
Energy: 0.5163176767321593
Energy: 0.6308589236647613
Energy: 0.474577554594187
Energy: 0.4743218351024716
Energy: 0.5196536636417645
Energy: 0.4744674032368582
Energy: 0.47458778514998856
Energy: 0.6201235013232728
Energy: 0.4825622462351465
Energy: 0.4834419226627525
Energy: 0.5040659567409014
Energy: 0.46951936793720567
Energy: 0.48596618179407286
Energy: 0.5413682267859712
Energy: 0.5079381009463625
Energy: 0.5080843707296823
Energy: 0.518063917069971
Energy: 0.49410243892628264
Energy: 0.5176536975450183
Energy: 0.5415574545454203
Energy: 0.4749539324554309
Energy: 0.4907995196802798
Energy: 0.5163285242150113
Energy: 0.4743615880173368
Energy: 0.5040518924651461
Energy: 0.5414410262768893
Energy: 0.48398074932200474
Energy: 0.48404559207482317
Energy: 0.5416364098074111
Energy: 0.48456613266396026
Energy: 0.49506284368110226
Energy: 0.5655349713736626
Energy: 0.4750939649090553
Energy: 0.47450885776275087
Energy: 0.5062858186137476
Energy: 0.5003855892411131
Energy: 0.5040008536435941
Energy: 0.5645662126670119
Energy: 0.5080328657450813
Energy: 0.5076665940121768
Energy: 0.5223233814584051
Energy: 0.4928608838660133
Energy: 0.5139307027116577
Energy: 0.5656328635214798
Energy: 0.4851141255208639
Energy: 0.48611995546262415
Energy: 0.5066718464407299
Energy: 0.46994830348162675
Energy: 0.486051994693649
Energy: 0.6697196218207694
Energy: 0.492760607847999
Energy: 0.5082153468918906
Energy: 0.5129727304028495
Energy: 0.49191036264059945
Energy: 0.5082202280064053
Energy: 0.668112904735643
Energy: 0.5069715678237127
Energy: 0.5018080777591719
Energy: 0.4826478255285973
Energy: 0.5196685485980616
Energy: 0.4853766806511178
Energy: 0.6725980732868367
Energy: 0.5053203083578073
Energy: 0.4901420493911379
Energy: 0.5076868748008008
Energy: 0.5264349993708829
Energy: 0.4908444630923857
Energy: 0.7729818884430147
Energy: 0.5097409083231881
Energy: 0.49468711395951087
Energy: 0.5062305273574929
Energy: 0.4913632477393905
Energy: 0.504321716449005

minimum gb energy = 0.46682312195472536 eV
minimum distance =  2.64362567610256 Angstroms
sigma value = 19


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

Energy: 0.7987345817286593
Energy: 0.574297682659787
Energy: 0.4828328789365238
Energy: 0.5481720303066157
Energy: 0.49896108087591345
Energy: 0.5607940526871805
Energy: 0.5497386483597755
Energy: 0.5057591681012339
Energy: 0.5061664966728826
Energy: 0.5129059521992673
Energy: 0.506140796876581
Energy: 0.4974374196746149
Energy: 0.5917347382743835
Energy: 0.5144777213421073
Energy: 0.5179833758561075
Energy: 0.5075188207960369
Energy: 0.5145279898877425
Energy: 0.5083909493703047
Energy: 0.6520797452489115
Energy: 0.5638507780305728
Energy: 0.5582215391736655
Energy: 0.5574341704544445
Energy: 0.5633553601385474
Energy: 0.5516829403955766
Energy: 0.5825901206237337
Energy: 0.516816026332972
Energy: 0.5224466896764117
Energy: 0.5073414208402304
Energy: 0.5543980536841269
Energy: 0.5183621856285519
Energy: 0.5660702442191126
Energy: 0.5380515654960776
Energy: 0.5522431779840716
Energy: 0.5469488366934787
Energy: 0.550623823410638
Energy: 0.5488817953435456
Energy: 0.6754019335002999
Energy: 0.5458155872184891
Energy: 0.5454075937021856
Energy: 0.5509487025949654
Energy: 0.5457352441937221
Energy: 0.5532170933632353
Energy: 0.6257778642662098
Energy: 0.5112896308045346
Energy: 0.5106504828327841
Energy: 0.5563807973645618
Energy: 0.48011406570166537
Energy: 0.4761652041891844
Energy: 0.5624563332789962
Energy: 0.5177358904964818
Energy: 0.5013170284799129
Energy: 0.5617890000171586
Energy: 0.4796217636908045
Energy: 0.4792068144472189
Energy: 0.5623410574747023
Energy: 0.5717519401292586
Energy: 0.5703380356806683
Energy: 0.5624059464357793
Energy: 0.566401586606634
Energy: 0.5695951323806899
Energy: 0.5622847885566854
Energy: 0.5572026757588128
Energy: 0.5574788922736686
Energy: 0.5789326643589088
Energy: 0.5567514516776098
Energy: 0.5793133305681124
Energy: 0.5552370608070645
Energy: 0.5770696265198391
Energy: 0.5699686915622224
Energy: 0.5689858623864876
Energy: 0.572864792687625
Energy: 0.570069682481927
Energy: 0.5523821458405698
Energy: 0.5398834211282857
Energy: 0.6036886699612213
Energy: 0.5521607419769088
Energy: 0.6290983017374713
Energy: 0.6357560090464128
Energy: 0.6097714819041893
Energy: 0.6235791894602237
Energy: 0.6233000325525607
Energy: 0.5554301999241121
Energy: 0.6208902455251802
Energy: 0.6230224083269037
Energy: 0.6955964368822648
Energy: 0.6270072098004705
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Energy: 0.4798386603465179
Energy: 0.5592564841298546
Energy: 0.47589907657810127
Energy: 0.6900931138050257
Energy: 0.5664515222803113
Energy: 0.4769781252173351
Energy: 0.47954440900693396
Energy: 0.5643236137976482
Energy: 0.4762801455920474
Energy: 0.5701962119033138
Energy: 0.6270580231122126
Energy: 0.6270045083149044
Energy: 0.5564817884667091
Energy: 0.6253927634735881
Energy: 0.6268678959799026
Energy: 0.6554586906060066
Energy: 0.6269914790789913
Energy: 0.6212498499986091
Energy: 0.5573039169770521
Energy: 0.6258756235321999
Energy: 0.6198256948788425
Energy: 0.6497485041567552
Energy: 0.5587641539454835
Energy: 0.5586653970462289
Energy: 0.5574882477734406
Energy: 0.5586684644931275
Energy: 0.566083023133791
Energy: 0.6264729767367949
Energy: 0.5513588348139703
Energy: 0.5745093493905548
Energy: 0.6319495050042584
Energy: 0.5516436922355198
Energy: 0.5824642076113226
Energy: 0.6557894866598124
Energy: 0.565970707798301
Energy: 0.569662317320633
Energy: 0.577460556830347
Energy: 0.6401151698987428
Energy: 0.5764640417693092
Energy: 0.6576669309502804
Energy: 0.5722072501570378
Energy: 0.572435089840841
Energy: 0.5637886145707585
Energy: 0.560284078667789
Energy: 0.5671759090642998
Energy: 0.5049024791741925
Energy: 0.47771987849460534
Energy: 0.4722349495386062
Energy: 0.5957297182149903
Energy: 0.5049211905971408
Energy: 0.5071375289353399
Energy: 0.5800095921218807
Energy: 0.5675037501084721
Energy: 0.5712258630553557
Energy: 0.5789527497062154
Energy: 0.5321176723738188
Energy: 0.5599172377153636
Energy: 0.5791011964143856
Energy: 0.5671952430844069
Energy: 0.5771837275767417
Energy: 0.5790196361041181
Energy: 0.5142939062492448
Energy: 0.580379037410243
Energy: 0.6299545247608351
Energy: 0.5571547042765499
Energy: 0.5575112389238714
Energy: 0.49980561700901655
Energy: 0.5567114232745224
Energy: 0.488486227415639
Energy: 0.5932666337411788
Energy: 0.5817890018860749
Energy: 0.5167464009207541
Energy: 0.4962331390890765
Energy: 0.5102148566564857
Energy: 0.5190537889527433
Energy: 0.5520769562359459
Energy: 0.5249798858208542
Energy: 0.5106684487572214
Energy: 0.5500298596341648
Energy: 0.5072917005003064
Energy: 0.5103850537783581
Energy: 0.5871948611859348
Energy: 0.5239444512416339
Energy: 0.5142086359683473
Energy: 0.5134179388962038
Energy: 0.5261370118378353
Energy: 0.5110575075041508
Energy: 0.49261198224622454
Energy: 0.4987956847622892
Energy: 0.47621306486525805
Energy: 0.4797208524506647
Energy: 0.49876736648634545
Energy: 0.5465107986603713

minimum gb energy = 0.4722349495386062 eV
minimum distance =  2.6234280848841 Angstroms
sigma value = 27


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

Energy: 0.5890947296959271
Energy: 0.5162171836182945
Energy: 0.5796118751443822
Energy: 0.47889520971264476
Energy: 0.5020209949066816
Energy: 0.5794073477637433
Energy: 0.526547261054687
Energy: 0.49310260101814785
Energy: 0.4569076658438664
Energy: 0.4482552638138114
Energy: 0.49725185561135704
Energy: 0.41905349983840573
Energy: 0.535934778639463
Energy: 0.4909669522563089
Energy: 0.44867042870889046
Energy: 0.4197424380176072
Energy: 0.49574866708941095
Energy: 0.41925190887995883
Energy: 0.4739486936030256
Energy: 0.4193503501037484
Energy: 0.41857666086974926
Energy: 0.4518846376262455
Energy: 0.45909511635868544
Energy: 0.4184426291030671
Energy: 0.584025767245035
Energy: 0.4229094983669709
Energy: 0.4195579057900956
Energy: 0.46126917329020223
Energy: 0.42749325001758204
Energy: 0.41944800835220514
Energy: 0.4985105519151683
Energy: 0.39940300231303016
Energy: 0.42384070274132535
Energy: 0.49000134605345463
Energy: 0.42426950432945953
Energy: 0.39702333740319207
Energy: 0.5012089429143162
Energy: 0.4462162154220196
Energy: 0.4418218990852861
Energy: 0.4980823393719151
Energy: 0.4466041300653792
Energy: 0.4474335428796949
Energy: 0.500664059605521
Energy: 0.44491655460541557
Energy: 0.4433807596417969
Energy: 0.5001067208545803
Energy: 0.4459991484219291
Energy: 0.44511983329186694
Energy: 0.5343511345533125
Energy: 0.41853670858701725
Energy: 0.44483660106591405
Energy: 0.4988915640282336
Energy: 0.4442985401604983
Energy: 0.4197884699357649
Energy: 0.4772237411930688
Energy: 0.4487513538870068
Energy: 0.44658034734188207
Energy: 0.48442636474752243
Energy: 0.4526723696326604
Energy: 0.44654743893134624
Energy: 0.53568418766982
Energy: 0.4850797215078117
Energy: 0.4843061825476359
Energy: 0.4476353417196191
Energy: 0.4857948419506181
Energy: 0.44808482629885016
Energy: 0.5265472619235305
Energy: 0.4477191472718543
Energy: 0.4569258516507688
Energy: 0.4493092879926932
Energy: 0.44769747356768536
Energy: 0.4189699868758342

minimum gb energy = 0.39702333740319207 eV
minimum distance =  2.73557662288697 Angstroms
sigma value = 9


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

Energy: 0.9702197939122069
Energy: 0.40858051928441974
Energy: 0.4372211893236783
Energy: 0.409041885521977
Energy: 0.4109556924932247
Energy: 0.43684564058022146
Energy: 0.44190353368614915
Energy: 0.39780965301917703
Energy: 0.3830623942732972
Energy: 0.40413933156658133
Energy: 0.42458504914168743
Energy: 0.40378860548589685
Energy: 0.4537765283605503
Energy: 0.4177715406511847
Energy: 0.41585623921432197
Energy: 0.41809831316391666
Energy: 0.43058402535389817
Energy: 0.41387603800754896
Energy: 0.45630510028673754
Energy: 0.3851116766826955
Energy: 0.3850828806783318
Energy: 0.4176077922216485
Energy: 0.39974507232100176
Energy: 0.3852778130843996
Energy: 0.47286788743270647
Energy: 0.39973301350605817
Energy: 0.3757087227035429
Energy: 0.42288549542645365
Energy: 0.39909545400932267
Energy: 0.4083079418752543
Energy: 0.4290426488889997
Energy: 0.38212572762801483
Energy: 0.404748417733471
Energy: 0.42873392252057274
Energy: 0.4108830612031342
Energy: 0.4100720827247834
Energy: 0.4291173498801753
Energy: 0.39025699788359297
Energy: 0.38501654612161273
Energy: 0.4298516379196326
Energy: 0.38735481702344443
Energy: 0.4086054030599452
Energy: 0.4296822915207199
Energy: 0.40469380389309767
Energy: 0.3987057797713254
Energy: 0.4298611227752997
Energy: 0.416860361724442
Energy: 0.40709870644819734
Energy: 0.43168111462257386
Energy: 0.40625226997324987
Energy: 0.4027626727877039
Energy: 0.4243623904882475
Energy: 0.41956943712213735
Energy: 0.40721411546083175
Energy: 0.42554064513512685
Energy: 0.3881843413884216
Energy: 0.3853985471451011
Energy: 0.40979655616089616
Energy: 0.3975153779683983
Energy: 0.3810686942926097
Energy: 0.4206554753893516
Energy: 0.42617896076607625
Energy: 0.4237012991972458
Energy: 0.41207434715200336
Energy: 0.4287972087559809
Energy: 0.408072086978177
Energy: 0.43210481576587856
Energy: 0.4134864729596233
Energy: 0.39743076064630095
Energy: 0.3979439295194158
Energy: 0.42939326220913693
Energy: 0.3847841181398826
Energy: 0.5950744205264578
Energy: 0.41294135059363174
Energy: 0.3849573049319175
Energy: 0.3986966203257793
Energy: 0.41195774236943844
Energy: 0.40734784958782533
Energy: 0.4868374762906427
Energy: 0.4104431674640678
Energy: 0.40835904633273196
Energy: 0.39754315770258536
Energy: 0.40785581756206685
Energy: 0.3854606561712489
Energy: 0.4329620105738403
Energy: 0.41184194191524703
Energy: 0.4119986877328136
Energy: 0.4250163713854444
Energy: 0.4136405927422917
Energy: 0.4076867706344356
Energy: 0.42996639422271454
Energy: 0.4075738033472196
Energy: 0.41842027750464084
Energy: 0.430322100790789
Energy: 0.4172883092924741
Energy: 0.4113923257925096
Energy: 0.4295022898362646
Energy: 0.3852794597867797
Energy: 0.38296160486770875
Energy: 0.42855489167910027
Energy: 0.39454677978522773
Energy: 0.4066063400221663
Energy: 0.47219763395270026
Energy: 0.397039042084462
Energy: 0.4070517843687423
Energy: 0.4129233015479258
Energy: 0.4029087948104118
Energy: 0.386672387861383
Energy: 0.45344299468273525
Energy: 0.40232246921607534
Energy: 0.4039765714441727
Energy: 0.42465835422270465
Energy: 0.4019683278793576
Energy: 0.40934708751725585
Energy: 0.45351221195528935
Energy: 0.4037084820873173
Energy: 0.40716855282193604
Energy: 0.41900290608960533
Energy: 0.41985586542484704
Energy: 0.40977814341697144
Energy: 0.4536766624931794
Energy: 0.406858109856173
Energy: 0.40452544656030054
Energy: 0.4127097901747163
Energy: 0.41704744510614333
Energy: 0.41103194875798493
Energy: 0.4739318836916309
Energy: 0.39844964849965975
Energy: 0.3996828422192936
Energy: 0.40005117734402423
Energy: 0.41756255169390627
Energy: 0.3964620905417155
Energy: 0.4806675531291181
Energy: 0.3952255836083284
Energy: 0.4063528976383607
Energy: 0.3994171324337958
Energy: 0.42480264359766323
Energy: 0.3873391674816547
Energy: 0.4541402948421243
Energy: 0.3903131326409733
Energy: 0.4078059630501194
Energy: 0.4012932726383504
Energy: 0.4313535622099552
Energy: 0.4127574196425427
Energy: 0.602508353025508
Energy: 0.39085205922882627
Energy: 0.5026022317586085
Energy: 0.40749860171137176
Energy: 0.4004413779739384
Energy: 0.40870268160185047
Energy: 0.45372898666431893
Energy: 0.3857464327131627
Energy: 0.3824193575202224
Energy: 0.425125370638681
Energy: 0.3984292746286617
Energy: 0.40762490370561116
Energy: 0.40093268331993437
Energy: 0.38271443356498674
Energy: 0.38274063933955627
Energy: 0.4011796023743139
Energy: 0.4059845663795848
Energy: 0.4154580359954169
Energy: 0.4340027218108809
Energy: 0.38528332676114924
Energy: 0.38557389791308383
Energy: 0.42887428971932684
Energy: 0.3993462942784832
Energy: 0.3831395387118388
Energy: 0.42896192660866905
Energy: 0.3984138843424841
Energy: 0.40658055990819464
Energy: 0.42899044443469136
Energy: 0.4096128402907222
Energy: 0.40846370788862
Energy: 0.4320277742528082
Energy: 0.4042531135357413
Energy: 0.4056195728628754
Energy: 0.4217345107694358
Energy: 0.4165838232361897
Energy: 0.3855615664270635
Energy: 0.4207555231012666
Energy: 0.38643462253253064
Energy: 0.4062280573397437
Energy: 0.41130916998041095
Energy: 0.40587042920492983
Energy: 0.40569084743525624
Energy: 0.4239910257183547
Energy: 0.4063814673153082
Energy: 0.40528829447252807
Energy: 0.4097318307109834
Energy: 0.42902662192709073
Energy: 0.3812043000009888
Energy: 0.4494780537378424
Energy: 0.4133527675654496
Energy: 0.42948646341316454
Energy: 0.408711841720906
Energy: 0.4307013619140165
Energy: 0.38546404540508
Energy: 0.44973876523328277
Energy: 0.42888570336952553
Energy: 0.40620305288248537
Energy: 0.4063763645596874
Energy: 0.4283919090766216
Energy: 0.3848055211483463
Energy: 0.4464482067611985
Energy: 0.39918078238452814
Energy: 0.4097334860428124
Energy: 0.4092144401261795
Energy: 0.42321045299291504
Energy: 0.40806000430927036
Energy: 0.4481366288365297
Energy: 0.412176505561603
Energy: 0.403457265609056
Energy: 0.41999687450534967
Energy: 0.4137232979795941
Energy: 0.3894920325580064
Energy: 0.4307031854565763
Energy: 0.41822892074902135
Energy: 0.4220559002392999
Energy: 0.43073739609333267
Energy: 0.41574044957341266
Energy: 0.39091586872451767
Energy: 0.429752731603381
Energy: 0.4029812541998462
Energy: 0.403180836790616
Energy: 0.42883368798850985
Energy: 0.4025948806141693
Energy: 0.41058845447928627
Energy: 0.45371639854886914
Energy: 0.386583701669349
Energy: 0.38573840064630616
Energy: 0.45220625430248806
Energy: 0.40895832772741697
Energy: 0.43191195705209745
Energy: 0.4537808974441477
Energy: 0.4026168921366769
Energy: 0.40316459306703284
Energy: 0.4243600517625325
Energy: 0.403094965509265
Energy: 0.403568481594705
Energy: 0.45148244982049746
Energy: 0.41234448663135714
Energy: 0.4073692841260456
Energy: 0.4177053512432361
Energy: 0.4039554883988844
Energy: 0.40601836889922166
Energy: 0.45362462984433843
Energy: 0.42071095252133694
Energy: 0.4083351894539111
Energy: 0.4090393810935975
Energy: 0.42061356261126587
Energy: 0.4051213797535801
Energy: 0.471151252505899
Energy: 0.3952043511844874
Energy: 0.40950920648554145
Energy: 0.404911885775557
Energy: 0.4259081244589948
Energy: 0.3872628924215569

minimum gb energy = 0.3757087227035429 eV
minimum distance =  2.69151933763033 Angstroms
sigma value = 57


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

Energy: 0.5044350197867706
Energy: 0.4014649546752145
Energy: 0.3772032570192039
Energy: 0.46514598152352177
Energy: 0.2775983291920112
Energy: 0.4640269116551707
Energy: 0.4883828073685467
Energy: 0.20106984431258618
Energy: 0.3954250891206946
Energy: 0.38993401077998374
Energy: 0.2291106775610689
Energy: 0.3969974281785024
Energy: 0.46134088769780607
Energy: 0.39496566217150786
Energy: 0.4049056497989673
Energy: 0.21401576588490667
Energy: 0.4034322052160968
Energy: 0.4089109308769225
Energy: 0.23999229502420993
Energy: 0.19942606165695553
Energy: 0.19938136722217292
Energy: 0.2028987189633377
Energy: 0.2026873087671515
Energy: 0.21073982238693115
Energy: 0.26015699914945156
Energy: 0.33476589181988237
Energy: 0.3324901207147736
Energy: 0.2800921873509427
Energy: 0.33976245518245324
Energy: 0.21289169960149
Energy: 0.26101250214443594
Energy: 0.3393860432694011
Energy: 0.33281125498403014
Energy: 0.1978890357064218
Energy: 0.3394978871908917
Energy: 0.31878549453115484
Energy: 0.26274404856567257
Energy: 0.19802565993879023
Energy: 0.19842243567602677
Energy: 0.19795864497357024
Energy: 0.200783483835116
Energy: 0.19913807519912427
Energy: 0.27187076750423844
Energy: 0.1971628991841716
Energy: 0.19762200600749055
Energy: 0.20286530029899266
Energy: 0.2050246582620976
Energy: 0.2104480742965164
Energy: 0.1978047293927326
Energy: 0.21090116431870118
Energy: 0.19837326251811435
Energy: 0.1980415102025027
Energy: 0.19822276184726864
Energy: 0.19896439797714136
Energy: 0.20090446286908778
Energy: 0.21201050814289454
Energy: 0.19813449839748246
Energy: 0.20140497258517379
Energy: 0.20507519756527165
Energy: 0.2012948561005243
Energy: 0.19686518740906989
Energy: 0.19776065435293946
Energy: 0.19817303749779117
Energy: 0.19718756574182586
Energy: 0.20012536329031397
Energy: 0.19803379386419173
Energy: 0.1969983934326919
Energy: 0.20390883176342173
Energy: 0.1965798308805739
Energy: 0.19805032183526705
Energy: 0.1987225795445635
Energy: 0.2104112688024687
Energy: 0.2739261958746921
Energy: 0.22006201045228793
Energy: 0.20240511140883347
Energy: 0.19844018014470546
Energy: 0.20227039851426956
Energy: 0.21082351881732023
Energy: 0.2652848518634183
Energy: 0.20299135429388626
Energy: 0.19885043819958448
Energy: 0.19855491859925933
Energy: 0.20408219684193576
Energy: 0.19764374321139985
Energy: 0.2641464294435276
Energy: 0.33911145464675263
Energy: 0.34049534627976297
Energy: 0.2047412749356728
Energy: 0.34033753761003316
Energy: 0.33455023887480656
Energy: 0.23980329399641456
Energy: 0.20398033343925087
Energy: 0.19826451966484404
Energy: 0.2280362026915446
Energy: 0.33556599034763374
Energy: 0.21025407800064816
Energy: 0.45394273084937
Energy: 0.41290439264302314
Energy: 0.4045150086875217
Energy: 0.4024210812898803
Energy: 0.40594659071216405
Energy: 0.4037593632235055
Energy: 0.24053863214863927
Energy: 0.2021125241751751
Energy: 0.4024169443176219
Energy: 0.21872487967334597
Energy: 0.22829577965834866
Energy: 0.3908272650652924
Energy: 0.5153041970848393
Energy: 0.4034938535730821
Energy: 0.40310176752094284
Energy: 0.35168939603324345
Energy: 0.22984369502330926
Energy: 0.3948599775746678

minimum gb energy = 0.1965798308805739 eV
minimum distance =  2.69432043963428 Angstroms
sigma value = 11


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

Energy: 0.7928363121999511
Energy: 0.338059790603793
Energy: 0.4012071036675883
Energy: 0.35667035639333805
Energy: 0.33008865807543386
Energy: 0.3978800701967621
Energy: 0.3378425316792338
Energy: 0.3285315987403053
Energy: 0.3303826174500825
Energy: 0.32502448598604694
Energy: 0.325963710257266
Energy: 0.3237713802977739
Energy: 0.328083774737513
Energy: 0.33367388850853447
Energy: 0.32880154280321333
Energy: 0.3278111756981763
Energy: 0.333366031395346
Energy: 0.3250017007365197
Energy: 0.3287621014812308
Energy: 0.3398056777174852
Energy: 0.32339842095626903
Energy: 0.32864793990863833
Energy: 0.3260729537212824
Energy: 0.3293546579879932
Energy: 0.3264704785399365
Energy: 0.3902014078555545
Energy: 0.3625233934526371
Energy: 0.33645841913527863
Energy: 0.3252186845362525
Energy: 0.32983178150873843
Energy: 0.3499502079305997
Energy: 0.3648312151131447
Energy: 0.3682415667104808
Energy: 0.3340261392160041
Energy: 0.34114796283585014
Energy: 0.36315317282618426
Energy: 0.3536206432394805
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Energy: 0.33872670700852237
Energy: 0.3377701697571031
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Energy: 0.3379863279834184
Energy: 0.33887516649226157
Energy: 0.35336589497001725
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Energy: 0.32369511009003693
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Energy: 0.32541442771246626
Energy: 0.32411382862663035
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Energy: 0.36355455587684665
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Energy: 0.36741500995766924
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Energy: 0.3273011920737836
Energy: 0.3629833107329084
Energy: 0.39000664819123393
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Energy: 0.3413136556584827
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Energy: 0.3284270024751506
Energy: 0.3990125246633938
Energy: 0.3892497273502301
Energy: 0.38806692129074516
Energy: 0.3332219932821536
Energy: 0.3928154736336025
Energy: 0.3878558671593526
Energy: 0.4014915591851013
Energy: 0.33217484430493016
Energy: 0.35433315903903945
Energy: 0.3740257160222893
Energy: 0.3299256143571211
Energy: 0.33300248862533877
Energy: 0.504338108527048
Energy: 0.38975264831228584
Energy: 0.38814062051288606
Energy: 0.3544796987853868
Energy: 0.3933422182454648
Energy: 0.3884313614567603
Energy: 0.5506997306415884
Energy: 0.36469352538943534
Energy: 0.32630604606437974
Energy: 0.46734023901058475
Energy: 0.37972431116603017
Energy: 0.32649215894633543
Energy: 0.378599520881042
Energy: 0.355112169265896
Energy: 0.38939542835283186
Energy: 0.3428296606892238
Energy: 0.3628224203575492
Energy: 0.3887313735968268
Energy: 0.37635602332311474
Energy: 0.328771864997197
Energy: 0.36868963991566767
Energy: 0.33427565133501275
Energy: 0.33491121043379757
Energy: 0.36720229312512404
Energy: 0.446975985580869
Energy: 0.4121736001379392
Energy: 0.33468451405966854
Energy: 0.42502156963061916
Energy: 0.3371019352949471
Energy: 0.3320807795242708
Energy: 0.5045004770942184
Energy: 0.36466001752992566
Energy: 0.35748941781974025
Energy: 0.369744487555176
Energy: 0.389909927860241
Energy: 0.3560466937595514
Energy: 0.4608203492440967
Energy: 0.3372470747106413
Energy: 0.3471268116999184
Energy: 0.4688560224832708
Energy: 0.3408191700831155
Energy: 0.39343338702991554
Energy: 0.3247955738217963
Energy: 0.3654624431990115
Energy: 0.3580752905848099
Energy: 0.32526944185759216
Energy: 0.3633869231626319
Energy: 0.35661991131760246
Energy: 0.3238053881885716
Energy: 0.32858783225628
Energy: 0.3253232258044652
Energy: 0.32406053100828186
Energy: 0.3289054322820868
Energy: 0.3294152204590162
Energy: 0.390558740984412
Energy: 0.3283416668738633
Energy: 0.3302759630778909
Energy: 0.32858034563641403
Energy: 0.32737236691068594
Energy: 0.3279723156183688
Energy: 0.37269468136928446
Energy: 0.32579342226111024
Energy: 0.3288332522990992
Energy: 0.3231156407172889
Energy: 0.32464161921949725
Energy: 0.36400146479591666

minimum gb energy = 0.3116432698417855 eV
minimum distance =  2.67547352231354 Angstroms
sigma value = 41


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

Energy: 0.7399991552112855
Energy: 0.37916816352780974
Energy: 0.3486402449421785
Energy: 0.41159349517364013
Energy: 0.38451832158531685
Energy: 0.4116598189836466
Energy: 0.3642000014599942
Energy: 0.35446628898663696
Energy: 0.3465202029597017
Energy: 0.3494204629975785
Energy: 0.3484328502396927
Energy: 0.34645703594181954
Energy: 0.34821808022333633
Energy: 0.3467448320209496
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Energy: 0.3494547118449645
Energy: 0.3496385663094806
Energy: 0.34615138295390635
Energy: 0.3490026582689215
Energy: 0.34526692962766636
Energy: 0.3473844041121871
Energy: 0.34893898021152536
Energy: 0.349707179094847
Energy: 0.3491376617075369
Energy: 0.347644500811246
Energy: 0.34692873971775545
Energy: 0.3460181777514156
Energy: 0.3591449146853448
Energy: 0.3496941672270161
Energy: 0.3470815040134518
Energy: 0.39298121997938695
Energy: 0.34789530224137866
Energy: 0.34769831494555353
Energy: 0.362433332617442
Energy: 0.3517896418398631
Energy: 0.3534851852630483
Energy: 0.391574024267251
Energy: 0.34956031021960726
Energy: 0.3483370494711341
Energy: 0.349252628360065
Energy: 0.3602759720637014
Energy: 0.34823280354909725
Energy: 0.36329063597427524
Energy: 0.3731478537471019
Energy: 0.37205096936333826
Energy: 0.33108022807442683
Energy: 0.3757476763577995
Energy: 0.347948672004294
Energy: 0.3924727151110508
Energy: 0.3481178137272378
Energy: 0.34707220783414205
Energy: 0.3618155930577569
Energy: 0.34950989809818717
Energy: 0.3466578617137632
Energy: 0.5243389676616151
Energy: 0.35245854206317606
Energy: 0.34701868553776966
Energy: 0.4527431552713809
Energy: 0.36410461983745757
Energy: 0.3479151821950015
Energy: 0.3928378961724162
Energy: 0.3524579314389954
Energy: 0.3466353667043818
Energy: 0.3509213567012821
Energy: 0.3609868098528236
Energy: 0.34562509479579223
Energy: 0.4029707436049129
Energy: 0.3328218908446922
Energy: 0.3319274649440427
Energy: 0.36324245850962117
Energy: 0.33297941993354185
Energy: 0.3468645646527046
Energy: 0.35033964324857453
Energy: 0.3317304080066259
Energy: 0.3316214435636235
Energy: 0.36364346411332193
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Energy: 0.33103900340320647
Energy: 0.3510747291766702
Energy: 0.3516604889532624
Energy: 0.34671118721794003
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Energy: 0.37605053080772627
Energy: 0.36455801709948477
Energy: 0.36636379042823985
Energy: 0.3761421701122447
Energy: 0.3473310151826485
Energy: 0.37245918482216356
Energy: 0.3486400043044558
Energy: 0.35460764563567626
Energy: 0.34773044135798203
Energy: 0.3604078149254232
Energy: 0.349092476460931
Energy: 0.3479469843279129
Energy: 0.6841004783998013
Energy: 0.34858077735993187
Energy: 0.33192478743768555
Energy: 0.36251779185280886
Energy: 0.36240114658731587
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Energy: 0.36372439063368106
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Energy: 0.34997469458931013
Energy: 0.35011885672455245
Energy: 0.36022151289193366
Energy: 0.33286586634432785
Energy: 0.34960422054682705
Energy: 0.35063469968194977
Energy: 0.3479711850459193
Energy: 0.3495669922701891
Energy: 0.34961746097919044
Energy: 0.34766994822549424
Energy: 0.34738018329775877
Energy: 0.34582500620035067
Energy: 0.34656059513603
Energy: 0.34906307043278534
Energy: 0.3500865857752456
Energy: 0.34705166194492454
Energy: 0.3481417369100968
Energy: 0.3473216185014317
Energy: 0.3464518191157372
Energy: 0.34894791910208917
Energy: 0.3488997919994915
Energy: 0.3464050771292279
Energy: 0.36762555991423623
Energy: 0.3620345217407947
Energy: 0.3840013317930633
Energy: 0.41383973798599694
Energy: 0.3465917162975818
Energy: 0.3917180553311988
Energy: 0.3922001401401033
Energy: 0.34809529677406464
Energy: 0.3477275067783532
Energy: 0.36047025579375713
Energy: 0.3490679240634863
Energy: 0.34751712760426906
Energy: 0.36324797157382543
Energy: 0.37523649807198434
Energy: 0.3503792822195416
Energy: 0.35850563127019514
Energy: 0.3765946296084547
Energy: 0.3497728167356455
Energy: 0.391944746032128
Energy: 0.3493158806587214
Energy: 0.3478834195193922
Energy: 0.3605907854799053
Energy: 0.34978955902098696
Energy: 0.34842724031248656
Energy: 0.524965092099188
Energy: 0.352101710588454
Energy: 0.3481068212740269
Energy: 0.35162658872026564
Energy: 0.3612077863106517
Energy: 0.34615403308982756
Energy: 0.5249849042543093
Energy: 0.35252951496409546
Energy: 0.3470806804133315
Energy: 0.3506486044725651
Energy: 0.3645065930595378
Energy: 0.34811351979223343
Energy: 0.3929804950537784
Energy: 0.358972783913743
Energy: 0.35728554050663525
Energy: 0.36078610480081974
Energy: 0.3439833596556685
Energy: 0.35554839906888036
Energy: 0.3508503210818453
Energy: 0.3314996510478505
Energy: 0.3312670675737691
Energy: 0.366076123376251
Energy: 0.3314063503967962
Energy: 0.36033294872983845
Energy: 0.35019681992085266
Energy: 0.3529132857241286
Energy: 0.3513887392196625
Energy: 0.34822953465234324
Energy: 0.3527924111850468
Energy: 0.3516603072313835
Energy: 0.3497962456445906
Energy: 0.3466309359632918
Energy: 0.3452935994847685
Energy: 0.3499327343556841
Energy: 0.3470544626684713
Energy: 0.3477578452486796
Energy: 0.34923796348790864
Energy: 0.35005836119382255
Energy: 0.34619316607513156
Energy: 0.3518034359103569
Energy: 0.35001771331090253
Energy: 0.3478164777381005
Energy: 0.6842085026912013
Energy: 0.34944950307298345
Energy: 0.3335645305660819
Energy: 0.33396336860231185
Energy: 0.3458752724625925
Energy: 0.3326719226591789

minimum gb energy = 0.33103900340320647 eV
minimum distance =  2.69320780835083 Angstroms
sigma value = 33


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

Energy: 0.47518037284130127
Energy: 0.45137235019737504
Energy: 0.3825127195568786
Energy: 0.37750184211733784
Energy: 0.4518396206829616
Energy: 0.3813459259917399
Energy: 0.40802335844906445
Energy: 0.37297957764135187
Energy: 0.37225012537388175
Energy: 0.383837787462432
Energy: 0.3826677724743998
Energy: 0.3734610260970523
Energy: 0.3855130958449937
Energy: 0.3738673933887194
Energy: 0.37393819888240065
Energy: 0.3741387457656186
Energy: 0.3738559233831397
Energy: 0.3810431312805094
Energy: 0.38673091715304847
Energy: 0.3759038921641269
Energy: 0.3779964656960746
Energy: 0.3738738223596669
Energy: 0.37757533250783776
Energy: 0.3778932316110444
Energy: 0.38469913085864715
Energy: 0.378099149759455
Energy: 0.3628168348046483
Energy: 0.38517783712408266
Energy: 0.38902507659236624
Energy: 0.36358521178975695
Energy: 0.4097489094925657
Energy: 0.37706420629949505
Energy: 0.37802823413316855
Energy: 0.3627138442180345
Energy: 0.37688571658758596
Energy: 0.37898912064257123
Energy: 0.41095427754663466
Energy: 0.3861820763157619
Energy: 0.3867540423399821
Energy: 0.3832875665261813
Energy: 0.3987496979492262
Energy: 0.3774749061718458
Energy: 0.4044327898575129
Energy: 0.39494290767742973
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Energy: 0.3621481932960285
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Energy: 0.3784151393931743
Energy: 0.41038643003284625
Energy: 0.36276916015329064
Energy: 0.3631618312515881
Energy: 0.3983837479925569
Energy: 0.364723103996434
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Energy: 0.373626499984228
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Energy: 0.3805782653362157
Energy: 0.40944222907938316
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Energy: 0.37365274736296844
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Energy: 0.42584339201454785
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Energy: 0.36203961292968173
Energy: 0.3811692457097609
Energy: 0.36928160975779045
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Energy: 0.3624566929829641
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Energy: 0.3621055366384296
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Energy: 0.37552968455968944
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Energy: 0.386676852281235
Energy: 0.38335295580547696
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Energy: 0.3971089663598446
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Energy: 0.6294881225917377
Energy: 0.37728938221496033
Energy: 0.37475469387187604
Energy: 0.37648097143987047
Energy: 0.4083482330841657
Energy: 0.3800580355725966
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Energy: 0.36321286795547947
Energy: 0.4026926500102762
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Energy: 0.3630024632999191
Energy: 0.3852763395489629
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Energy: 0.36231230051602503
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Energy: 0.36387473443271834
Energy: 0.36311704109739074
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Energy: 0.36398770687782755
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Energy: 0.3790425442543837
Energy: 0.41504282111235086
Energy: 0.37978953485505473
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Energy: 0.38616285773642534
Energy: 0.37431529410655523
Energy: 0.3747976016743001
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Energy: 0.3808488932534297
Energy: 0.36567935717130784
Energy: 0.4090088482337652
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Energy: 0.37319578379046214
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Energy: 0.3727244368935113
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Energy: 0.38071866719670666
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Energy: 0.3881592918534122
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Energy: 0.3757560116445864
Energy: 0.3618087195278054
Energy: 0.36519207169635765
Energy: 0.36316487986803797
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Energy: 0.36487936597559306
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Energy: 0.4143491162201943
Energy: 0.380000461091536
Energy: 0.3924401529684223
Energy: 0.4140747501800388
Energy: 0.38133300068003356
Energy: 0.3933689694389009
Energy: 0.3871214954269606
Energy: 0.3737353727111917
Energy: 0.37552241473310466
Energy: 0.3773418089607728
Energy: 0.3831108256191307
Energy: 0.3761509900325056
Energy: 0.6342363134621485
Energy: 0.3650731573160597
Energy: 0.36238312167457004
Energy: 0.36276661886547557
Energy: 0.3701313231031966
Energy: 0.36220249331436266

minimum gb energy = 0.3618087195278054 eV
minimum distance =  2.70125174286749 Angstroms
sigma value = 67


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

Energy: 0.5623717522550993
Energy: 0.4067839850100376
Energy: 0.40749132097556395
Energy: 0.40803152457155584
Energy: 0.42317073036500297
Energy: 0.40908429637550564
Energy: 0.44390018446441337
Energy: 0.3947632711392286
Energy: 0.39486270695603154
Energy: 0.39452864816884
Energy: 0.39560315698739623
Energy: 0.39448058336832825
Energy: 0.41474256811535154
Energy: 0.38278012920300863
Energy: 0.3955500857409387
Energy: 0.3959017058790016
Energy: 0.3810573626980456
Energy: 0.3953927066861321
Energy: 0.4149564630382197
Energy: 0.3955105882745255
Energy: 0.3953826794502715
Energy: 0.39400818131228765
Energy: 0.39544786353483047
Energy: 0.39540237569969566
Energy: 0.41787159023755865
Energy: 0.39533530039902165
Energy: 0.3962803764698233
Energy: 0.4179930771979367
Energy: 0.3952504935811454
Energy: 0.3966262451312782
Energy: 0.41885033098771207
Energy: 0.39740845994665086
Energy: 0.3973875964526364
Energy: 0.41917294786553533
Energy: 0.39753612440227193
Energy: 0.39766750452447425
Energy: 0.4438178865039817
Energy: 0.3955157529104229
Energy: 0.39461214365818714
Energy: 0.3781459092576089
Energy: 0.39518778272074134
Energy: 0.3944107917272963

minimum gb energy = 0.3781459092576089 eV
minimum distance =  2.74429980062908 Angstroms
sigma value = 3


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

Energy: 0.6317853099832659
Energy: 0.46069453843132513
Energy: 0.4606926314356002
Energy: 0.5016263891319489
Energy: 0.5282732935264854
Energy: 0.45725400191828947
Energy: 0.4540996218982206
Energy: 0.4638022107409775
Energy: 0.4614529449592989
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Energy: 0.4704681823974638
Energy: 0.457678191126435
Energy: 0.4781259938657689
Energy: 0.4561208213855371
Energy: 0.45621203045387976
Energy: 0.4779825486002423
Energy: 0.4562147136101197
Energy: 0.453499405210081
Energy: 0.45180389068345317
Energy: 0.4552012023740479
Energy: 0.45327246876108673
Energy: 0.4523994440447368
Energy: 0.4555903096656785
Energy: 0.45315196698529525
Energy: 0.4596841516843255
Energy: 0.45694009565767485
Energy: 0.45685917853106356
Energy: 0.4600623981460188
Energy: 0.4598697168235453
Energy: 0.4522376722947702
Energy: 0.4512629894157728
Energy: 0.45539211404195484
Energy: 0.4547006258819574
Energy: 0.4514020216679055
Energy: 0.459218435159028
Energy: 0.4524844247072684
Energy: 0.4525399567502892
Energy: 0.46701480919699634
Energy: 0.4651286325425065
Energy: 0.45356410366470656
Energy: 0.45825377559839564
Energy: 0.4612912976599022
Energy: 0.5895975775155902
Energy: 0.47653786367018497
Energy: 0.4765923259572584
Energy: 0.47680466856725945
Energy: 0.4768417207099246
Energy: 0.47872364263186606
Energy: 0.45392695931388644
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Energy: 0.4592130521185883
Energy: 0.4587696489649493
Energy: 0.45980345779123694
Energy: 0.4659097018375732
Energy: 0.45263597070012446
Energy: 0.44950689170941976
Energy: 0.4503241852619051
Energy: 0.4904353569214795
Energy: 0.4485453482244228
Energy: 0.47328009123690434
Energy: 0.49304495622486944
Energy: 0.45235786447438764
Energy: 0.45404001717060055
Energy: 0.4610532126431592
Energy: 0.4484449049280635
Energy: 0.47168772294491773
Energy: 0.45407077326577155
Energy: 0.46186860129773494
Energy: 0.4609001611597015
Energy: 0.4564276223573574
Energy: 0.4571462430067932
Energy: 0.4503097548180639
Energy: 0.46602209977495807
Energy: 0.4499943968724711
Energy: 0.4505273169949118
Energy: 0.44857707479851255
Energy: 0.4500471805183027
Energy: 0.4502165557067583
Energy: 0.4882597896142091
Energy: 0.4533978218193448
Energy: 0.45232513589657025
Energy: 0.46078186633435886
Energy: 0.4511021556192011
Energy: 0.45037923448589556
Energy: 0.5164821260041275
Energy: 0.4551620503769422
Energy: 0.5003538383344346
Energy: 0.4551478663656678
Energy: 0.4786784725864154
Energy: 0.45265682381920974
Energy: 0.47539509867982555
Energy: 0.4613045121360267
Energy: 0.46575896928602467
Energy: 0.48347189882275876
Energy: 0.46033978523040503
Energy: 0.4591358244784883
Energy: 0.5334980730140148
Energy: 0.45595720716082266
Energy: 0.4581619155490278
Energy: 0.47237164788624164
Energy: 0.45638288850461006
Energy: 0.46349256434783687
Energy: 0.46439496597826935
Energy: 0.458088193445752
Energy: 0.4651197582915447
Energy: 0.4637496784156935
Energy: 0.4562088170973937
Energy: 0.4705228805684549
Energy: 0.46412841615712264
Energy: 0.4530974891920507
Energy: 0.45122942954133977
Energy: 0.45126742434184963
Energy: 0.492605701971381
Energy: 0.45226101202734026
Energy: 0.5088669391030053
Energy: 0.4537828752227786
Energy: 0.45380973615070297
Energy: 0.45539780461382173
Energy: 0.4560228048345385
Energy: 0.4502274455439608
Energy: 0.4735934176863562
Energy: 0.46436630631634607
Energy: 0.4671213603377106
Energy: 0.454988806629522
Energy: 0.4652499052272232
Energy: 0.46721893194575526
Energy: 0.4605092517716734
Energy: 0.46256079098182035
Energy: 0.4586699083297524
Energy: 0.4604367925067115
Energy: 0.46819312741443503
Energy: 0.45841272059141297
Energy: 0.46508009787858895
Energy: 0.4611413180541573
Energy: 0.46166618013673305
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Energy: 0.4654403629220582
Energy: 0.4609430197241884
Energy: 0.46233423908366406
Energy: 0.4512699991811195
Energy: 0.4509482868499648
Energy: 0.462787907420193
Energy: 0.449963231707096
Energy: 0.4611943393082897
Energy: 0.4598650732492129
Energy: 0.4583718507143671
Energy: 0.4556405470980976
Energy: 0.45647170285232075
Energy: 0.4628405403111122
Energy: 0.4561948622221404
Energy: 0.6219070233630952
Energy: 0.4879280791114355
Energy: 0.4880827259705467
Energy: 0.4591766126976162
Energy: 0.4534275332874671
Energy: 0.45866523504855883
Energy: 0.4423143970159686
Energy: 0.47321760578997607
Energy: 0.4670915950577403
Energy: 0.44238384483195226
Energy: 0.4682818843607468
Energy: 0.45726874407396734
Energy: 0.4616007496883431
Energy: 0.45794134121110763
Energy: 0.4547230714491988
Energy: 0.4754135297267793
Energy: 0.47179412846647206
Energy: 0.4559997395142899
Energy: 0.4684398181069661
Energy: 0.45626993926690895
Energy: 0.45620929344572037
Energy: 0.46948199601127943
Energy: 0.4564873420107614
Energy: 0.45893557591109
Energy: 0.459392807318603
Energy: 0.4645680369867536
Energy: 0.4605060231478397
Energy: 0.4601876558465615
Energy: 0.4720572777062899
Energy: 0.4657025034415211
Energy: 0.45946775019388336
Energy: 0.4606882716521437
Energy: 0.46032726351469583
Energy: 0.45882833137640444
Energy: 0.4624658607889461
Energy: 0.4627950682158456
Energy: 0.4644922304381423
Energy: 0.46030084221394346
Energy: 0.46143458218238065
Energy: 0.4585836477542617
Energy: 0.46065927263194134
Energy: 0.46661635659063827
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Energy: 0.4680373724215322
Energy: 0.4651266427909852
Energy: 0.4489509048007691
Energy: 0.45817620332790454
Energy: 0.45711036863578064
Energy: 0.449608166236452
Energy: 0.44988529365362334
Energy: 0.47064267800232235
Energy: 0.45437431204632944
Energy: 0.45183143963437156
Energy: 0.44983003304645575
Energy: 0.4632005835144721
Energy: 0.4636445860073196
Energy: 0.47152634024083684
Energy: 0.45615560215491224
Energy: 0.44888209540133683
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Energy: 0.4816520478932394
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Energy: 0.45022484615147823
Energy: 0.48043619189977044
Energy: 0.4487243269546821
Energy: 0.4547670740158018
Energy: 0.4819415882074306
Energy: 0.46668563051271567
Energy: 0.46922591258900714
Energy: 0.46056893678126476
Energy: 0.4651509475797541
Energy: 0.4691101054804256
Energy: 0.4666115845911786
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Energy: 0.450707180912027
Energy: 0.44839546501280303
Energy: 0.45121971297548996
Energy: 0.4502181279006719
Energy: 0.49323436575212415
Energy: 0.45651068538817496
Energy: 0.4582278306478179
Energy: 0.4657342576976994
Energy: 0.4540545360024089
Energy: 0.4550067117305573
Energy: 0.48732183985232974
Energy: 0.45436997677513896
Energy: 0.4515097995781063
Energy: 0.4549610245671499
Energy: 0.45392030871998434
Energy: 0.45179122218296347
Energy: 0.4535692088396333
Energy: 0.45235896844999385
Energy: 0.4531133475589701
Energy: 0.4702325557239332
Energy: 0.45741309322646406
Energy: 0.4511259780611887
Energy: 0.4927535657469397
Energy: 0.45717350745119156
Energy: 0.459360818568751
Energy: 0.47395105450558467
Energy: 0.4587882987836815
Energy: 0.47720824525446204
Energy: 0.5189301396746432
Energy: 0.45613424820290493
Energy: 0.45621252031317233
Energy: 0.5012826048471367
Energy: 0.4556595073454578
Energy: 0.477576965852363
Energy: 0.4590861472891633
Energy: 0.4530405679896289
Energy: 0.45396210491265104
Energy: 0.45256116665073537
Energy: 0.45691687696518074
Energy: 0.45141546704722896
Energy: 0.5825161688592814
Energy: 0.4505712637677375
Energy: 0.4665581447688515
Energy: 0.48930821369677574
Energy: 0.4497868331265391
Energy: 0.4667833945774975
Energy: 0.45859481330931556
Energy: 0.4538125671263824
Energy: 0.4545055459899069
Energy: 0.45652119717291384
Energy: 0.45454653159124686
Energy: 0.4557010332376437
Energy: 0.4519650901186718
Energy: 0.45300386446791135
Energy: 0.4524744862264186
Energy: 0.4545438215638293
Energy: 0.45304276207531174
Energy: 0.45104537919375925
Energy: 0.44984210551041753
Energy: 0.4562465191829235
Energy: 0.4629969100201353
Energy: 0.45073525817220095
Energy: 0.4512469294443126
Energy: 0.4631211736964101
Energy: 0.4506700878187298
Energy: 0.45165934865449076
Energy: 0.4541548332002104
Energy: 0.45105182398846233
Energy: 0.45319562771172134
Energy: 0.45075065553210797
Energy: 0.4550167954375367
Energy: 0.45154359711958564
Energy: 0.4506435608486859
Energy: 0.4620953932396964
Energy: 0.45131219074691625
Energy: 0.45354305214397156
Energy: 0.4538945439388145
Energy: 0.4635691779000234
Energy: 0.4638717393254791
Energy: 0.46760671197978093
Energy: 0.4529269772983148
Energy: 0.4592954276237057

minimum gb energy = 0.4423143970159686 eV
minimum distance =  2.66266249806753 Angstroms
sigma value = 81


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

Energy: 0.7540120861258179
Energy: 0.4115535989486397
Energy: 0.4123470085844905
Energy: 0.4952365698155151
Energy: 0.4822415721509573
Energy: 0.4134160641295858
Energy: 0.4104585348082488
Energy: 0.4245476576472817
Energy: 0.4243836680825768
Energy: 0.4226872575985589
Energy: 0.42384631383774884
Energy: 0.42510018196919536
Energy: 0.4219951871507499
Energy: 0.42174351977748215
Energy: 0.4195270826620462
Energy: 0.4255465462369299
Energy: 0.4198431762670601
Energy: 0.42225424648082627
Energy: 0.4189494910568888
Energy: 0.41993846036353155
Energy: 0.4226823849928462
Energy: 0.41931073872677566
Energy: 0.4188437562283685
Energy: 0.42199735609391087
Energy: 0.4196095674545466
Energy: 0.42279679240575857
Energy: 0.4224409690966099
Energy: 0.4197662719971571
Energy: 0.42437634111983524
Energy: 0.4214045092326265
Energy: 0.42560446990470124
Energy: 0.42377196724600796
Energy: 0.42269833975214544
Energy: 0.424759059517565
Energy: 0.42663257909409114
Energy: 0.4221511470386629
Energy: 0.41697152297453466
Energy: 0.42584945285740144
Energy: 0.425579695697762
Energy: 0.42350132265188534
Energy: 0.4254475863379012
Energy: 0.42840469712945517
Energy: 0.5113299122669906
Energy: 0.45084689872456696
Energy: 0.4512713645309082
Energy: 0.42577046557725806
Energy: 0.4514500256994805
Energy: 0.42437247096768166
Energy: 0.417729671434936
Energy: 0.42552924693009964
Energy: 0.4266307671385388
Energy: 0.42262873953866925
Energy: 0.42369389499266097
Energy: 0.4271666616691875
Energy: 0.428938147554798
Energy: 0.4166683661452201
Energy: 0.4145876934939959
Energy: 0.4288402723604882
Energy: 0.4184537049687505
Energy: 0.41278826071231894
Energy: 0.42425649518667097
Energy: 0.4219405826595157
Energy: 0.4198612619718715
Energy: 0.4249171907685279
Energy: 0.4189825190509585
Energy: 0.42419581081562335
Energy: 0.4111590763507262
Energy: 0.4224041100248244
Energy: 0.42222988836686143
Energy: 0.4102673293890316
Energy: 0.42549069591956645
Energy: 0.4227269243526106
Energy: 0.41125880671008197
Energy: 0.42250094740093047
Energy: 0.42048403909722043
Energy: 0.4202949813832284
Energy: 0.42149655906622613
Energy: 0.4201054896078729
Energy: 0.4224296660321162
Energy: 0.422116527010494
Energy: 0.42202640145100667
Energy: 0.4234313633101707
Energy: 0.41815831922664404
Energy: 0.42282768244063623
Energy: 0.5160731140017788
Energy: 0.4263508556770331
Energy: 0.42073511916359985
Energy: 0.4247708561237254
Energy: 0.42365029342841404
Energy: 0.4221821673783771
Energy: 0.422231893944595
Energy: 0.425355899976306
Energy: 0.4251649892554517
Energy: 0.42263641672022517
Energy: 0.4254450186991225
Energy: 0.4261641708379737
Energy: 0.4801861033753796
Energy: 0.4232559276695163
Energy: 0.42191621158416764
Energy: 0.45212448556229334
Energy: 0.41467161103512656
Energy: 0.4254390234081288
Energy: 0.4198299285874312
Energy: 0.42728435218286304
Energy: 0.4306162440744934
Energy: 0.4247514031219843
Energy: 0.42349005428812847
Energy: 0.425980230900228
Energy: 0.41377763530967104
Energy: 0.42551457929349223
Energy: 0.4142566795401788
Energy: 0.41810826215146535
Energy: 0.4270735309135472
Energy: 0.41637497328884515
Energy: 0.4130191584405249
Energy: 0.4231573503094958
Energy: 0.4136303462964895
Energy: 0.41999707253701585
Energy: 0.42764659019952256
Energy: 0.41533475130229924
Energy: 0.4191010822157091
Energy: 0.42691022833217984
Energy: 0.42474854851722743
Energy: 0.42388018644449355
Energy: 0.4235111450162914
Energy: 0.4244113141866739
Energy: 0.4229527531662226
Energy: 0.41989779508049785
Energy: 0.4202383155294673
Energy: 0.4243864120082193
Energy: 0.420478920266778
Energy: 0.4201765318975243
Energy: 0.41711621516536834
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Energy: 0.41750527130775
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Energy: 0.42255337905783236
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Energy: 0.4271554043874887
Energy: 0.42543036022626923
Energy: 0.4234354676164432
Energy: 0.4264719610111917
Energy: 0.424321026653182
Energy: 0.4780006158796796
Energy: 0.45200680420613126
Energy: 0.4530168222575398
Energy: 0.4343686857861568
Energy: 0.45158173645109206
Energy: 0.4543485948594875
Energy: 0.42378280104387933
Energy: 0.42285717991939203
Energy: 0.4230824689238439
Energy: 0.4308821190245839
Energy: 0.42711628939470314
Energy: 0.4309843700327824
Energy: 0.41969194797910975
Energy: 0.4222176669899059
Energy: 0.4258886553839746
Energy: 0.4238256607179864
Energy: 0.41872197440477776
Energy: 0.42434819285782277
Energy: 0.4253534582256128
Energy: 0.4154221229772294
Energy: 0.4135872861665647
Energy: 0.42961867044076474
Energy: 0.41777377796717574
Energy: 0.41111776100284514
Energy: 0.4218323198972899
Energy: 0.42561546278340295
Energy: 0.42550832681204653
Energy: 0.42216089488139036
Energy: 0.4292167603426069
Energy: 0.4251224573719352
Energy: 0.4105049514337678
Energy: 0.4241987535827342
Energy: 0.4229159130974663
Energy: 0.4192567431706206
Energy: 0.42388309002256624
Energy: 0.42133780475454313
Energy: 0.42256779186070287
Energy: 0.4194057917901348
Energy: 0.4230686774682953
Energy: 0.42436965868458304
Energy: 0.4184287028683939
Energy: 0.4222466224339394
Energy: 0.4247473064020261
Energy: 0.42203007627715844
Energy: 0.4216229872589779
Energy: 0.42440952090356515
Energy: 0.42670124157438927
Energy: 0.42212066039978496
Energy: 0.4229890160321411
Energy: 0.4222441548930679
Energy: 0.4219956373977569
Energy: 0.4221874458712281
Energy: 0.4256557655080645
Energy: 0.4227863317436621
Energy: 0.42469585935083476
Energy: 0.4274350404952925
Energy: 0.429561207808883
Energy: 0.4251581291756524
Energy: 0.4322800582986244
Energy: 0.4260577540254465
Energy: 0.48187082280300275
Energy: 0.42732250616976175
Energy: 0.42234014235037737
Energy: 0.4522410861244974
Energy: 0.4275918969394938
Energy: 0.45324452823378614
Energy: 0.4177626159566549
Energy: 0.42510142360590525
Energy: 0.42480394127168497
Energy: 0.4226157571079574
Energy: 0.42376225351583136
Energy: 0.42723724691330317
Energy: 0.6100110528104875
Energy: 0.45165979158120223
Energy: 0.4120609137505718
Energy: 0.4150794466846099
Energy: 0.4268767656216158
Energy: 0.4122434552594131

minimum gb energy = 0.4102673293890316 eV
minimum distance =  2.69705665209489 Angstroms
sigma value = 43


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

Energy: 0.6492952449858468
Energy: 0.45995938511694184
Energy: 0.43992416742128176
Energy: 0.4419268744946664
Energy: 0.5267205098124523
Energy: 0.438593239423447
Energy: 0.42528735368559145
Energy: 0.44171992744994415
Energy: 0.4462388638980244
Energy: 0.4664109386007946
Energy: 0.4419131279497302
Energy: 0.4351488173077027
Energy: 0.484011421302674
Energy: 0.4277656676006594
Energy: 0.4274279573506012
Energy: 0.45151121670135036
Energy: 0.4277725686653239
Energy: 0.4352727241915339
Energy: 0.43260040749401035
Energy: 0.42543629253301607
Energy: 0.43651343515604335
Energy: 0.4325313773306408
Energy: 0.4317861881136684
Energy: 0.43582561883139004
Energy: 0.43099147065609406
Energy: 0.43767744285606264
Energy: 0.4348684449362563
Energy: 0.43304312803493533
Energy: 0.43340613436685893
Energy: 0.4346363690711256
Energy: 0.43227435323888574
Energy: 0.4349679464154963
Energy: 0.4334592513709262
Energy: 0.43539966711138733
Energy: 0.4352679717690221
Energy: 0.4335970603439015
Energy: 0.43337117165446853
Energy: 0.4368197702729632
Energy: 0.43285560262270734
Energy: 0.4367254112953599
Energy: 0.431769749103239
Energy: 0.43481555362252383
Energy: 0.4861960520515149
Energy: 0.4302564716664895
Energy: 0.4302961969432837
Energy: 0.4365484622012833
Energy: 0.430108185872134
Energy: 0.43201169405331624
Energy: 0.4327222163111871
Energy: 0.430220212267802
Energy: 0.43170536995489867
Energy: 0.4335258958844961
Energy: 0.4306742031230414
Energy: 0.43463291481727795
Energy: 0.4319336692062416
Energy: 0.4372345971003977
Energy: 0.43721544468355106
Energy: 0.44602789650756713
Energy: 0.45003272030272373
Energy: 0.43681952938574664
Energy: 0.4371201216903692
Energy: 0.4450460350632473
Energy: 0.45219171330570035
Energy: 0.43247843277001313
Energy: 0.4336880102158778
Energy: 0.4466675007641622
Energy: 0.43978932490503686
Energy: 0.43232159838035095
Energy: 0.43548783387209666
Energy: 0.433822253302725
Energy: 0.43239943300437267
Energy: 0.4350231932382665
Energy: 0.4400208428218817
Energy: 0.4340213407119035
Energy: 0.4414728892483805
Energy: 0.42987988270592753
Energy: 0.43336215444111903
Energy: 0.44134150512396536
Energy: 0.4369421269326273
Energy: 0.43401350409636885
Energy: 0.4367263958951719
Energy: 0.43568594798903976
Energy: 0.43288903031566245
Energy: 0.441458441307825
Energy: 0.43706776563932476
Energy: 0.43950107938801974
Energy: 0.43962536749497744
Energy: 0.44129536062150176
Energy: 0.430836992877125
Energy: 0.4388782017402075
Energy: 0.437289513036086
Energy: 0.4376478009339789
Energy: 0.44140470498545065
Energy: 0.4372550568464149
Energy: 0.4342788055087838
Energy: 0.44202748680692094
Energy: 0.4374451864162293
Energy: 0.4527475753985115
Energy: 0.4527494738871824
Energy: 0.4376084545776358
Energy: 0.4392692297300283
Energy: 0.43713354709647095
Energy: 0.43678623489774165
Energy: 0.44739909879229484
Energy: 0.452293365555922
Energy: 0.44478718528165284
Energy: 0.44488927744225004
Energy: 0.4438429278266036
Energy: 0.43445144529134605
Energy: 0.4368606547672363
Energy: 0.44389519911981834
Energy: 0.4359828719447374
Energy: 0.4368190463705318
Energy: 0.4380299995668191
Energy: 0.43430954918927395
Energy: 0.4370586663372673
Energy: 0.443692633546912
Energy: 0.43741886123293633
Energy: 0.4371178884823925
Energy: 0.43557129464682676
Energy: 0.4364268504562797
Energy: 0.4485825912446685
Energy: 0.4476877989251387
Energy: 0.45080091491905855
Energy: 0.4411865753255717
Energy: 0.4445956136391303
Energy: 0.4934320442479736
Energy: 0.44233932169199286
Energy: 0.43952080452652703
Energy: 0.47610905965890343
Energy: 0.42679358337967416
Energy: 0.48390317574799474
Energy: 0.4476799444542789
Energy: 0.4483573097440386
Energy: 0.44838159490732654
Energy: 0.44534195990310504
Energy: 0.44511760097424463
Energy: 0.45064533272924495
Energy: 0.47363763541832493
Energy: 0.43714944078825974
Energy: 0.4368771269714175
Energy: 0.4557874351011883
Energy: 0.4384773463600168
Energy: 0.4430665722488217
Energy: 0.48751796368557637
Energy: 0.4367539406141762
Energy: 0.437245115540622
Energy: 0.4416077012540965
Energy: 0.43673555451786394
Energy: 0.44330470709644365
Energy: 0.4698446844115385
Energy: 0.4424189751137333
Energy: 0.440303632054781
Energy: 0.4446686881943516
Energy: 0.43809535270993333
Energy: 0.4397444329117668
Energy: 0.4695212405302069
Energy: 0.4426139034688065
Energy: 0.44444668239700247
Energy: 0.43569599574531503
Energy: 0.44218377763270045
Energy: 0.44415976083782116
Energy: 0.4706189891791581
Energy: 0.4383824484495832
Energy: 0.4370297705799721
Energy: 0.431506059259782
Energy: 0.43562179792485045
Energy: 0.43607472201313185
Energy: 0.42865802862008034
Energy: 0.4351675181080334
Energy: 0.43412233401576256
Energy: 0.428614194196123
Energy: 0.43630270397200666
Energy: 0.4330284629576469
Energy: 0.4331351875312615
Energy: 0.43827190173925396
Energy: 0.4372569104952877
Energy: 0.4295352637579926
Energy: 0.43297146690890725
Energy: 0.43380453533287583
Energy: 0.4302366718848669
Energy: 0.4590784712597448
Energy: 0.4474425592644415
Energy: 0.44239602484371343
Energy: 0.46361406619582607
Energy: 0.42741727853890915

minimum gb energy = 0.42528735368559145 eV
minimum distance =  2.67805582041264 Angstroms
sigma value = 57


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

Energy: 0.615779017992106
Energy: 0.44608808025107105
Energy: 0.44617467873054045
Energy: 0.42070084104979366
Energy: 0.498969319422367
Energy: 0.4466162794214773
Energy: 0.4202206314771901
Energy: 0.44006220889648423
Energy: 0.4312700777741849
Energy: 0.4524312890660077
Energy: 0.4510244318174846
Energy: 0.4321123542142775
Energy: 0.4564570501111265
Energy: 0.41450786507965903
Energy: 0.4125640457203307
Energy: 0.44172724807427716
Energy: 0.4136849419603787
Energy: 0.4136565315795585
Energy: 0.4423073735439649
Energy: 0.41176328208710705
Energy: 0.41235981446280046
Energy: 0.4425421218426485
Energy: 0.4119973973089547
Energy: 0.43366256434111816
Energy: 0.4492166993312386
Energy: 0.4281697538199255
Energy: 0.4281372227892377
Energy: 0.4353102611320681
Energy: 0.4316987944563802
Energy: 0.4350581342872166
Energy: 0.4129384843778865
Energy: 0.4306593656162569
Energy: 0.427180200972643
Energy: 0.43399664026582246
Energy: 0.4296699409741059
Energy: 0.42839194470529834
Energy: 0.4514656001608489
Energy: 0.4336305915323703
Energy: 0.433285008410892
Energy: 0.4352324114466388
Energy: 0.4448553578088876
Energy: 0.43153061132494364
Energy: 0.45400580868612056
Energy: 0.4347709000772603
Energy: 0.42679371288334234
Energy: 0.4310071904067286
Energy: 0.4370824796651329
Energy: 0.4386147372650423
Energy: 0.4510186635428315
Energy: 0.43201424017832746
Energy: 0.42866356249845405
Energy: 0.4522244597552395
Energy: 0.4504664596906126
Energy: 0.43239027516987466
Energy: 0.43349067091196186
Energy: 0.4325716611587476
Energy: 0.4355914545746296
Energy: 0.43288424446226875
Energy: 0.43577801622722917
Energy: 0.44220574878428764
Energy: 0.4554568483913591
Energy: 0.42994229681393087
Energy: 0.4342127571928375
Energy: 0.4388882157985908
Energy: 0.4312751185676462
Energy: 0.43020216916699483
Energy: 0.41887001469354157
Energy: 0.45062350750593744
Energy: 0.432432643565275
Energy: 0.4192129138925212
Energy: 0.4523525618602071
Energy: 0.4306717384633254
Energy: 0.42058064095505415
Energy: 0.44302595470669787
Energy: 0.46062466400100177
Energy: 0.4164402448567417
Energy: 0.45919705012282247
Energy: 0.4124471653165778
Energy: 0.4530064165154218
Energy: 0.4338299323641571
Energy: 0.43203803824616727
Energy: 0.4520439094196843
Energy: 0.4286980452170202
Energy: 0.4334003848660913
Energy: 0.4310949303359533
Energy: 0.41895981868190374
Energy: 0.42026952299532777
Energy: 0.4299579229685738
Energy: 0.4116790120186942
Energy: 0.42077971773349876
Energy: 0.444515707540148
Energy: 0.43266159601544457
Energy: 0.43136704713882046
Energy: 0.44478972369841024
Energy: 0.4312253806876213
Energy: 0.4314144871867929
Energy: 0.45186449224561764
Energy: 0.4311622345557062
Energy: 0.4311550752205828
Energy: 0.4288032314729086
Energy: 0.4307755996937403
Energy: 0.42897002226061176
Energy: 0.45182901945881193
Energy: 0.432780215548816
Energy: 0.43311501854701157
Energy: 0.42721006650012544
Energy: 0.4343647694081533
Energy: 0.43444273858013643
Energy: 0.4527828805288972
Energy: 0.44375276500170635
Energy: 0.4338825882177122
Energy: 0.43054142490894026
Energy: 0.44255696951823004
Energy: 0.43041673265965885
Energy: 0.45305019989193
Energy: 0.4429061109674891
Energy: 0.4348033383355889
Energy: 0.43097548397662017
Energy: 0.4426713484453808
Energy: 0.43047974638064834
Energy: 0.4379649267684771
Energy: 0.4301700228071656
Energy: 0.43231037300243386
Energy: 0.43967861232876587
Energy: 0.4527135304378375
Energy: 0.4318905616757921
Energy: 0.470822685171679
Energy: 0.43499815187359625
Energy: 0.4281996493993179
Energy: 0.42906829488248643
Energy: 0.4392143719514073
Energy: 0.4351552444571427
Energy: 0.4529334296562395
Energy: 0.4364626277741782
Energy: 0.4302856158828756
Energy: 0.42891819682605403
Energy: 0.45289177046304296
Energy: 0.43239053139689393
Energy: 0.42070277246763066
Energy: 0.44253385478397417
Energy: 0.46039062002933784
Energy: 0.4171930039413894
Energy: 0.4265416839060063
Energy: 0.41208149125039206

minimum gb energy = 0.4116790120186942 eV
minimum distance =  2.69753249037499 Angstroms
sigma value = 17


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

Energy: 0.7270900451748458
Energy: 0.49444838134678093
Energy: 0.47459923533402737
Energy: 0.4236221855277907
Energy: 0.462881603388728
Energy: 0.43192796114935966
Energy: 0.4324411348533965
Energy: 0.4775971971769637
Energy: 0.4338988134407548
Energy: 0.48452204852520053
Energy: 0.47825893919057794
Energy: 0.4401543272970451
Energy: 0.41681057906142904
Energy: 0.4134230069324559
Energy: 0.4129310806246925
Energy: 0.4666864376777652
Energy: 0.4131390869046465
Energy: 0.4233663784623512
Energy: 0.4675549897812736
Energy: 0.42223875537160266
Energy: 0.4221477812380434
Energy: 0.4678392585134633
Energy: 0.389317318932542
Energy: 0.43828674810500046
Energy: 0.42093157861113695
Energy: 0.40974030763234487
Energy: 0.4068621703204547
Energy: 0.4215147660700318
Energy: 0.41348881758958383
Energy: 0.40776737765636295
Energy: 0.42382702914210385
Energy: 0.41449997093162017
Energy: 0.40621834991623695
Energy: 0.3926244410174689
Energy: 0.4200742531877277
Energy: 0.39120407148465447
Energy: 0.41956534819846136
Energy: 0.41527351750521846
Energy: 0.41582075353399783
Energy: 0.41493135669595715
Energy: 0.41791612833038133
Energy: 0.4026489229278125
Energy: 0.41169178594140854
Energy: 0.3910621549788533
Energy: 0.3911937265018576
Energy: 0.3910850626367634
Energy: 0.3908377990264811
Energy: 0.3909161908648771
Energy: 0.41664191265392875
Energy: 0.3892452910181698
Energy: 0.38926257198931413
Energy: 0.41762357319957394
Energy: 0.39033280446079077
Energy: 0.40373001297853434
Energy: 0.41988777255262444
Energy: 0.40599249414546273
Energy: 0.4062499971299729
Energy: 0.4200691733450991
Energy: 0.4053286623756511
Energy: 0.405925105570214
Energy: 0.4114319584343315
Energy: 0.4070602151431793
Energy: 0.40768740042207613
Energy: 0.41346345389561384
Energy: 0.4218125322095442
Energy: 0.40708707021438223
Energy: 0.42188915713191943
Energy: 0.4691515864862572
Energy: 0.46767164122898447
Energy: 0.4044262515203597
Energy: 0.46941489479793713
Energy: 0.4428364456833923
Energy: 0.41428591288324745
Energy: 0.46677435996381283
Energy: 0.4628289955142892
Energy: 0.40367030875673104
Energy: 0.4664645798218684
Energy: 0.46294864948318387
Energy: 0.4201879970150965
Energy: 0.48092963427159846
Energy: 0.43250822188971927
Energy: 0.4219973777304262
Energy: 0.4852142002085428
Energy: 0.438157851249951
Energy: 0.44981782513991275
Energy: 0.4662743567207859
Energy: 0.4665821007062315
Energy: 0.46422422501924804
Energy: 0.4663667883028202
Energy: 0.4550314234033814
Energy: 0.41839044488775273
Energy: 0.4808409155428282
Energy: 0.4330956021903673
Energy: 0.47810007926934367
Energy: 0.48702137893638564
Energy: 0.4321209832441156
Energy: 0.40154836859988047
Energy: 0.4668539395676506
Energy: 0.4961966708344245
Energy: 0.4162481431858805
Energy: 0.4664708936630691
Energy: 0.46952875492726587

minimum gb energy = 0.3892452910181698 eV
minimum distance =  2.65142195038715 Angstroms
sigma value = 17


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

Energy: 0.7720063552877207
Energy: 0.4966456545170788
Energy: 0.43014567841864915
Energy: 0.4065548045977254
Energy: 0.6362236836398669
Energy: 0.43100309384099367
Energy: 0.43666694120807836
Energy: 0.39456562968175934
Energy: 0.38916139353864565
Energy: 0.4821497295378777
Energy: 0.48892472796724296
Energy: 0.4289332476599973
Energy: 0.5648011860345917
Energy: 0.371330514006675
Energy: 0.39883684195457314
Energy: 0.4813852413999871
Energy: 0.37106696057449107
Energy: 0.4024659266307428
Energy: 0.47793817356062646
Energy: 0.42201337452428606
Energy: 0.42141065405893835
Energy: 0.47834351902477507
Energy: 0.37176770201959375
Energy: 0.43417480302893613
Energy: 0.4149135423737971
Energy: 0.39263826602634755
Energy: 0.3940393215941814
Energy: 0.41524706575409975
Energy: 0.4038697505821202
Energy: 0.39011503236569145
Energy: 0.41996890251235214
Energy: 0.3899601199318477
Energy: 0.36888468398002755
Energy: 0.37323103316719947
Energy: 0.40935010142085865
Energy: 0.36963525002147135
Energy: 0.3818225678092952
Energy: 0.41426163390511445
Energy: 0.4093558369361399
Energy: 0.3659618688981058
Energy: 0.41126191297807885
Energy: 0.3644274618780527
Energy: 0.39918695600152093
Energy: 0.3631326127168453
Energy: 0.36657003446771524
Energy: 0.36631529447935207
Energy: 0.3592627138743076
Energy: 0.36709600607304854
Energy: 0.3822822460830314
Energy: 0.3772230083192309
Energy: 0.37831553548775726
Energy: 0.3831729720572968
Energy: 0.3733277526993986
Energy: 0.38147694897957973
Energy: 0.3814700612462513
Energy: 0.3600684981692565
Energy: 0.3605477616402779
Energy: 0.38157581967667
Energy: 0.36054736404855564
Energy: 0.3601756588812748
Energy: 0.3922843078376565
Energy: 0.3597266461589993
Energy: 0.35951398986447614
Energy: 0.3604051433624759
Energy: 0.38173059508890056
Energy: 0.36006757846806625
Energy: 0.3834339083426118
Energy: 0.38782574054653185
Energy: 0.38162831674194714
Energy: 0.3834328725141385
Energy: 0.3850666635385178
Energy: 0.3783389126021779
Energy: 0.39337860700541255
Energy: 0.367202635726207
Energy: 0.3675350139288628
Energy: 0.3645012028091507
Energy: 0.3924506858612041
Energy: 0.3698919647275907
Energy: 0.4086591026631463
Energy: 0.36480244056394084
Energy: 0.3643113353482018
Energy: 0.4096410110071024
Energy: 0.36436943310013997
Energy: 0.4091744518584662
Energy: 0.40907352645323913
Energy: 0.3693217658616674
Energy: 0.36807890653043457
Energy: 0.40912320570118604
Energy: 0.36909102834962165
Energy: 0.38503630306607534
Energy: 0.4759833661408647
Energy: 0.41093117353186376
Energy: 0.3895358777336501
Energy: 0.4039470078704559
Energy: 0.41542782033814957
Energy: 0.39296255718489215
Energy: 0.38217307182083854
Energy: 0.4836077113553358
Energy: 0.45901130542385643
Energy: 0.3781287847387225
Energy: 0.4812079487647049
Energy: 0.3955324950914704
Energy: 0.3821607518491462
Energy: 0.4725378565393304
Energy: 0.4685647889579055
Energy: 0.37883908614669753
Energy: 0.48041245523896114
Energy: 0.40235974366146926
Energy: 0.4765481250782827
Energy: 0.46427973345310913
Energy: 0.42934409349386604
Energy: 0.4136913230281246
Energy: 0.39799970797245693
Energy: 0.38917828995201326
Energy: 0.5640340076257061
Energy: 0.405338812040845
Energy: 0.40537889669800786
Energy: 0.463462451631336
Energy: 0.4055002569208696
Energy: 0.4531822229595882
Energy: 0.4632538133891319
Energy: 0.4557084530513255
Energy: 0.4282099061431049
Energy: 0.47762105142332706
Energy: 0.4416118305992781
Energy: 0.3891271434139904
Energy: 0.3878925032073351
Energy: 0.4517466819146387
Energy: 0.48698417394496685
Energy: 0.37334717291587666
Energy: 0.4639024815821867
Energy: 0.42389796017486325
Energy: 0.39015236331173625
Energy: 0.47193865222661074
Energy: 0.3909430177493409
Energy: 0.38590195841935593
Energy: 0.4702656604778795
Energy: 0.45121679722359476
Energy: 0.5633267653442663
Energy: 0.4122888991287745
Energy: 0.39053338991066466
Energy: 0.47758026341067583
Energy: 0.3841639655077701
Energy: 0.46796260130872774
Energy: 0.48485949879514595
Energy: 0.3733114100538936
Energy: 0.39886348332554145
Energy: 0.4782174748426647
Energy: 0.3733256310132139
Energy: 0.40286339333657156
Energy: 0.4174774525680396
Energy: 0.4057722502007966
Energy: 0.3922246442641278
Energy: 0.4161474281858096
Energy: 0.4042443420295667
Energy: 0.40452391621447964
Energy: 0.37545907277768603
Energy: 0.39439110451651027
Energy: 0.395077298045413
Energy: 0.37103104877746423
Energy: 0.3933473230175933
Energy: 0.3794199828674058
Energy: 0.3797096162363802
Energy: 0.41335362641594553
Energy: 0.4082436624913403
Energy: 0.38022874903712683
Energy: 0.41065377026848704
Energy: 0.4082833694831947
Energy: 0.39538991868566215
Energy: 0.36562320939865145
Energy: 0.36576606524984884
Energy: 0.36489619844966675
Energy: 0.4096637730268776
Energy: 0.36592051404931675
Energy: 0.3882372315989137
Energy: 0.36019113792563046
Energy: 0.3648282706121358
Energy: 0.38750520375714326
Energy: 0.35860169638343425
Energy: 0.3671905822330202
Energy: 0.3849921508423425
Energy: 0.3592373175448241
Energy: 0.35861437403202107
Energy: 0.3859133683872815
Energy: 0.35881627374315894
Energy: 0.35829351463368025
Energy: 0.38916746408419567
Energy: 0.3592401470307148
Energy: 0.3596214613881033
Energy: 0.3589596416226895
Energy: 0.3583865739434989
Energy: 0.35960114105649993
Energy: 0.3869774048894117
Energy: 0.3858651197342745
Energy: 0.3811393951357864
Energy: 0.38767463473877084
Energy: 0.3826004341006427
Energy: 0.381520466048079
Energy: 0.37887949026106305
Energy: 0.3676827894173646
Energy: 0.3636946016009171
Energy: 0.3655099508434564
Energy: 0.3676429573233278
Energy: 0.3644466049590043
Energy: 0.41372813066261055
Energy: 0.3639393803391952
Energy: 0.3637929002670408
Energy: 0.4146423457310007
Energy: 0.36406103694098035
Energy: 0.3644252229315955
Energy: 0.41405726114317914
Energy: 0.3650202862567195
Energy: 0.389255689641574
Energy: 0.4147514999700258
Energy: 0.36494439445896326
Energy: 0.406141228437019
Energy: 0.5319937254043088
Energy: 0.38544336837699117
Energy: 0.3916825879991003
Energy: 0.4052783471355615
Energy: 0.4102200397226688
Energy: 0.390350044472181
Energy: 0.3858708269873172
Energy: 0.4048015542823729
Energy: 0.40400624327488566
Energy: 0.39855041927449075
Energy: 0.4773604151469474
Energy: 0.40465224324713445
Energy: 0.38187208328791716
Energy: 0.44590793311563875
Energy: 0.4037137075212864
Energy: 0.3854234610231031
Energy: 0.4497022979831413
Energy: 0.3996515510045519
Energy: 0.40925531803953424
Energy: 0.4540214098190526
Energy: 0.4705329786981526
Energy: 0.41603207464483705
Energy: 0.47884563261539975
Energy: 0.42755125763019175
Energy: 0.5352664770169094
Energy: 0.3905119240459348
Energy: 0.45003240188670124
Energy: 0.4793507837600823
Energy: 0.39182281198575697
Energy: 0.45447675017529476
Energy: 0.5621669566520884
Energy: 0.4359275364119972
Energy: 0.39054647000606235
Energy: 0.477952623593314
Energy: 0.4088913079574725
Energy: 0.46844193673874107
Energy: 0.3905745854871582
Energy: 0.471312873643
Energy: 0.46833178906474543
Energy: 0.38684791184564954
Energy: 0.46965319182807974
Energy: 0.43680532040294534

minimum gb energy = 0.35829351463368025 eV
minimum distance =  2.67796401701003 Angstroms
sigma value = 57


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

Energy: 0.3580544058501998
Energy: 0.4479497957874068
Energy: 0.4101096152383543
Energy: 0.3597477653688427
Energy: 0.5670850797695879
Energy: 0.4109363741348065
Energy: 0.4308909044441179
Energy: 0.3734859769067399
Energy: 0.3695910055049487
Energy: 0.4677619677819756
Energy: 0.3714934051534986
Energy: 0.3708032743947271
Energy: 0.5348078763521619
Energy: 0.3550414727187378
Energy: 0.35590059189712364
Energy: 0.4680614710144595
Energy: 0.3529042282447748
Energy: 0.38664683258565835
Energy: 0.4589045675296377
Energy: 0.35647990868297735
Energy: 0.40877409163698414
Energy: 0.3928722281551809
Energy: 0.35311784986437866
Energy: 0.411817866891576
Energy: 0.3960036561116452
Energy: 0.3732856501558051
Energy: 0.37516268685386356
Energy: 0.39644860290433165
Energy: 0.39045033190966927
Energy: 0.3713652821728937
Energy: 0.35061815365495363
Energy: 0.3699917384861546
Energy: 0.35199768564799877
Energy: 0.3420355387431406
Energy: 0.41097095796790006
Energy: 0.35311752961156345
Energy: 0.3791387584669352
Energy: 0.4052386905979324
Energy: 0.40821655377171095
Energy: 0.34542644813581086
Energy: 0.40301273748397853
Energy: 0.3449313089884337
Energy: 0.4848607073338235
Energy: 0.34287449932992503
Energy: 0.34261906841300643
Energy: 0.39460774192942644
Energy: 0.3353937283500659
Energy: 0.3517187884820887
Energy: 0.37025462155282346
Energy: 0.36286847841085146
Energy: 0.36089770347288164
Energy: 0.3708191262056531
Energy: 0.35511933776580445
Energy: 0.37722586464995306
Energy: 0.3770647336601654
Energy: 0.3346712048414563
Energy: 0.3358524637947547
Energy: 0.37739842102091736
Energy: 0.33533294906047006
Energy: 0.33396980026346723
Energy: 0.3572201291599257
Energy: 0.3638932510773742
Energy: 0.34074986142747443
Energy: 0.335582600280407
Energy: 0.3624720977555779
Energy: 0.3395754011116896
Energy: 0.370367474561443
Energy: 0.3593344926031766
Energy: 0.362441942718946
Energy: 0.3487944878575831
Energy: 0.3566300398484065
Energy: 0.3323342856021154
Energy: 0.3629915838906199
Energy: 0.36790725729604296
Energy: 0.3343005903031477
Energy: 0.3335146531920908
Energy: 0.3714312707736029
Energy: 0.3343067833445
Energy: 0.3544248397557615
Energy: 0.3323660312555196
Energy: 0.34501488951253434
Energy: 0.3554269809953752
Energy: 0.35291411939967754
Energy: 0.36285988568027033
Energy: 0.3661063499053899
Energy: 0.33486211120263476
Energy: 0.333855637937806
Energy: 0.3544695707836103
Energy: 0.33760992553317587
Energy: 0.3336524182377545
Energy: 0.3786256845743243
Energy: 0.37671568032674235
Energy: 0.33504019756549636
Energy: 0.335584390941135
Energy: 0.3750922234294755
Energy: 0.33480204083047355
Energy: 0.35489282321847954
Energy: 0.3751067815418591
Energy: 0.37719520017094765
Energy: 0.33828384823036195
Energy: 0.37278179259341326
Energy: 0.3501933292011686
Energy: 0.35552847325582054
Energy: 0.34994913275950995
Energy: 0.3497719880770232
Energy: 0.35621009783361
Energy: 0.3510296015489633
Energy: 0.35022185393712135
Energy: 0.40097007404960544
Energy: 0.34539619473635874
Energy: 0.3735705646347497
Energy: 0.40154040535619645
Energy: 0.35129736211858537
Energy: 0.4091885962718383
Energy: 0.456068841358138
Energy: 0.35293532265080696
Energy: 0.3532890285509552
Energy: 0.3905738706704595
Energy: 0.35043710205769507
Energy: 0.36961324320500244
Energy: 0.5062766918764963
Energy: 0.3922649880237093
Energy: 0.3919798313607071
Energy: 0.39035303004821686
Energy: 0.39176930431602713
Energy: 0.37360393387914403
Energy: 0.3537484170195488
Energy: 0.4401996702505454
Energy: 0.39006931575470905
Energy: 0.34481718183327975
Energy: 0.469411648056552
Energy: 0.37102802118152195
Energy: 0.37126776656554805
Energy: 0.42956914394811196
Energy: 0.4199509961738866
Energy: 0.3619064774661521
Energy: 0.46702276001948245
Energy: 0.42842796102584113
Energy: 0.5040026447727737
Energy: 0.39324204984122757
Energy: 0.3728251877183847
Energy: 0.391426231775293
Energy: 0.38953679991175716
Energy: 0.3712710730167628
Energy: 0.537614616679138
Energy: 0.3673287876430276
Energy: 0.3710379369746438
Energy: 0.4432787418646577
Energy: 0.36841710313052417
Energy: 0.42729678503562835
Energy: 0.501371081595031
Energy: 0.41739321762548315
Energy: 0.3702489175478815
Energy: 0.46460756717984936
Energy: 0.41603456917524667
Energy: 0.3915276624238609
Energy: 0.35703492294673167
Energy: 0.42253568350829784
Energy: 0.40874374243228284
Energy: 0.35439132437453014
Energy: 0.4213525707394316
Energy: 0.38293694667400674

minimum gb energy = 0.3323342856021154 eV
minimum distance =  2.69925824283194 Angstroms
sigma value = 43


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

Energy: 0.3083701313026432
Energy: 0.35434863973817693
Energy: 0.36246431038138666
Energy: 0.30440778894091836
Energy: 0.4070485027933594
Energy: 0.3413354334816336
Energy: 0.44279221752853676
Energy: 0.3115276242390496
Energy: 0.3077145091769679
Energy: 0.31087734796617056
Energy: 0.31658894572977414
Energy: 0.3082941850301167
Energy: 0.4594522657897998
Energy: 0.294781131602387
Energy: 0.3061387092664938
Energy: 0.3391427676178934
Energy: 0.29520585457270304
Energy: 0.30552970698638826
Energy: 0.4027734534103968
Energy: 0.3052836269327801
Energy: 0.307556110842874
Energy: 0.3412030840745762
Energy: 0.3402373914159095
Energy: 0.3522753050046496
Energy: 0.35607438668444147
Energy: 0.3110245762873199
Energy: 0.31125886549952747
Energy: 0.3458177656190321
Energy: 0.31162859208409366
Energy: 0.30725341971634856
Energy: 0.2977996720050039
Energy: 0.311013048843469
Energy: 0.29859753942770967
Energy: 0.2978011932525035
Energy: 0.35675738255354705
Energy: 0.30706735086530523
Energy: 0.4236773168991203
Energy: 0.3570845218856406
Energy: 0.33939725776742546
Energy: 0.2917946241175343
Energy: 0.35986861966941364
Energy: 0.2901511926859994
Energy: 0.419996443834912
Energy: 0.2813159174996911
Energy: 0.2863173710698668
Energy: 0.2911806177151958
Energy: 0.2821847365161761
Energy: 0.2861205288122328
Energy: 0.3294171404062746
Energy: 0.285573371901948
Energy: 0.3121853591829134
Energy: 0.33034254046117983
Energy: 0.294316978176245
Energy: 0.32817126638752825
Energy: 0.32926362861793546
Energy: 0.28116418281767125
Energy: 0.28113544505444327
Energy: 0.32901684577226065
Energy: 0.28080306005113953
Energy: 0.2807085821089324
Energy: 0.2948918125556042
Energy: 0.3112524244443993
Energy: 0.27956748828134353
Energy: 0.29007561306943985
Energy: 0.31131346155090867
Energy: 0.27714265712331226
Energy: 0.3307673625372208
Energy: 0.31134578669374147
Energy: 0.3114373522355783
Energy: 0.2770677748591308
Energy: 0.31533318688560485
Energy: 0.2767661125973599
Energy: 0.3300059067355162
Energy: 0.2998404035785496
Energy: 0.30390620300762705
Energy: 0.3040632639248545
Energy: 0.2997187328315777
Energy: 0.30490034310411984
Energy: 0.300885600050718
Energy: 0.2749098271297532
Energy: 0.30099954065584783
Energy: 0.30177468071779345
Energy: 0.2978975732427221
Energy: 0.30119372256004695
Energy: 0.3012149793511526
Energy: 0.2735414029938635
Energy: 0.27312279107498744
Energy: 0.30091547102814353
Energy: 0.27351999298476776
Energy: 0.2729153003697514
Energy: 0.29785452727596823
Energy: 0.2966902566901428
Energy: 0.27223104469057724
Energy: 0.2858834952426711
Energy: 0.296373521900419
Energy: 0.273354348035934
Energy: 0.30245129000372234
Energy: 0.2964508478394428
Energy: 0.2967934699839648
Energy: 0.28604896636586025
Energy: 0.2962207648673373
Energy: 0.27426605395875553
Energy: 0.2975228006805028
Energy: 0.27317283260174363
Energy: 0.27335471701019287
Energy: 0.2967873891946284
Energy: 0.29790263174753506
Energy: 0.27374150001105707
Energy: 0.2962240070619456
Energy: 0.2892530966396306
Energy: 0.29667423451690733
Energy: 0.2970068841646963
Energy: 0.32424484589001057
Energy: 0.29637967476794047
Energy: 0.2968865035869361
Energy: 0.3022769620071349
Energy: 0.27569977598524853
Energy: 0.3023457243622736
Energy: 0.2981333202249428
Energy: 0.27629515217650374
Energy: 0.3127421516612149
Energy: 0.3011166477500019
Energy: 0.3015248630266439
Energy: 0.2716393862044975
Energy: 0.300930970243507
Energy: 0.27654259599173325
Energy: 0.2970150589440168
Energy: 0.3013154150001628
Energy: 0.2753430878166951
Energy: 0.27593772459018606
Energy: 0.3009721299385874
Energy: 0.27351166174044544
Energy: 0.3118815232450914
Energy: 0.2757558752799711
Energy: 0.2754735930645062
Energy: 0.31122858026395195
Energy: 0.27593248607690596
Energy: 0.27493033505314407
Energy: 0.31091384938792116
Energy: 0.27857452887056144
Energy: 0.31102864111556855
Energy: 0.3118117380753561
Energy: 0.2922892302241777
Energy: 0.3111706049692487
Energy: 0.4090814229931012
Energy: 0.29047381471601796
Energy: 0.295831233764289
Energy: 0.3138009981855279
Energy: 0.29057529396915116
Energy: 0.3136979751505459
Energy: 0.37821480513917316
Energy: 0.3284567531166406
Energy: 0.3288409114945061
Energy: 0.28022715171050866
Energy: 0.3326896054373471
Energy: 0.2798017015955384
Energy: 0.29643933475209727
Energy: 0.328427515977244
Energy: 0.28934118749908905
Energy: 0.2785189316093534
Energy: 0.32870466954176975
Energy: 0.2835100263774327
Energy: 0.32705606348739275
Energy: 0.2921315792654097
Energy: 0.29135992357963
Energy: 0.3376601049100628
Energy: 0.29221375049712245
Energy: 0.29044534512306097
Energy: 0.3580752288250614
Energy: 0.2952620800631026
Energy: 0.34151982023901706
Energy: 0.3589542386757274
Energy: 0.2832456854741616
Energy: 0.33411603263280254
Energy: 0.4358947415362266
Energy: 0.28802498290163686
Energy: 0.2964083570247922
Energy: 0.3102661339653777
Energy: 0.28868535407962825
Energy: 0.2965536568545882
Energy: 0.4356625014573685
Energy: 0.34002411388507303
Energy: 0.3134210975844553
Energy: 0.31589708636305824
Energy: 0.3399144716516036
Energy: 0.3110149567683976
Energy: 0.30234927401449524
Energy: 0.35402426535269516
Energy: 0.32626987757684583
Energy: 0.29349216835841496
Energy: 0.37951183056595833
Energy: 0.30935728262520434
Energy: 0.36759705580932667
Energy: 0.3409551894764589
Energy: 0.3375161667223521
Energy: 0.3433009172197637
Energy: 0.3400143755869928
Energy: 0.31548764047197786
Energy: 0.4362200726574884
Energy: 0.3195727714193815
Energy: 0.32442882374980847
Energy: 0.34125513264787277
Energy: 0.3395358995824227
Energy: 0.3692142549199735
Energy: 0.4601915759565156
Energy: 0.30637054575307093
Energy: 0.3207153332608572
Energy: 0.36524757077925596
Energy: 0.3058940978363137
Energy: 0.3469619411374589
Energy: 0.4275954571033643
Energy: 0.3404740830243784
Energy: 0.3415850804014119
Energy: 0.3133066294193941
Energy: 0.33968715691479834
Energy: 0.308906993378915

minimum gb energy = 0.2716393862044975 eV
minimum distance =  2.72034911358224 Angstroms
sigma value = 81


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

Energy: 0.014526888972784762
Energy: 0.03438941643071331
Energy: 0.015177568586368463
Energy: 0.016149769245648753
Energy: 0.01775925645175447
Energy: 0.015134897064196658
Energy: 0.0345851417020805
Energy: 0.015101861622145074
Energy: 0.015382997579884266
Energy: 0.03480352237445872
Energy: 0.01733099445143096
Energy: 0.015395407980854781
Energy: 0.033726357152689325
Energy: 0.01496223606512701
Energy: 0.015028252667366028
Energy: 0.03370174625744376
Energy: 0.014952758855459738
Energy: 0.03421424762578086
Energy: 0.017235060686528643
Energy: 0.015317777883475162
Energy: 0.015090388826063566
Energy: 0.018196712125674832
Energy: 0.015020708070259714
Energy: 0.03434019655176363
Energy: 0.03398618691439907
Energy: 0.033681941043664954
Energy: 0.033811144493917346
Energy: 0.034468599941848976
Energy: 0.03367196594997285
Energy: 0.03384776553082791
Energy: 0.015343230662945915
Energy: 0.015384840119290652
Energy: 0.015207705967652816
Energy: 0.016356307816389363
Energy: 0.01541164022138733
Energy: 0.015028782663695218
Energy: 0.03462697711018607
Energy: 0.015373417398563946
Energy: 0.01532737321612569
Energy: 0.03359965558485231
Energy: 0.015216852018194258
Energy: 0.015418028504178373
Energy: 0.03500353717831525
Energy: 0.015000700394398863
Energy: 0.015246464371331498
Energy: 0.03365372910538188
Energy: 0.01487863450418441
Energy: 0.0348761469645793
Energy: 0.015658103759538144
Energy: 0.015246040155595995
Energy: 0.0354289318711741
Energy: 0.01655908996361298
Energy: 0.015215755746141915
Energy: 0.035025579937399354
Energy: 0.0153202749968287
Energy: 0.03362795171450491
Energy: 0.03381779295509928
Energy: 0.015399240503734467
Energy: 0.033621115167853266
Energy: 0.034073125574834724

minimum gb energy = 0.014526888972784762 eV
minimum distance =  2.85760088155475 Angstroms
sigma value = 3


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

Energy: 0.34743083643009864
Energy: 0.36081473428680977
Energy: 0.34638174893163814
Energy: 0.2871326742610393
Energy: 0.3424334168457384
Energy: 0.3209670566414259
Energy: 0.3534501753823435
Energy: 0.3425143420181505
Energy: 0.3580023226687578
Energy: 0.3458111356456238
Energy: 0.3449523456931132
Energy: 0.36454884110803987
Energy: 0.35264768430298143
Energy: 0.32929768758356576
Energy: 0.32951447879126144
Energy: 0.34054649926683017
Energy: 0.2980493229487199
Energy: 0.361999530261759
Energy: 0.3364956100729329
Energy: 0.32966610738443364
Energy: 0.329751448099786
Energy: 0.3367362551449192
Energy: 0.296641276676862
Energy: 0.34428438762726676
Energy: 0.30440948920261596
Energy: 0.34727108904808324
Energy: 0.3438950622065908
Energy: 0.30436255651534627
Energy: 0.34468580133594623
Energy: 0.364607128188419
Energy: 0.3333217349488508
Energy: 0.3478842921975973
Energy: 0.3362972274843161
Energy: 0.2836009118912264
Energy: 0.3486258007953809
Energy: 0.31909078627984444
Energy: 0.3355479372944464
Energy: 0.314267480867796
Energy: 0.3403842737163136
Energy: 0.33549798138174036
Energy: 0.3153184694193731
Energy: 0.34295407693575036
Energy: 0.33291346585957277
Energy: 0.2883327010313717
Energy: 0.32624508686577375
Energy: 0.33281301957540604
Energy: 0.27270768059329786
Energy: 0.3142388687180319
Energy: 0.35327492926819576
Energy: 0.32731449656749156
Energy: 0.33784863314348634
Energy: 0.3416925996163958
Energy: 0.28557962340754534
Energy: 0.33918233428786315
Energy: 0.29193289897692803
Energy: 0.3107101658381503
Energy: 0.310305786672128
Energy: 0.3186620137983003
Energy: 0.31441950924630124
Energy: 0.3200226873125446
Energy: 0.27271922540962984
Energy: 0.33049626069733634
Energy: 0.33155856938409933
Energy: 0.2757319669527405
Energy: 0.27542887219444706
Energy: 0.3156141953893736
Energy: 0.29516782337823094
Energy: 0.3359853726557439
Energy: 0.3368718407212388
Energy: 0.2938933314618378
Energy: 0.28620509506422803
Energy: 0.2895899787601515
Energy: 0.2909084464521801
Energy: 0.26674093169688756
Energy: 0.31975313548056894
Energy: 0.2909805823943542
Energy: 0.2691576099535111
Energy: 0.292394510346225
Energy: 0.3308657051498109
Energy: 0.3008545695153757
Energy: 0.32248734843427596
Energy: 0.2923647431716987
Energy: 0.276287155223993
Energy: 0.3220633425570965
Energy: 0.3317337025474526
Energy: 0.27570292245277755
Energy: 0.27534981778379014
Energy: 0.33132266519594483
Energy: 0.27968495281713196
Energy: 0.27534745941737315
Energy: 0.27038366125332547
Energy: 0.31437510881214165
Energy: 0.3137108836651146
Energy: 0.27134199958281474
Energy: 0.32842177033164366
Energy: 0.31383103891243963
Energy: 0.2731842357548103
Energy: 0.3141953799596925
Energy: 0.3118204922677886
Energy: 0.27166306417720837
Energy: 0.27818566813446555
Energy: 0.2674829018585562
Energy: 0.2681665290291287
Energy: 0.3113757716518173
Energy: 0.31073282240708056
Energy: 0.2682564929152997
Energy: 0.27160682933751407
Energy: 0.30948620958677414
Energy: 0.33666022011556274
Energy: 0.29217457573987365
Energy: 0.308941488718355
Energy: 0.2713503531052467
Energy: 0.26813397759504
Energy: 0.30927450272245705
Energy: 0.32985392950781245
Energy: 0.2684869115958037
Energy: 0.2675908437274221
Energy: 0.32980733768392145
Energy: 0.27237581263363275
Energy: 0.2677093771306982
Energy: 0.32908898371786505
Energy: 0.31388372033731887
Energy: 0.3139397663831019
Energy: 0.3283775030602016
Energy: 0.31331241854343117
Energy: 0.3128494587542336
Energy: 0.2788197835824407
Energy: 0.3111353607620484
Energy: 0.29631660427815126
Energy: 0.27871375546165617
Energy: 0.3116139669945428
Energy: 0.2754007080703071
Energy: 0.27552894928828775
Energy: 0.3219522038229951
Energy: 0.32277490261991826
Energy: 0.27553372300626244
Energy: 0.29387989964428773
Energy: 0.3196235550798886
Energy: 0.27421898205049466
Energy: 0.29077241659266556
Energy: 0.29077940198190144
Energy: 0.2695732744092788
Energy: 0.2902168833629588
Energy: 0.3129271726869992
Energy: 0.30658896235234373
Energy: 0.2901420580239493
Energy: 0.2897792627463498
Energy: 0.2774891995143778
Energy: 0.2949992225255559
Energy: 0.2899761169657828
Energy: 0.27584853271910237
Energy: 0.28087192741644723
Energy: 0.3227443476679036
Energy: 0.27589255670500845
Energy: 0.2928667568851396
Energy: 0.3316513138087657
Energy: 0.3132107978387284
Energy: 0.322459523667121
Energy: 0.32546597727592236
Energy: 0.31328117948249107
Energy: 0.2829599766854122
Energy: 0.32037397984239574
Energy: 0.2967022839678476
Energy: 0.3036048036492001
Energy: 0.3053169357587041
Energy: 0.2966510618340446
Energy: 0.3045895027710413
Energy: 0.3069437773356696
Energy: 0.33696225405424357
Energy: 0.33342889578867724
Energy: 0.32900400679697583
Energy: 0.2788115134943034
Energy: 0.33363667769744504
Energy: 0.31795037318666786
Energy: 0.31607383964598074
Energy: 0.3446779239040302
Energy: 0.343089280800815
Energy: 0.31610022540423194
Energy: 0.33802730937116215
Energy: 0.3378873547132334
Energy: 0.3377473097641622
Energy: 0.2930316497529836
Energy: 0.3289795233707371
Energy: 0.33737088393616194
Energy: 0.2747953880495709
Energy: 0.32923554701498314
Energy: 0.35327788442673136
Energy: 0.3309107510423764
Energy: 0.3516888734890277
Energy: 0.3619576165964814
Energy: 0.29166961287630677
Energy: 0.36398147596794034
Energy: 0.31107170534205036
Energy: 0.3330281869485502
Energy: 0.3365628391394055
Energy: 0.31101045167882446
Energy: 0.33724941407749764
Energy: 0.3268714525008537

minimum gb energy = 0.26674093169688756 eV
minimum distance =  2.6622604247948 Angstroms
sigma value = 67


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

Energy: 0.42256157801231387
Energy: 0.42150101758011993
Energy: 0.41960107659920143
Energy: 0.3557671592016566
Energy: 0.42473884741696627
Energy: 0.4188948385591965
Energy: 0.41842070925801444
Energy: 0.4273975260120757
Energy: 0.4254759798975817
Energy: 0.41960636865957324
Energy: 0.4261937555339586
Energy: 0.4201435213714693
Energy: 0.4298129138989172
Energy: 0.36890539282409207
Energy: 0.4138466921441482
Energy: 0.4185949535253011
Energy: 0.3672248781077226
Energy: 0.4127756833027657
Energy: 0.40231930110452213
Energy: 0.40088454420641306
Energy: 0.4077739185531526
Energy: 0.402836894259097
Energy: 0.40292027467991165
Energy: 0.41705572462879503
Energy: 0.39453376910457827
Energy: 0.4342254822470522
Energy: 0.4377799732856431
Energy: 0.39476162923338376
Energy: 0.4274838702725725
Energy: 0.41807134201821516
Energy: 0.40520288753768635
Energy: 0.3891191489940765
Energy: 0.40550595363671577
Energy: 0.370405302936367
Energy: 0.3893485323730234
Energy: 0.40437369740152784
Energy: 0.4053971081490481
Energy: 0.371507605000967
Energy: 0.4126451223515958
Energy: 0.4061375053680642
Energy: 0.3716289571787641
Energy: 0.3725102227060174
Energy: 0.4023851696327964
Energy: 0.35376277152235064
Energy: 0.40131048335264263
Energy: 0.4016710974657293
Energy: 0.3521309940824738
Energy: 0.400896172132109
Energy: 0.4171889312358356
Energy: 0.3722994254269622
Energy: 0.3717220257804293
Energy: 0.3724684275519071
Energy: 0.3689183738105817
Energy: 0.41895170187590874
Energy: 0.3879953091549351
Energy: 0.3735309702257498
Energy: 0.3748114104914381
Energy: 0.3881187367629501
Energy: 0.37106519586578046
Energy: 0.36910553917239747
Energy: 0.35149168036725426
Energy: 0.40199977322663716
Energy: 0.40259038124248203
Energy: 0.3538926389819202
Energy: 0.41170172470297167
Energy: 0.40336994873014387
Energy: 0.356221795486316
Energy: 0.3741500538472529
Energy: 0.39994165943739635
Energy: 0.3569212338714868
Energy: 0.3712604155170954
Energy: 0.35256160343419823
Energy: 0.35860064640889244
Energy: 0.35635505202991946
Energy: 0.3958670281519745
Energy: 0.3591034292895247
Energy: 0.3537825799682779
Energy: 0.3525236311308275
Energy: 0.416549668922116
Energy: 0.37912858615855294
Energy: 0.3962114466993403
Energy: 0.3529447531905088
Energy: 0.385193375013041
Energy: 0.3952879233111152
Energy: 0.40960476919847627
Energy: 0.35579539473322047
Energy: 0.35753882472562754
Energy: 0.41040909432293954
Energy: 0.3533166381135075
Energy: 0.3530594486491296
Energy: 0.4089328493328196
Energy: 0.40470180580782683
Energy: 0.4022427385996128
Energy: 0.3708313096046528
Energy: 0.38554796839934347
Energy: 0.3999753856507517
Energy: 0.37488597870425583
Energy: 0.350448485625896
Energy: 0.39399122133660397
Energy: 0.3750999963855483
Energy: 0.3483344742560682
Energy: 0.3703575478362433
Energy: 0.37575697359607907
Energy: 0.3732767477934551
Energy: 0.42101063772285846
Energy: 0.3763898118676794
Energy: 0.37188848882943526
Energy: 0.3696920487145505
Energy: 0.4050939182445246
Energy: 0.3582428904134968
Energy: 0.4083753443835588
Energy: 0.3590124636369883
Energy: 0.357957681586056
Energy: 0.4096676782591986
Energy: 0.37312739869907
Energy: 0.40712003326096213
Energy: 0.4111650292500547
Energy: 0.3740252914312188
Energy: 0.4018156949583298
Energy: 0.4043658943427993
Energy: 0.4071182970299261
Energy: 0.38526942426311184
Energy: 0.42177738403857296
Energy: 0.40666575303217306
Energy: 0.3978850504448962
Energy: 0.4219734020383197
Energy: 0.42914257421235597
Energy: 0.3577678664116271
Energy: 0.4212323328864989
Energy: 0.4190438278608613
Energy: 0.3556761713698058
Energy: 0.42129431924863076
Energy: 0.4179296682494472
Energy: 0.40536861557916937
Energy: 0.4103530613331371
Energy: 0.4179108042573299
Energy: 0.4030380859210371
Energy: 0.41300451676886196

minimum gb energy = 0.3483344742560682 eV
minimum distance =  2.65543804766279 Angstroms
sigma value = 33


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

Energy: 0.7259463296746872
Energy: 0.4937239718474133
Energy: 0.49501867171327857
Energy: 0.4227968131713301
Energy: 0.4553602929291575
Energy: 0.4755220451119563
Energy: 0.46205588997343305
Energy: 0.4433207135794672
Energy: 0.4471921161353208
Energy: 0.44144571698410856
Energy: 0.4877760916660485
Energy: 0.44808954050999117
Energy: 0.4978337495618743
Energy: 0.4446414887803661
Energy: 0.4464207669173563
Energy: 0.44838943507253715
Energy: 0.43965294439637853
Energy: 0.4719926227000419
Energy: 0.44253434252454593
Energy: 0.44470876919937713
Energy: 0.4554560561732583
Energy: 0.44306936523331214
Energy: 0.4491658008217889
Energy: 0.47155201265585045
Energy: 0.4417803621384536
Energy: 0.4097306891405704
Energy: 0.4896018448200447
Energy: 0.4415352155403603
Energy: 0.4461244605674967
Energy: 0.4470877766579146
Energy: 0.40538116298830695
Energy: 0.40796835360998573
Energy: 0.4089475958137739
Energy: 0.40881567555487097
Energy: 0.40776216134880267
Energy: 0.4056119442526125
Energy: 0.4413736572588474
Energy: 0.4482331856350465
Energy: 0.450202641704099
Energy: 0.4419544023771439
Energy: 0.40891831480104285
Energy: 0.44682892197459245
Energy: 0.44313528854159584
Energy: 0.41321879068064404
Energy: 0.4082854718506388
Energy: 0.44310150678145327
Energy: 0.4103358347304962
Energy: 0.44693393332834735
Energy: 0.437200752057964
Energy: 0.41057909181257735
Energy: 0.44311490858918184
Energy: 0.4127506813385812
Energy: 0.40850324366460494
Energy: 0.4612244534251053
Energy: 0.4369260129072755
Energy: 0.4119469412585196
Energy: 0.4083612947010096
Energy: 0.435846557346267
Energy: 0.4091892957259968
Energy: 0.4078953812727264
Energy: 0.43504789939019833
Energy: 0.40942447068547155
Energy: 0.40890748532677557
Energy: 0.4094642914005201
Energy: 0.4369375833114142
Energy: 0.40786268693427064
Energy: 0.41442715368062016
Energy: 0.4078538298914662
Energy: 0.4081043086045453
Energy: 0.40785255772087503
Energy: 0.4194997030085891
Energy: 0.40827459993367876
Energy: 0.41273454571798107
Energy: 0.4485266497687262
Energy: 0.42792231530343877
Energy: 0.4136216293732462
Energy: 0.41237086837811904
Energy: 0.40801828290090403
Energy: 0.39663660023774644
Energy: 0.41172513330099514
Energy: 0.4488514278392798
Energy: 0.3987380280003738
Energy: 0.436792221055553
Energy: 0.3964146768421894
Energy: 0.3983028223518427
Energy: 0.44853399740493155
Energy: 0.44971366504509525
Energy: 0.3977709962279056
Energy: 0.44393149780463487
Energy: 0.43068438880440485
Energy: 0.413683516294874
Energy: 0.4162855653104874
Energy: 0.45094269843372425
Energy: 0.41318353209844616
Energy: 0.4160735885747163
Energy: 0.4497557794437885
Energy: 0.4950399116298549
Energy: 0.42151817699176936
Energy: 0.41579717906440516
Energy: 0.4495479852894894
Energy: 0.4185998586497471
Energy: 0.4632501712988955
Energy: 0.5193337126247697
Energy: 0.44622649445521784
Energy: 0.4493010226487508
Energy: 0.48937191178320616
Energy: 0.4443582356108655
Energy: 0.479017395228685
Energy: 0.4645785066403739
Energy: 0.44660797650181716
Energy: 0.4175401641742613
Energy: 0.4180386956265051
Energy: 0.4468664744756379
Energy: 0.44916614776141944
Energy: 0.4618245086088028
Energy: 0.44536492407080475
Energy: 0.41253131103982094
Energy: 0.462778379568079
Energy: 0.44628489193864335
Energy: 0.44720768719032555
Energy: 0.4960167865135753
Energy: 0.4080656260277385
Energy: 0.4261206863470361
Energy: 0.44704177560232733
Energy: 0.4500949740114745
Energy: 0.4431136905332828
Energy: 0.442288558729224
Energy: 0.44388407815752845
Energy: 0.44636824651328655
Energy: 0.44257989562690986
Energy: 0.4429611589734446
Energy: 0.471907745909474
Energy: 0.4418754417296601
Energy: 0.41239429856306065
Energy: 0.4473791758661982
Energy: 0.4419804831224575
Energy: 0.445748621764638
Energy: 0.4481674084268757
Energy: 0.40631544583349655
Energy: 0.40835972051681496
Energy: 0.40819096941046284
Energy: 0.4108405646172513
Energy: 0.40781825233918934
Energy: 0.44589809761998006
Energy: 0.44124125185948865
Energy: 0.44796243679727105
Energy: 0.4495604369667484
Energy: 0.44173062235791233
Energy: 0.44668723309113795
Energy: 0.4466164417223683
Energy: 0.445476553394347
Energy: 0.41260239638401314
Energy: 0.40836179980550885
Energy: 0.4458812285093611
Energy: 0.40973773862385454
Energy: 0.4465408121258314
Energy: 0.43727153317073586
Energy: 0.4080802715691769
Energy: 0.40850103529461157
Energy: 0.41312491628269554
Energy: 0.4188257386708653
Energy: 0.46185303031528935
Energy: 0.437407199214744
Energy: 0.41226280543564375
Energy: 0.40862563576652505
Energy: 0.4129729891618913
Energy: 0.40932628093915574
Energy: 0.4077538101526065
Energy: 0.44294724466661384
Energy: 0.43714032984572004
Energy: 0.4106114478300716
Energy: 0.41054828842185653
Energy: 0.4088509588832277
Energy: 0.40779123928417177
Energy: 0.4074588580502337
Energy: 0.40781644101064835
Energy: 0.4079273644611241
Energy: 0.4075180000698369
Energy: 0.41654820583489016
Energy: 0.40803633150427704
Energy: 0.4107344506716723
Energy: 0.448461948196811
Energy: 0.40805471100215623
Energy: 0.4114925617000509
Energy: 0.41260086502498067
Energy: 0.407925218729447
Energy: 0.39788742944804606
Energy: 0.4485140387167495
Energy: 0.4642133850524398
Energy: 0.39814797364238497
Energy: 0.43723899445827785
Energy: 0.3963784649625205
Energy: 0.39816571987025945
Energy: 0.4490128054989766
Energy: 0.449723202343306
Energy: 0.39881193770078005
Energy: 0.44459180888730726
Energy: 0.4283853169353251
Energy: 0.4134665519131271
Energy: 0.4534684204832967
Energy: 0.4466787265489181
Energy: 0.412838223658837
Energy: 0.4158009381555576
Energy: 0.45076300663402696
Energy: 0.5198673070570062
Energy: 0.41647519828115315
Energy: 0.41582958705792744
Energy: 0.44776561060419046
Energy: 0.39836478194201447
Energy: 0.4520851762102272
Energy: 0.5170506158486616
Energy: 0.4424020208016123
Energy: 0.4126557790800082
Energy: 0.44444967698903404
Energy: 0.4457061519006395
Energy: 0.47776735044529506
Energy: 0.44358210597048003
Energy: 0.447432729227842
Energy: 0.41827369943769016
Energy: 0.4168268804949035
Energy: 0.44819434871874875
Energy: 0.4133280344537474

minimum gb energy = 0.3963784649625205 eV
minimum distance =  2.65473321086489 Angstroms
sigma value = 41


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

Energy: 0.6815461986013047
Energy: 0.5371575968380415
Energy: 0.5377313925388523
Energy: 0.47442317336629186
Energy: 0.540643305940697
Energy: 0.4763947612349091
Energy: 0.51608503135491
Energy: 0.5031341949723892
Energy: 0.4842362175842511
Energy: 0.5005274923629511
Energy: 0.501936425380449
Energy: 0.48363541572180346
Energy: 0.5760080794519723
Energy: 0.4735856747782401
Energy: 0.47207193191518615
Energy: 0.5002059326892605
Energy: 0.4962017095284786
Energy: 0.4717161586425903
Energy: 0.5036780796474145
Energy: 0.47372827938623724
Energy: 0.47223168639885976
Energy: 0.5038348229632095
Energy: 0.47519085855734144
Energy: 0.4919415239319833
Energy: 0.49212890208094456
Energy: 0.4850884196481285
Energy: 0.47409463495107657
Energy: 0.4919852858427343
Energy: 0.5033176536085727
Energy: 0.4736915190381889
Energy: 0.5104923449963122
Energy: 0.5098353586934585
Energy: 0.4737062878333006
Energy: 0.47463263492299257
Energy: 0.5217691439354499
Energy: 0.4735841647301052
Energy: 0.4915420062672554
Energy: 0.48457478707625257
Energy: 0.47471313500698764
Energy: 0.49168672724725687
Energy: 0.5053007752991717
Energy: 0.4750595037770469
Energy: 0.49333711980276085
Energy: 0.4743369613331479
Energy: 0.47384511419446523
Energy: 0.49416202904763856
Energy: 0.4753625477832473
Energy: 0.47621057122862415
Energy: 0.5381688206399761
Energy: 0.4743246164286517
Energy: 0.47371096851948974
Energy: 0.4648318661032317
Energy: 0.48463029667555413
Energy: 0.4734575351416265
Energy: 0.5096234963200562
Energy: 0.495468668544654
Energy: 0.47482391095948945
Energy: 0.47635855430924484
Energy: 0.4919158308679211
Energy: 0.47294056858080635
Energy: 0.5044078103981813
Energy: 0.4824260992960551
Energy: 0.4752710394029462
Energy: 0.4757967399133606
Energy: 0.4643176653003722
Energy: 0.4752088886828735
Energy: 0.5650068516196213
Energy: 0.46397924905364285
Energy: 0.46385489835930604
Energy: 0.5653100208772472
Energy: 0.46904984728519794
Energy: 0.5000274592223384
Energy: 0.5786627100706843
Energy: 0.49639177927077105
Energy: 0.4819895514280373
Energy: 0.5006793224124598
Energy: 0.4919747423697655
Energy: 0.48284730031938816
Energy: 0.46635139304996376
Energy: 0.5002991881211186
Energy: 0.46984642788934844
Energy: 0.466125392634593
Energy: 0.49984974613921973
Energy: 0.46434138895569166

minimum gb energy = 0.46385489835930604 eV
minimum distance =  2.66591890152673 Angstroms
sigma value = 11


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

Energy: 0.540431277291826
Energy: 0.6443216079277507
Energy: 0.602693245568718
Energy: 0.5709086935152093
Energy: 0.5684276322922484
Energy: 0.5625400008476068
Energy: 0.625685220716039
Energy: 0.5468396097318081
Energy: 0.5530203642924323
Energy: 0.570117108292123
Energy: 0.5475857671059484
Energy: 0.5688963868575421
Energy: 0.6148133019525645
Energy: 0.53886884435596
Energy: 0.5502523633044643
Energy: 0.5619480543269606
Energy: 0.5388584572569921
Energy: 0.5574049760255827
Energy: 0.5710924731054029
Energy: 0.5388253483381346
Energy: 0.5394130644790498
Energy: 0.5519881820254353
Energy: 0.5407207035459277
Energy: 0.5653986765850008
Energy: 0.560823220648924
Energy: 0.547558815917453
Energy: 0.5567749661574735
Energy: 0.5650455767983079
Energy: 0.5469613006211992
Energy: 0.5673003389465658
Energy: 0.5653088405617467
Energy: 0.5552498388105209
Energy: 0.5584309998370516
Energy: 0.5486812605018019
Energy: 0.5627499264712258
Energy: 0.5596944479734863
Energy: 0.5607930368314687
Energy: 0.5572619831775855
Energy: 0.5574888528643452
Energy: 0.5594621198049752
Energy: 0.5536748995136519
Energy: 0.5616887356630694
Energy: 0.5594673338180537
Energy: 0.5556665774197039
Energy: 0.5679701829947185
Energy: 0.5471025522048453
Energy: 0.5653430914845672
Energy: 0.5673352582524582
Energy: 0.5483677651133204
Energy: 0.5655124380946257
Energy: 0.5656112595656329
Energy: 0.5385170298667212
Energy: 0.5611929469682703
Energy: 0.5413415814457311
Energy: 0.5472033408274631
Energy: 0.56523703935775
Energy: 0.5659272752021561
Energy: 0.5510145054536318
Energy: 0.5615201789966059
Energy: 0.5414850294012726
Energy: 0.5597592606615591
Energy: 0.5520383838642747
Energy: 0.5681324611766267
Energy: 0.5471303682462725
Energy: 0.5577570458911549
Energy: 0.5575182263836698
Energy: 0.5499275339823022
Energy: 0.5624597293342192
Energy: 0.5630256598216484
Energy: 0.5502882286291062
Energy: 0.5493409450451051
Energy: 0.5628030186661132
Energy: 0.5467516781254025
Energy: 0.5649003566633377
Energy: 0.5640232144329851
Energy: 0.546919661542415
Energy: 0.5603561543124814
Energy: 0.5605972729169041
Energy: 0.556597403917558
Energy: 0.5626352748486202
Energy: 0.5652600017197253
Energy: 0.5398171583697905
Energy: 0.5818364664822631
Energy: 0.5576877068099692
Energy: 0.5390577616251832
Energy: 0.5644845365451872
Energy: 0.5637746476601039
Energy: 0.5395428230755787
Energy: 0.5612098525526232
Energy: 0.5627887706280531
Energy: 0.5394666682566476
Energy: 0.5647695916296431
Energy: 0.5639340353451981
Energy: 0.5404343963501246
Energy: 0.5635036758655424
Energy: 0.5394849272716566
Energy: 0.5388945459277893
Energy: 0.5574507231197865
Energy: 0.5647685427865078
Energy: 0.5390845253692572
Energy: 0.558001168500233
Energy: 0.5580136594750539
Energy: 0.5857798473495163
Energy: 0.5863163899767715
Energy: 0.5810682560134025
Energy: 0.5662674002297448
Energy: 0.5853147418627024
Energy: 0.5628339022535953
Energy: 0.5505622147507634
Energy: 0.5571723948550875
Energy: 0.5647873193107855
Energy: 0.5507234787004577
Energy: 0.5545906202594263
Energy: 0.563988977680488
Energy: 0.5720347499014995
Energy: 0.5400199805788939
Energy: 0.5401572290962768
Energy: 0.5598286058067488
Energy: 0.540105178138039
Energy: 0.5656676052352416
Energy: 0.6013618537309715
Energy: 0.5396792799605645
Energy: 0.5593703285911995
Energy: 0.5591354583921397
Energy: 0.5486928480776154
Energy: 0.5655217604142683
Energy: 0.5537727498283032
Energy: 0.561927531331303
Energy: 0.5645392310400003
Energy: 0.5701148085429848
Energy: 0.5584172446211949
Energy: 0.5639557508383334
Energy: 0.5441978627970641
Energy: 0.5573821485903989
Energy: 0.5561983074037345
Energy: 0.5383431941296145
Energy: 0.5572930246037113
Energy: 0.5635224486879912
Energy: 0.6025149698667656
Energy: 0.5632432194888981
Energy: 0.5565558955980076
Energy: 0.5534334984788599
Energy: 0.55806584290416
Energy: 0.564696639911369
Energy: 0.6040519537854013
Energy: 0.5617372695497502
Energy: 0.5575129224363744
Energy: 0.585320911513428
Energy: 0.5608206599684442
Energy: 0.559553208656831
Energy: 0.5913723467033969
Energy: 0.5548223173280652
Energy: 0.5396483013972185
Energy: 0.5546699503062482
Energy: 0.5399177139286268
Energy: 0.5637626326183386
Energy: 0.6042800557884905
Energy: 0.5391542305654553
Energy: 0.5392095393013476
Energy: 0.560522932263758
Energy: 0.5410470132518881
Energy: 0.5633093623577561
Energy: 0.5905376229150008
Energy: 0.5399105063937888
Energy: 0.5618246430348025
Energy: 0.5606472185025129
Energy: 0.5501239079386812
Energy: 0.5634184951093185
Energy: 0.5899950747543418
Energy: 0.5546408748740213
Energy: 0.5531718535738746
Energy: 0.5732169679317575
Energy: 0.5655721886412874
Energy: 0.5581037766869527
Energy: 0.6518202058300502
Energy: 0.5470208601074065
Energy: 0.5599817979279865
Energy: 0.557457954242514
Energy: 0.5467409249620471
Energy: 0.5633721317102403
Energy: 0.5411992125504136
Energy: 0.552620402730966
Energy: 0.5630361875226042
Energy: 0.540172751752209
Energy: 0.5511540057234509
Energy: 0.5667066372597417

minimum gb energy = 0.5383431941296145 eV
minimum distance =  2.65790203659606 Angstroms
sigma value = 57


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

Energy: 0.7813457956351888
Energy: 0.5254691136542625
Energy: 0.5249994072447562
Energy: 0.5652861892733377
Energy: 0.8436002560869105
Energy: 0.5252079870904045
Energy: 0.5252754710226306
Energy: 0.5397670988739031
Energy: 0.537470444183344
Energy: 0.5391436369422252
Energy: 0.5411544488073838
Energy: 0.5369864781717415
Energy: 0.5573331908278021
Energy: 0.5355813223359227
Energy: 0.5359916094188805
Energy: 0.5998281846307001
Energy: 0.549491590875642
Energy: 0.5384441749136182
Energy: 0.549804040757588
Energy: 0.5390011565199331
Energy: 0.5370908900774622
Energy: 0.5496210260154484
Energy: 0.5482074876315363
Energy: 0.5372109230401972
Energy: 0.5490141348052883
Energy: 0.5392448355786783
Energy: 0.5380289309291616
Energy: 0.5388588331739982
Energy: 0.5403665975313118
Energy: 0.5368685153036882
Energy: 0.5502202853492427
Energy: 0.5582720313962466
Energy: 0.5376545555766685
Energy: 0.5395522395453346
Energy: 0.538893608181542
Energy: 0.537668391990506
Energy: 0.5525152829024805
Energy: 0.5675080405034576
Energy: 0.5252020201817679
Energy: 0.553587614655562
Energy: 0.5688827826699009
Energy: 0.5571901180557205
Energy: 0.6038079999024187
Energy: 0.5395952536714047
Energy: 0.5374963529764047
Energy: 0.5410079295051037
Energy: 0.5382477971433834
Energy: 0.5371186090700472
Energy: 0.5245492531186607
Energy: 0.539701679606551
Energy: 0.5258623307439357
Energy: 0.5278327791639755
Energy: 0.5497564875205297
Energy: 0.5255223588944757
Energy: 0.5528630603339403
Energy: 0.5394547949091847
Energy: 0.5258943459067096
Energy: 0.527401308497254
Energy: 0.5489574779911266
Energy: 0.5255112576216483
Energy: 0.603544040198187
Energy: 0.5491825879067129
Energy: 0.5383423768132561
Energy: 0.5387650221096142
Energy: 0.5378561343521714
Energy: 0.5373036959361029
Energy: 0.5506358118201516
Energy: 0.5351813356933823
Energy: 0.5492173812636976
Energy: 0.5501024362576076
Energy: 0.5395588504581116
Energy: 0.5384685756172601
Energy: 0.5531828617189943
Energy: 0.5381105226509468
Energy: 0.5381669207288361
Energy: 0.5400838517709885
Energy: 0.5392090624013375
Energy: 0.5367577843044726
Energy: 0.5500071255083666
Energy: 0.6005823882919455
Energy: 0.5496561663886648
Energy: 0.5389948912981503
Energy: 0.5528026138825342
Energy: 0.5381448596821725
Energy: 0.5608900205391313
Energy: 0.5252084017464833
Energy: 0.5372865706875493
Energy: 0.5589608082140567
Energy: 0.5665439505554651
Energy: 0.536935496184148
Energy: 0.5981647944456915
Energy: 0.5251406814806792
Energy: 0.5247417064630255
Energy: 0.5498181505386324
Energy: 0.567162275918138
Energy: 0.537836314274152
Energy: 0.5253320660151877
Energy: 0.5396848805029161
Energy: 0.5378476353985945
Energy: 0.5246386477639833
Energy: 0.5419777216534121
Energy: 0.5376359699129581

minimum gb energy = 0.5245492531186607 eV
minimum distance =  2.67141845597569 Angstroms
sigma value = 9


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

Energy: 0.9701576547914618
Energy: 0.6256188051302135
Energy: 0.6473151972976741
Energy: 0.6063722157215921
Energy: 0.6027551446676914
Energy: 0.6466144023775756
Energy: 0.6521068773701469
Energy: 0.5982174707008642
Energy: 0.5853925977467879
Energy: 0.5831104454838913
Energy: 0.5980449049475184
Energy: 0.587680059803368
Energy: 0.6068717985798435
Energy: 0.5901644633111331
Energy: 0.5925548565475678
Energy: 0.6073230912211766
Energy: 0.5830080379273858
Energy: 0.5906658739109367
Energy: 0.5917671305826739
Energy: 0.5935301269399981
Energy: 0.588400825278593
Energy: 0.5930205274520931
Energy: 0.5834119518854364
Energy: 0.5927829025122259
Energy: 0.5830736412819162
Energy: 0.5725035939146524
Energy: 0.5734506889562786
Energy: 0.5697048697829261
Energy: 0.579913237663747
Energy: 0.5700910039671748
Energy: 0.5843014172765475
Energy: 0.5835271212877201
Energy: 0.5817784990535602
Energy: 0.5899755861861228
Energy: 0.5853232858276856
Energy: 0.5815580035433567
Energy: 0.589080433358874
Energy: 0.5816915828473923
Energy: 0.5973005526153571
Energy: 0.5895300449607586
Energy: 0.5843228110934747
Energy: 0.6116812449467932
Energy: 0.5994528283321015
Energy: 0.5838684664991806
Energy: 0.5843865247331904
Energy: 0.5924777354677071
Energy: 0.5820104025889032
Energy: 0.5848765325696604
Energy: 0.6115552740151711
Energy: 0.573270737253498
Energy: 0.575217517997811
Energy: 0.6025881753179576
Energy: 0.5810197455952723
Energy: 0.5905646400164657
Energy: 0.598977678397176
Energy: 0.573646797779094
Energy: 0.5753360710201755
Energy: 0.6023679207940186
Energy: 0.5806438965182044
Energy: 0.5698275849141342
Energy: 0.6001400841334821
Energy: 0.5798643261416732
Energy: 0.5877347006311628
Energy: 0.5827452762098154
Energy: 0.5817856575508507
Energy: 0.5773942813890777
Energy: 0.6053442517597178
Energy: 0.5885671993702598
Energy: 0.5890638548931655
Energy: 0.5959915769115071
Energy: 0.5841898711787223
Energy: 0.5870709127913063
Energy: 0.6158513397966452
Energy: 0.5840359113338971
Energy: 0.5854930156421212
Energy: 0.5853416039966078
Energy: 0.583248089194654
Energy: 0.5805452453904536
Energy: 0.5955031096969483
Energy: 0.5888178290408449
Energy: 0.5912667658204735
Energy: 0.5936210726677335
Energy: 0.5861868852287945
Energy: 0.5925338020948457
Energy: 0.5997357869576186
Energy: 0.5791468860660368
Energy: 0.5894675180749663
Energy: 0.5907791766505613
Energy: 0.5791898142440226
Energy: 0.5721732941648585
Energy: 0.5900885932555298
Energy: 0.5936866330130348
Energy: 0.5809833609594443
Energy: 0.590630023552
Energy: 0.59932127283005
Energy: 0.5803688928984841
Energy: 0.6025753657625542
Energy: 0.5897932132582464
Energy: 0.5928763645593497
Energy: 0.6029779199001257
Energy: 0.5924730134892956
Energy: 0.5918159702220225
Energy: 0.6726472439514324
Energy: 0.5846584395180788
Energy: 0.5731719027518104
Energy: 0.5746733869995498
Energy: 0.5933771416300138
Energy: 0.587736787567259
Energy: 0.5974271603436856
Energy: 0.5944769857843809
Energy: 0.5898363845180468
Energy: 0.596565023838802
Energy: 0.5830025476791463
Energy: 0.5873033669426866
Energy: 0.5909100597851243
Energy: 0.59453569470452
Energy: 0.5909491350356438
Energy: 0.5699346878946632
Energy: 0.595351324225778
Energy: 0.5871559097516534
Energy: 0.5931756992713
Energy: 0.5980542315876202
Energy: 0.5850976386111658
Energy: 0.5814202636602105
Energy: 0.5968736891076525
Energy: 0.5893343626936656

minimum gb energy = 0.5697048697829261 eV
minimum distance =  2.62904605280037 Angstroms
sigma value = 27


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

Energy: 0.5639304002309977
Energy: 0.5442350615316229
Energy: 0.5411643828685685
Energy: 0.5626578309029951
Energy: 0.8571702400944681
Energy: 0.5421388018345414
Energy: 0.5432149986571116
Energy: 0.5499551371751125
Energy: 0.5635430130059491
Energy: 0.552470876585967
Energy: 0.549449456193915
Energy: 0.5646094309416689
Energy: 0.5636528553937938
Energy: 0.5516496896058282
Energy: 0.5504019077199814
Energy: 0.5632112606528065
Energy: 0.5488598499219114
Energy: 0.5504493277081413
Energy: 0.5498570508887801
Energy: 0.5462869385287852
Energy: 0.5455891004251269
Energy: 0.5501229220529167
Energy: 0.5525225299072288
Energy: 0.5463375313727742
Energy: 0.5801191853915882
Energy: 0.5471807100760763
Energy: 0.5470162931800355
Energy: 0.5802214334325559
Energy: 0.5488675161068881
Energy: 0.5484512885068475
Energy: 0.5607641569466596
Energy: 0.5521365448626805
Energy: 0.55214486000908
Energy: 0.552764596343344
Energy: 0.5518069823029136
Energy: 0.5517236196055602
Energy: 0.5498542910489627
Energy: 0.5449256641632149
Energy: 0.5431086180426953
Energy: 0.550529142111951
Energy: 0.5469216945099927
Energy: 0.542227200323103
Energy: 0.5526398106951356
Energy: 0.5598889307027304
Energy: 0.5464179100010311
Energy: 0.5497554287731595
Energy: 0.561407430429278
Energy: 0.5458620652651152
Energy: 0.6327367752033191
Energy: 0.55153177559783
Energy: 0.5499770273464955
Energy: 0.5455246006080954
Energy: 0.5520149914157796
Energy: 0.5499783154975553
Energy: 0.6361465765419239
Energy: 0.551017296907708
Energy: 0.550675574039305
Energy: 0.5460792673410542
Energy: 0.5495406814064857
Energy: 0.5482222650067912
Energy: 0.5524234127117618
Energy: 0.5462119058852403
Energy: 0.5526483208255915
Energy: 0.549859762306748
Energy: 0.5523967634936254
Energy: 0.5508537559868631
Energy: 0.5509747147033326
Energy: 0.5546693793515579
Energy: 0.550836560366171
Energy: 0.5503035859716323
Energy: 0.5518006687863709
Energy: 0.5512578313938059
Energy: 0.5675862114121091
Energy: 0.5499210357030725
Energy: 0.544740076537883
Energy: 0.5667482951415465
Energy: 0.5485935548166535
Energy: 0.544693896468807
Energy: 0.5659069544102956
Energy: 0.5508998269693364
Energy: 0.5509587761105518
Energy: 0.5418852222960123
Energy: 0.5499706304888391
Energy: 0.5412390705952432
Energy: 0.5539947440197515
Energy: 0.5457780290281553
Energy: 0.5492161090356898
Energy: 0.5498946415396254
Energy: 0.5460539192883995
Energy: 0.551758285560375
Energy: 0.5601697274705957
Energy: 0.5509241516697937
Energy: 0.5498344195941743
Energy: 0.5534092300001755
Energy: 0.5519522025495293
Energy: 0.5496494256074257
Energy: 0.5808404986869345
Energy: 0.5556650906379944
Energy: 0.5460672413616616
Energy: 0.5774452219655309
Energy: 0.5498314837139786
Energy: 0.557371205036807
Energy: 0.5635037344245339
Energy: 0.5528582480809299
Energy: 0.5523149854537236
Energy: 0.5531275129336868
Energy: 0.551584018375687
Energy: 0.554718386665189
Energy: 0.546681262004924
Energy: 0.5409384814697128
Energy: 0.541008573749303
Energy: 0.5472399557040285
Energy: 0.5409583665148443
Energy: 0.5409273076923122
Energy: 0.5523707534436135
Energy: 0.5410006843862551
Energy: 0.5408698258006185
Energy: 0.5532267695925895
Energy: 0.5411498605079609
Energy: 0.5409787876084571
Energy: 0.6084271843263396
Energy: 0.5531900632339745
Energy: 0.5539538352839264
Energy: 0.5525006596035886
Energy: 0.5523395664659918
Energy: 0.5456871170915217
Energy: 0.5665441337281287
Energy: 0.5521293679511445
Energy: 0.5513167457151373
Energy: 0.5752908951128417
Energy: 0.5525390026363254
Energy: 0.5509936472792251
Energy: 0.5511807290345169
Energy: 0.5510657107759933
Energy: 0.5502328990681196
Energy: 0.548603764983675
Energy: 0.551665826965552
Energy: 0.5508806934946404
Energy: 0.5518136622821308
Energy: 0.5551901227499487
Energy: 0.5508126394670839
Energy: 0.5493955467349602
Energy: 0.5463870734884583
Energy: 0.5487104133982315
Energy: 0.5658551419063353
Energy: 0.5509165069016962
Energy: 0.5497949083549419
Energy: 0.5418490656822287
Energy: 0.5493960442733731
Energy: 0.5412281616851842

minimum gb energy = 0.5408698258006185 eV
minimum distance =  2.64977918577275 Angstroms
sigma value = 19


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

Energy: 0.5985239054286979
Energy: 0.546452654366656
Energy: 0.5522716062261741
Energy: 0.5671615240358405
Energy: 0.5515543890906747
Energy: 0.5529310758819775
Energy: 0.5740233451596986
Energy: 0.5639419906642981
Energy: 0.560009141498678
Energy: 0.5801028537619193
Energy: 0.5666206769428634
Energy: 0.5602585969038895
Energy: 0.5778398778565144
Energy: 0.559453938824512
Energy: 0.5612106444477558
Energy: 0.5700839669707954
Energy: 0.5595064136727238
Energy: 0.5604143984090437
Energy: 0.5765326766387892
Energy: 0.5664212992431374
Energy: 0.5666410103788901
Energy: 0.5626499816276443
Energy: 0.5668544933252445
Energy: 0.5668710278416547
Energy: 0.5819930682669774
Energy: 0.5629311128188222
Energy: 0.561586614333986
Energy: 0.5644328177239941
Energy: 0.5757030323235348
Energy: 0.5610006486285647
Energy: 0.5844451813084733
Energy: 0.5794840795682418
Energy: 0.5799012687802317
Energy: 0.5769789339051496
Energy: 0.5674168616350562
Energy: 0.5796041667695294
Energy: 0.5783090349659213
Energy: 0.5628993878802224
Energy: 0.5616509606506835
Energy: 0.5749336485004966
Energy: 0.5656478735689172
Energy: 0.5601295542077701
Energy: 0.5764288784519964
Energy: 0.5650983037316188
Energy: 0.55888336077542
Energy: 0.5624394096176656
Energy: 0.5662163362821555
Energy: 0.5640852188702216
Energy: 0.5757436619406172
Energy: 0.5593899286059618
Energy: 0.5637390758207408
Energy: 0.5708435710440534
Energy: 0.561642733531401
Energy: 0.5641870859259378
Energy: 0.5814245969417321
Energy: 0.5659582083571957
Energy: 0.5653671989271931
Energy: 0.5722507311639694
Energy: 0.5672071558291186
Energy: 0.5656766311738628
Energy: 0.5779278013894817
Energy: 0.553903129854941
Energy: 0.5531060749357098
Energy: 0.575197561072922
Energy: 0.5557308282309836
Energy: 0.5538073836717257
Energy: 0.5727603692356378
Energy: 0.5647525566310598
Energy: 0.5522994101488128
Energy: 0.5527361370716513
Energy: 0.5587206809266927
Energy: 0.5526947700287331
Energy: 0.5901708380173983
Energy: 0.5588857522913673
Energy: 0.5613837548845417
Energy: 0.5595695139064973
Energy: 0.5596811452498736
Energy: 0.5625927540585514
Energy: 0.6017622410799481
Energy: 0.5710872413421119
Energy: 0.5702219171056895
Energy: 0.5514432298162281
Energy: 0.5719899490170461
Energy: 0.5647240818433027
Energy: 0.5726078298851184
Energy: 0.5530431757182329
Energy: 0.5574451983938667
Energy: 0.5579423376352504
Energy: 0.5527731523295101
Energy: 0.5570435336761866
Energy: 0.5824053332424398
Energy: 0.5522361850894099
Energy: 0.5524253410373056
Energy: 0.5585619506365025
Energy: 0.5571500791023404
Energy: 0.5525273157348749
Energy: 0.5756967272199083
Energy: 0.56323570271694
Energy: 0.5655071397187224
Energy: 0.5529151216941709
Energy: 0.5661314108934775
Energy: 0.5665368202978732
Energy: 0.588529021373317
Energy: 0.5518728628808277
Energy: 0.551901384584751
Energy: 0.5542805066206905
Energy: 0.5499567842363653
Energy: 0.5520076167728243
Energy: 0.5834830895974034
Energy: 0.566890769021102
Energy: 0.5669162209746584
Energy: 0.5719241059992295
Energy: 0.5586652723626434
Energy: 0.5569321340155197
Energy: 0.5690739985208554
Energy: 0.5540553853838279
Energy: 0.5538851321976782
Energy: 0.5540510368352158
Energy: 0.5542512076479291
Energy: 0.558642537243092
Energy: 0.561878100980194
Energy: 0.5519698246261635
Energy: 0.5529495709509826
Energy: 0.5600971781058932
Energy: 0.5494883121379501
Energy: 0.554524671561792
Energy: 0.5594229008050353
Energy: 0.5521634436736831
Energy: 0.5519714895587036
Energy: 0.5613922695735944
Energy: 0.5508046937360163
Energy: 0.5523857868160867
Energy: 0.5749703780282237
Energy: 0.5730411057064284
Energy: 0.5746142030558253
Energy: 0.5718884289588928
Energy: 0.5711159391150039
Energy: 0.5585104571161165
Energy: 0.5884895508761155
Energy: 0.552139516930518
Energy: 0.5560465997162477
Energy: 0.5790393026830855
Energy: 0.5492706958131491
Energy: 0.5582455633770538
Energy: 0.5862282824815183
Energy: 0.5504323525908048
Energy: 0.5539649143690345
Energy: 0.5618874393120731
Energy: 0.5465903349979654
Energy: 0.5543964826928411
Energy: 0.5813577327866946
Energy: 0.5598152968582524
Energy: 0.5598931282214576
Energy: 0.5596276467219128
Energy: 0.5626626501086284
Energy: 0.5590425134750692
Energy: 0.5775834367803883
Energy: 0.5597294694250954
Energy: 0.5636406370657915
Energy: 0.5686063066885751
Energy: 0.5593749301614179
Energy: 0.5632951351382268
Energy: 0.5779368481833485
Energy: 0.5599137696428196
Energy: 0.5596416463814685
Energy: 0.5594790910688204
Energy: 0.5605186474929212
Energy: 0.5595313052276392
Energy: 0.5866588979198819
Energy: 0.5813382789884187
Energy: 0.5900458643028659
Energy: 0.5517014564657527
Energy: 0.584988108172722
Energy: 0.5609713837286273

minimum gb energy = 0.546452654366656 eV
minimum distance =  2.63580413312414 Angstroms
sigma value = 101


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

Energy: 0.8449858652469094
Energy: 0.5491288806850028
Energy: 0.5485569450619386
Energy: 0.5351408389695397
Energy: 0.5461723896939149
Energy: 0.5305780438365001
Energy: 0.5951938351197401
Energy: 0.5432237456564701
Energy: 0.5446561520524511
Energy: 0.5518120463050643
Energy: 0.5444669073244327
Energy: 0.5441097018035169
Energy: 0.5706566746840978
Energy: 0.5390782244711037
Energy: 0.5419865457953768
Energy: 0.5417972753639778
Energy: 0.5404316487433182
Energy: 0.5426064701358579
Energy: 0.5624656035283525
Energy: 0.543737407465653
Energy: 0.5437643151128725
Energy: 0.5476467614616
Energy: 0.5432315550231392
Energy: 0.5437163956303116
Energy: 0.5532970684427284
Energy: 0.5416935061526312
Energy: 0.5438026073753197
Energy: 0.5482927704915684
Energy: 0.5604347678741461
Energy: 0.546926944229584
Energy: 0.5511381862144664
Energy: 0.5456316058274276
Energy: 0.5430344552089016
Energy: 0.5565840189017193
Energy: 0.5468321321931545
Energy: 0.5459009479306427
Energy: 0.5614184193273645
Energy: 0.5374926677946686
Energy: 0.5392251490984351
Energy: 0.5572514317981534
Energy: 0.5383851719388476
Energy: 0.5422038299212116
Energy: 0.5619936061116191
Energy: 0.5415237628726183
Energy: 0.5418005343095984
Energy: 0.5549898811442949
Energy: 0.5479421968833647
Energy: 0.55659234485184
Energy: 0.5430922391269607
Energy: 0.543949052680275
Energy: 0.5408678997769439
Energy: 0.5409389355612919
Energy: 0.5396082848267311
Energy: 0.5391065247264659
Energy: 0.55107455574432
Energy: 0.5519332735162521
Energy: 0.5505408093100713
Energy: 0.5443575930453871
Energy: 0.5422704560703722
Energy: 0.5505497751631167
Energy: 0.5685858058972866
Energy: 0.5312885308892906
Energy: 0.5387765173441388
Energy: 0.5588230957963245
Energy: 0.5315919476749803
Energy: 0.5357406420451638
Energy: 0.568627702994955
Energy: 0.5397007483613013
Energy: 0.5468216580273259
Energy: 0.5514514938892308
Energy: 0.5414072400469194
Energy: 0.5472959972109173
Energy: 0.5532146526663065
Energy: 0.5392356542044634
Energy: 0.5442220082232406
Energy: 0.5396991167271398
Energy: 0.53937005103113
Energy: 0.541970946620426
Energy: 0.5580622450034823
Energy: 0.5465323291785238
Energy: 0.5451616384211977
Energy: 0.5410550397823685
Energy: 0.5433323514796651
Energy: 0.5432145216934863
Energy: 0.5682222746930277
Energy: 0.5402533618385115
Energy: 0.5400066856274776
Energy: 0.5426471149896139
Energy: 0.540521813352233
Energy: 0.5409905495598825
Energy: 0.567865267366682
Energy: 0.5433466486701216
Energy: 0.5447510717382387
Energy: 0.5448986030791552
Energy: 0.544787514574101
Energy: 0.5446079387580481
Energy: 0.549242386407315
Energy: 0.5657729525495618
Energy: 0.5474049352295618
Energy: 0.5299709456633767
Energy: 0.5519517378784545
Energy: 0.5313821175343865
Energy: 0.5939697238907973
Energy: 0.545761817503437
Energy: 0.5442023488861424
Energy: 0.5482447488299881
Energy: 0.5477218359078385
Energy: 0.5464606300064585
Energy: 0.5680405076048299
Energy: 0.5415962667090716
Energy: 0.5415393285953769
Energy: 0.5394834155685031
Energy: 0.5435086960254423
Energy: 0.5426494182763709
Energy: 0.5614221299420731
Energy: 0.5428216113200984
Energy: 0.5426105447074198
Energy: 0.5491219984852196
Energy: 0.5425435094404363
Energy: 0.5431210289936931
Energy: 0.5548551883787392
Energy: 0.5398275772784351
Energy: 0.5425249520879997
Energy: 0.5487141362076718
Energy: 0.5461373836917535
Energy: 0.5444076583133002
Energy: 0.5521872926254788
Energy: 0.5445653982797656
Energy: 0.5437762987399968
Energy: 0.5446557931850673
Energy: 0.5423311670626727
Energy: 0.5428453294299599
Energy: 0.5570366918048326
Energy: 0.5404256002057581
Energy: 0.5411721829747757
Energy: 0.5522278096462816
Energy: 0.540391800164998
Energy: 0.54304893526274
Energy: 0.5681519101477207
Energy: 0.5409444880428371
Energy: 0.5415237646264911
Energy: 0.5514572110321649
Energy: 0.5426443274705891
Energy: 0.5471918883483329
Energy: 0.549281359129436
Energy: 0.5451859705592541
Energy: 0.5439197947019344
Energy: 0.5416517988644662
Energy: 0.5399019979066494
Energy: 0.5428229821884839
Energy: 0.5437173231086585
Energy: 0.5477490201536128
Energy: 0.5456165643024963
Energy: 0.5407293519961415
Energy: 0.5416375755133918
Energy: 0.5445976574024303
Energy: 0.5660086332258789
Energy: 0.5318100784909159
Energy: 0.5320472804548662
Energy: 0.5494773952707729
Energy: 0.5324395757688778
Energy: 0.5330161396109292
Energy: 0.5683484252422594
Energy: 0.5307567211012995
Energy: 0.5372268664773242
Energy: 0.5436332373465435
Energy: 0.5315029478360627
Energy: 0.5444229939571921
Energy: 0.5569909563651765
Energy: 0.5436539859958862
Energy: 0.5438517886638287
Energy: 0.5386224171042605
Energy: 0.5433862968403501
Energy: 0.5427708195218061
Energy: 0.5547899675815281
Energy: 0.5460246008922671
Energy: 0.5445016323878131
Energy: 0.5393012966569459
Energy: 0.5483587523418076
Energy: 0.543558293411
Energy: 0.5684017752636287
Energy: 0.5432026998930977
Energy: 0.542713802883862
Energy: 0.5427878767001304
Energy: 0.5400750485635172
Energy: 0.543258038281194
Energy: 0.5685841788213661
Energy: 0.5458577811429407
Energy: 0.5447400589437973
Energy: 0.5394498702931707
Energy: 0.541437189704349
Energy: 0.5448440477787343
Energy: 0.5518688160449042
Energy: 0.5461217903950198
Energy: 0.5324736774724231
Energy: 0.5285424943273386
Energy: 0.5399598202177253
Energy: 0.5314412892164478

minimum gb energy = 0.5285424943273386 eV
minimum distance =  2.62405149364814 Angstroms
sigma value = 33


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

Energy: 0.013463677217910133
Energy: 0.014828016120368449
Energy: 0.014017042350427463
Energy: 0.01488916615585864
Energy: 0.5548144175895513
Energy: 0.014039208437582154
Energy: 0.014093204904984584
Energy: 0.07088122432068168
Energy: 0.0696727457997696
Energy: 0.07191118240307912
Energy: 0.07086076416022369
Energy: 0.06956811906015765
Energy: 0.7482172230135576
Energy: 0.5536270949582145
Energy: 0.5528310287593022
Energy: 0.5541856328459258
Energy: 0.5553928711610396
Energy: 0.5526103693065036
Energy: 0.014093204905313409
Energy: 0.07088122432033352
Energy: 0.06967274579671347
Energy: 0.07191118240205396
Energy: 0.07086076415444025
Energy: 0.06956811906015765

minimum gb energy = 0.013463677217910133 eV
minimum distance =  2.84949954013557 Angstroms
sigma value = 1