Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_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=4.153699994087219
cohesive_energy=3.033309598728601
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.71113339743384e-20, 1.13971635947907e-19, 1.55646653463198e-19, 1.9318885635108597e-19, 2.2723671200021997e-19, 2.5822441027841396e-19, 2.86475590865736e-19, 3.12236988963822e-19, 3.3571047882855603e-19, 3.5705948247660597e-19, 3.7642178709849595e-19, 3.9391435158850797e-19, 4.09639715251218e-19, 4.2368759997813e-19, 4.3613651242431e-19, 4.4705855053828795e-19, 4.565161992087899e-19, 4.6456553461800595e-19, 4.71259428594858e-19, 4.76647548615e-19, 4.80771551270916e-19, 4.836714909784559e-19, 4.8538742215347e-19, 4.85951388328638e-19, 4.853361525011819e-19, 4.83323818648878e-19, 4.7963080150750795e-19, 4.739158374540299e-19, 4.657639627402379e-19, 4.54667287373154e-19, 4.4000576899542e-19, 4.2101837370588596e-19, 3.96758215113858e-19, 3.66050897746614e-19, 3.2741761257097196e-19, 2.78991823808322e-19, 2.1839429915717397e-19, 1.425602349343494e-19, 4.75099845986556e-20, -7.19910833485122e-20, -2.2291083508841996e-19, -4.1464651723246803e-19, -6.60085557971562e-19, -9.772171965522539e-19, -1.3916233872896218e-18, -1.94058838263348e-18, -2.6798326815610795e-18, -3.6953723410219795e-18, -4.4311559384201394e-18, -6.738738900837659e-18, -1.06572784252095e-17, -1.7790569343936e-17, -3.20589135756864e-17, -6.47106325059528e-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: 0.008861549050744336
Energy: 0.009261265124618657
Energy: 0.00917195118256522
Energy: 0.008976344282300288
Energy: 0.22828124312839312
Energy: 0.009126969123681064
Energy: 0.00926126512438112
Energy: 0.06497901527232029
Energy: 0.06499217170469694
Energy: 0.06490136313327158
Energy: 0.06492329040031439
Energy: 0.06503347473266496
Energy: 0.00917195118256522
Energy: 0.06499217170401071
Energy: 0.06503744553407681
Energy: 0.009169025596916474
Energy: 0.06487623788748736
Energy: 0.06506467238110088
Energy: 0.008976344282300288
Energy: 0.06490136313117331
Energy: 0.009169025596916474
Energy: 0.00901434124684747
Energy: 0.06490091917205235
Energy: 0.009167884869155101
Energy: 0.22828124312793122
Energy: 0.06492329039961497
Energy: 0.06487623789119562
Energy: 0.06490091917205235
Energy: 0.06488849761006335
Energy: 0.064855280747903
Energy: 0.009126969123681064
Energy: 0.06503347473314004
Energy: 0.06506467238156277
Energy: 0.009167884869155101
Energy: 0.06485528074721678
Energy: 0.00934052475808595

minimum gb energy = 0.008861549050744336 eV
minimum distance =  2.93054330307069 Angstroms
sigma value = 1


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

Energy: 0.7140961289189315
Energy: 0.4918611014120492
Energy: 0.5143736781006306
Energy: 0.4689054368201959
Energy: 0.7090512090680178
Energy: 0.5139500547288369
Energy: 0.6888412584040289
Energy: 0.5039816215836479
Energy: 0.4768085871144205
Energy: 0.48632358224467215
Energy: 0.5042672458821544
Energy: 0.4972573430166856
Energy: 0.5919287410919244
Energy: 0.5056722801394369
Energy: 0.4914572095747927
Energy: 0.4818907147548552
Energy: 0.5036193183660556
Energy: 0.4904932042360308
Energy: 0.7196486049329329
Energy: 0.4655806394843164
Energy: 0.4857877684550888
Energy: 0.49661459442523964
Energy: 0.4652011067243712
Energy: 0.48831691578813713
Energy: 0.661257345970468
Energy: 0.49780080525354986
Energy: 0.4969081501932372
Energy: 0.42101620527652744
Energy: 0.4843826004628718
Energy: 0.49201402017154083
Energy: 0.6518011085987185
Energy: 0.4947989011755331
Energy: 0.4943390318994332
Energy: 0.48196565982853684
Energy: 0.49314300790566323
Energy: 0.49477993472015525
Energy: 0.65236722753211
Energy: 0.4555950734390196
Energy: 0.45484034669770873
Energy: 0.4917996004370259
Energy: 0.4606132750701278
Energy: 0.48417267083610444
Energy: 0.6233727475432798
Energy: 0.4881692380368703
Energy: 0.4898270372046595
Energy: 0.46094278506751907
Energy: 0.4882939906020941
Energy: 0.4562395183028818
Energy: 0.542380389325716
Energy: 0.4824935218713255
Energy: 0.4828729190803503
Energy: 0.4929336573142991
Energy: 0.4893991920394601
Energy: 0.4930797435867726
Energy: 0.540044977819342
Energy: 0.49070902366372865
Energy: 0.48986211923694317
Energy: 0.47853747035050787
Energy: 0.48243600371526296
Energy: 0.4906308006646845
Energy: 0.5736223520060694
Energy: 0.489471285958446
Energy: 0.4913853352774706
Energy: 0.5135157055544567
Energy: 0.49148371909606076
Energy: 0.5206400587196097
Energy: 0.505310612136345
Energy: 0.4837255171349239
Energy: 0.4786125568319446
Energy: 0.5040443629742655
Energy: 0.4737133606695088
Energy: 0.4904777100047722
Energy: 0.5042071829701349
Energy: 0.48373236507973094
Energy: 0.4879067050170361
Energy: 0.5044434510027311
Energy: 0.4396702762174643
Energy: 0.4760170655776153
Energy: 0.5315966951085473
Energy: 0.49871434607536297
Energy: 0.49035077084099166
Energy: 0.4910982883995574
Energy: 0.492084467928631
Energy: 0.4686243560493128
Energy: 0.5175030318795453
Energy: 0.4747898935049317
Energy: 0.490081923581529
Energy: 0.4929463749993091
Energy: 0.48977341108082206
Energy: 0.4901836699030077
Energy: 0.5161996728768461
Energy: 0.4410256900661781
Energy: 0.4764259283901541
Energy: 0.5039593184482357
Energy: 0.49081875229834965
Energy: 0.5034006569901891
Energy: 0.5948746673476905
Energy: 0.49052923216995914
Energy: 0.4908979037334823
Energy: 0.49039058061759727
Energy: 0.4806248329865657
Energy: 0.4880638037853669
Energy: 0.5922428313858046
Energy: 0.42062448950140235
Energy: 0.45381609823378183
Energy: 0.49029988912464934
Energy: 0.4582162424206954
Energy: 0.49068871347654536
Energy: 0.5927887135707459
Energy: 0.49196052677086627
Energy: 0.489630305590309
Energy: 0.48966372191836943
Energy: 0.49004748698485157
Energy: 0.48934314540418244
Energy: 0.5930499670094496
Energy: 0.4919713685552757
Energy: 0.49006190835644403
Energy: 0.4243836148820624
Energy: 0.49018771002854555
Energy: 0.4898210534874639
Energy: 0.6817400623370006
Energy: 0.4663178582138159
Energy: 0.4624910382018883
Energy: 0.4912768344132083
Energy: 0.4751640887386141
Energy: 0.46996150743412785
Energy: 0.5566545349111319
Energy: 0.5050153160377958
Energy: 0.5036465371990964
Energy: 0.4892798214497088
Energy: 0.5041159971911048
Energy: 0.4874095251961242
Energy: 0.6889567352646824
Energy: 0.4918796904013771
Energy: 0.4762858712404724
Energy: 0.41520332184923814
Energy: 0.4922689831781657
Energy: 0.49031105872957864

minimum gb energy = 0.41520332184923814 eV
minimum distance =  2.73497247297771 Angstroms
sigma value = 33


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

Energy: 0.8217034350135204
Energy: 0.5393693401793441
Energy: 0.5098893447872892
Energy: 0.5322552628256801
Energy: 0.5479282793584688
Energy: 0.5100801744584369
Energy: 0.595944581054998
Energy: 0.5224798723470822
Energy: 0.5132509712997632
Energy: 0.5094961088168795
Energy: 0.5234264402395654
Energy: 0.49323287311203096
Energy: 0.6236066578326269
Energy: 0.5229098456234278
Energy: 0.5228808621856116
Energy: 0.5089192622039941
Energy: 0.523011389105593
Energy: 0.5066991407003141
Energy: 0.6731592148592399
Energy: 0.5187747510050505
Energy: 0.5189604108861651
Energy: 0.4916171149759346
Energy: 0.5184018493959923
Energy: 0.5017531388170315
Energy: 0.6282404788253869
Energy: 0.51910608636353
Energy: 0.5190828017514001
Energy: 0.5182206475923306
Energy: 0.5157299162072754
Energy: 0.5187022401049722
Energy: 0.6712159287687206
Energy: 0.5202327858659427
Energy: 0.5206460148716258
Energy: 0.5028996319824719
Energy: 0.5197516694714395
Energy: 0.5225103616747768
Energy: 0.6699018447743575
Energy: 0.4849115717356828
Energy: 0.4737424457715593
Energy: 0.5095651436430466
Energy: 0.4911083877268414
Energy: 0.4738623192452221
Energy: 0.6276564994605227
Energy: 0.5068412448797083
Energy: 0.5078228989015323
Energy: 0.5225239705058745
Energy: 0.4875197230984371
Energy: 0.5076674472421747
Energy: 0.5503188484853195
Energy: 0.4977034936840541
Energy: 0.49765113632344526
Energy: 0.5129239913470588
Energy: 0.4980755915602706
Energy: 0.5012099618359629
Energy: 0.5496358676306032
Energy: 0.5066093134465636
Energy: 0.4879505663032504
Energy: 0.5048412157346726
Energy: 0.4986957177739711
Energy: 0.4946080247740638
Energy: 0.5732794296567908
Energy: 0.48298076779350074
Energy: 0.49744117813859473
Energy: 0.5259380853394985
Energy: 0.4828952693351077
Energy: 0.49892772341820946
Energy: 0.5157291686662324
Energy: 0.4935066905339218
Energy: 0.49852207051230657
Energy: 0.4992653067114676
Energy: 0.4922804595557741
Energy: 0.49026954609422
Energy: 0.5157341446812941
Energy: 0.5043786688420396
Energy: 0.4926283461048102
Energy: 0.5126374453279111
Energy: 0.48762693773154564
Energy: 0.5071639587019691
Energy: 0.5620453369468711
Energy: 0.4918834334700504
Energy: 0.4915026532980391
Energy: 0.5224562467251147
Energy: 0.4916846744834526
Energy: 0.5083391767038705
Energy: 0.5589909044266719
Energy: 0.4989546299394506
Energy: 0.4979755404448276
Energy: 0.5014565139556295
Energy: 0.48783442147286743
Energy: 0.503851419951285
Energy: 0.5629030483311772
Energy: 0.5034698462488555
Energy: 0.49453291552276546
Energy: 0.5208452400121537
Energy: 0.5161822101756335
Energy: 0.5188379973069591
Energy: 0.6209366191434745
Energy: 0.5109799162681765
Energy: 0.5096995427898313
Energy: 0.48373885843472364
Energy: 0.5115868764409022
Energy: 0.5117903984925211
Energy: 0.5967300862527742
Energy: 0.4897267063142654
Energy: 0.4846623021721153
Energy: 0.48707006099910055
Energy: 0.5032014879636687
Energy: 0.506729326854359
Energy: 0.5980076095588525
Energy: 0.5138222923393241
Energy: 0.5029892798550148
Energy: 0.500796834509478
Energy: 0.5138858405606824
Energy: 0.5009053910924643
Energy: 0.6259606266356627
Energy: 0.511683414558069
Energy: 0.512245887166866
Energy: 0.4736702341424458
Energy: 0.5123107396757935
Energy: 0.49830157591520935
Energy: 0.7222223533102972
Energy: 0.49668404818311945
Energy: 0.4787511476349269
Energy: 0.4832075598661605
Energy: 0.5250192959491831
Energy: 0.48296381257954735
Energy: 0.565740948362847
Energy: 0.5032858465926711
Energy: 0.500488338902186
Energy: 0.4923631313136539
Energy: 0.504775851105531
Energy: 0.5132856257347191
Energy: 0.6287941090236395
Energy: 0.5137591123952417
Energy: 0.5067885903771111
Energy: 0.5026910797726378
Energy: 0.513550654428666
Energy: 0.48805716437729274
Energy: 0.7025633294221887
Energy: 0.5015483272188037
Energy: 0.5016763375290331
Energy: 0.4917906510031529
Energy: 0.5225323616516351
Energy: 0.5073768737333832
Energy: 0.6278440474448406
Energy: 0.5059842872638056
Energy: 0.5059319303709643
Energy: 0.5022867698535305
Energy: 0.5060748224665905
Energy: 0.4930257718044209
Energy: 0.6350594298007692
Energy: 0.5156504806241086
Energy: 0.5115915311794058
Energy: 0.5024937821741985
Energy: 0.5118608244447092
Energy: 0.5022726725614817
Energy: 0.6697588953367762
Energy: 0.4800480199564697
Energy: 0.47988666000044494
Energy: 0.5056099247584825
Energy: 0.5019761466999255
Energy: 0.4853980567339882
Energy: 0.6277093033423072
Energy: 0.50459637499616
Energy: 0.5061075483855162
Energy: 0.5040756696216662
Energy: 0.499009767988816
Energy: 0.494043680497051
Energy: 0.5485815190851806
Energy: 0.4871515829774253
Energy: 0.49489219405225066
Energy: 0.5133622889890439
Energy: 0.5031114193016587
Energy: 0.49579542481087696
Energy: 0.5486126064177637
Energy: 0.5021613111109969
Energy: 0.5030098073538306
Energy: 0.499978070614125
Energy: 0.5015362235077979
Energy: 0.4951694192444129
Energy: 0.5674827785251061
Energy: 0.48260730215767245
Energy: 0.482676936087853
Energy: 0.48253939483348746
Energy: 0.4828717288290036
Energy: 0.48272928357407563
Energy: 0.5183101268000984
Energy: 0.4645018247074734
Energy: 0.4807460599822762
Energy: 0.49937351618539605
Energy: 0.49298137947185455
Energy: 0.5003897875318396
Energy: 0.5185582928858533
Energy: 0.49108507424333403
Energy: 0.49590425754645046
Energy: 0.5129439846046407
Energy: 0.49211126656207
Energy: 0.5056305051586106
Energy: 0.5202759235222686
Energy: 0.4916069546763141
Energy: 0.49663470781884694
Energy: 0.5048367420593411
Energy: 0.49205993676844634
Energy: 0.5136706656180766
Energy: 0.5588176109298701
Energy: 0.49086337156704635
Energy: 0.4899570798895959
Energy: 0.5045394010645251
Energy: 0.4742873104930574
Energy: 0.5064858339185988
Energy: 0.5573105193752194
Energy: 0.47698083434630806
Energy: 0.5196023010557889
Energy: 0.5205083608333655
Energy: 0.5015970433559162
Energy: 0.5201563622917303
Energy: 0.5575943129482914
Energy: 0.507901410338364
Energy: 0.5112328807290005
Energy: 0.5197754083228355
Energy: 0.5100459194009267
Energy: 0.5114158043087458
Energy: 0.5989729452487972
Energy: 0.49312365538597536
Energy: 0.4936003980675815
Energy: 0.5005875504474844
Energy: 0.493585944454254
Energy: 0.4927497427680335
Energy: 0.5960995669478911
Energy: 0.5267821192075739
Energy: 0.5173064038705283
Energy: 0.48709929066876084
Energy: 0.5265842340950294
Energy: 0.5068032864324226
Energy: 0.6284359474463389
Energy: 0.5233334358890096
Energy: 0.5246830242856497
Energy: 0.5066561408026959
Energy: 0.5239555423922779
Energy: 0.5075694523826819
Energy: 0.7599830789768736
Energy: 0.5123256984411629
Energy: 0.4996845577087668
Energy: 0.4920813296725085
Energy: 0.5229790785803244
Energy: 0.47863451370265575

minimum gb energy = 0.4645018247074734 eV
minimum distance =  2.76312565082835 Angstroms
sigma value = 51


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

Energy: 0.7454882861619155
Energy: 0.4837070372562901
Energy: 0.48246660545886155
Energy: 0.4698767404083673
Energy: 0.5004503709104284
Energy: 0.5290006313933412
Energy: 0.6103213667672595
Energy: 0.515186013815336
Energy: 0.5153749422437008
Energy: 0.4695125025545706
Energy: 0.5148653411856123
Energy: 0.47433042621371013
Energy: 0.6204237142875109
Energy: 0.514045887139759
Energy: 0.51495780706555
Energy: 0.5001912936398583
Energy: 0.5139364525479273
Energy: 0.48401302420479003
Energy: 0.6765161362716448
Energy: 0.4826663347716283
Energy: 0.4827625113504898
Energy: 0.4578993742714343
Energy: 0.4828464248508127
Energy: 0.5053349276453964
Energy: 0.5791596303711268
Energy: 0.49931058387252775
Energy: 0.5157131799760881
Energy: 0.4807653438609771
Energy: 0.5147458580923958
Energy: 0.5057627071293027
Energy: 0.5788151439514877
Energy: 0.5136411834357942
Energy: 0.5135864808904671
Energy: 0.513886961780232
Energy: 0.513903073668815
Energy: 0.5132470716096637
Energy: 0.5785482498335871
Energy: 0.512807459486138
Energy: 0.5074852435946124
Energy: 0.5154848147143545
Energy: 0.4562930577327808
Energy: 0.5165565698154851
Energy: 0.5994364461475485
Energy: 0.4300888479191175
Energy: 0.48520865183584116
Energy: 0.48358885357713793
Energy: 0.4298420747856149
Energy: 0.48509607357548895
Energy: 0.5140061132605324
Energy: 0.46724967332018336
Energy: 0.46739466481625574
Energy: 0.5139757397821502
Energy: 0.4772877228127358
Energy: 0.48463631707702853
Energy: 0.5145589614327789
Energy: 0.4562160009024772
Energy: 0.4941079687106814
Energy: 0.514582088162125
Energy: 0.45545034965058767
Energy: 0.4938667738355849
Energy: 0.5726794404240532
Energy: 0.4814452411579323
Energy: 0.4814302585006023
Energy: 0.5163823255436379
Energy: 0.48151094870173666
Energy: 0.5152154798720372
Energy: 0.5341952699758434
Energy: 0.45589518757812075
Energy: 0.5190252897819929
Energy: 0.5007684860774183
Energy: 0.4983889128755238
Energy: 0.49479581763116626
Energy: 0.532386790437085
Energy: 0.5024542822277203
Energy: 0.5018871578035768
Energy: 0.5203377047718144
Energy: 0.4884544410593841
Energy: 0.5130892565907454
Energy: 0.5331526456356247
Energy: 0.48680527051842304
Energy: 0.4868679752518088
Energy: 0.5212766897769847
Energy: 0.48725266104063647
Energy: 0.4619706575005681
Energy: 0.6092342287674055
Energy: 0.46526676087032137
Energy: 0.4488622652829927
Energy: 0.49772719215310773
Energy: 0.4451562987801331
Energy: 0.4472212445407543
Energy: 0.6094702787827888
Energy: 0.5216551075578275
Energy: 0.5111516929668176
Energy: 0.46158625486749877
Energy: 0.5223174254232618
Energy: 0.4596928991888473
Energy: 0.6235506581644626
Energy: 0.5216705526962593
Energy: 0.5223415000894055
Energy: 0.4901068845688279
Energy: 0.5230003818247997
Energy: 0.5152595608812549
Energy: 0.7196808275709076
Energy: 0.5012333779064718
Energy: 0.49849865198917004
Energy: 0.46480905484526314
Energy: 0.5013407677177667
Energy: 0.4887317957593105

minimum gb energy = 0.4298420747856149 eV
minimum distance =  2.75969240027955 Angstroms
sigma value = 19


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

Energy: 0.623538206936181
Energy: 0.4917018305047889
Energy: 0.48022001774989026
Energy: 0.5184338239970074
Energy: 0.4913959429812187
Energy: 0.47987451679662113
Energy: 0.473545667384099
Energy: 0.49264061568732587
Energy: 0.49271783198877583
Energy: 0.5064389494437448
Energy: 0.4922604241405676
Energy: 0.49274795423377643
Energy: 0.556038172761568
Energy: 0.4924933027217671
Energy: 0.492259306780675
Energy: 0.5020632236304112
Energy: 0.4925407086604937
Energy: 0.4918769785679285
Energy: 0.5470411126558817
Energy: 0.4924697768204778
Energy: 0.49276799268876326
Energy: 0.49305053170016444
Energy: 0.4916215177019969
Energy: 0.4920382322302515
Energy: 0.539329543500886
Energy: 0.49082146342943617
Energy: 0.49064069103549146
Energy: 0.47638406176972264
Energy: 0.4904424709926847
Energy: 0.5105223583944138
Energy: 0.5571827671231275
Energy: 0.47507911957779814
Energy: 0.5111625454586013
Energy: 0.504940779096825
Energy: 0.47517102225941166
Energy: 0.5122229571860539
Energy: 0.5568924828642742
Energy: 0.5087810543188042
Energy: 0.5010858764096201
Energy: 0.5036898887786966
Energy: 0.4836535133038413
Energy: 0.5014036379149406
Energy: 0.5422230831193889
Energy: 0.45784746409959143
Energy: 0.45782041309777766
Energy: 0.5436470683912283
Energy: 0.45760999125543345
Energy: 0.46636809124368406
Energy: 0.4929360752958364
Energy: 0.45730880235503557
Energy: 0.457256797570687
Energy: 0.4929446450214448
Energy: 0.4574831961189956
Energy: 0.4663721108152496
Energy: 0.49083687423092187
Energy: 0.49151272488133435
Energy: 0.49169452627704835
Energy: 0.49108100612649025
Energy: 0.5115872496288183
Energy: 0.49119059398829984
Energy: 0.49221227124912903
Energy: 0.5048838534989305
Energy: 0.5049324459670943
Energy: 0.49165218606467004
Energy: 0.489940342077761
Energy: 0.48272292099751346
Energy: 0.5582329787408062
Energy: 0.5108936446827096
Energy: 0.5111953227941417
Energy: 0.4912692342991584
Energy: 0.5011804613052336
Energy: 0.4924512351924639
Energy: 0.47420057319627273
Energy: 0.503393286481149
Energy: 0.5020017606394422
Energy: 0.47440377806817957
Energy: 0.5032516324945683
Energy: 0.514872332217671
Energy: 0.5586773753506481
Energy: 0.5022264660221746
Energy: 0.5032387768421304
Energy: 0.4933390876080954
Energy: 0.5021219861946284
Energy: 0.5026373725577326
Energy: 0.6260955058757509
Energy: 0.48348584070566
Energy: 0.48352722408020044
Energy: 0.4574124207692179
Energy: 0.49065573202672347
Energy: 0.45714689270107467
Energy: 0.6254391552040077
Energy: 0.491303734034333
Energy: 0.4661756545449017
Energy: 0.45786886841572844
Energy: 0.49155302828837305
Energy: 0.45783112671657855
Energy: 0.5398319368437394
Energy: 0.49076173435220777
Energy: 0.4909088366123436
Energy: 0.4857636541781329
Energy: 0.4904333252599045
Energy: 0.4921109017843883
Energy: 0.5469756954379678
Energy: 0.49150070621606434
Energy: 0.49225781934827095
Energy: 0.49074501347174043
Energy: 0.4913813974126975
Energy: 0.4922088721282997
Energy: 0.5468697265914679
Energy: 0.4924167939947084
Energy: 0.4917804978573097
Energy: 0.49255949368356144
Energy: 0.4921004157206639
Energy: 0.4923377899780168
Energy: 0.560053732222068
Energy: 0.4750666628986422
Energy: 0.5076999662561148
Energy: 0.5019577258344504
Energy: 0.47504685869784447
Energy: 0.5093645271025224
Energy: 0.5551930344580256
Energy: 0.49092779964854166
Energy: 0.513159931604616
Energy: 0.5146365522991604
Energy: 0.4909803254394247
Energy: 0.5032006756811597
Energy: 0.5579439323265218
Energy: 0.47722355413057727
Energy: 0.5088263366153577
Energy: 0.4910276200744667
Energy: 0.4770862130271955
Energy: 0.511009859477402
Energy: 0.5414060242649864
Energy: 0.45754663209693097
Energy: 0.4570227904014162
Energy: 0.5454125293978589
Energy: 0.45780720684910237
Energy: 0.47871112238357694
Energy: 0.49227579403346233
Energy: 0.4927549202626469
Energy: 0.4919998839445716
Energy: 0.49252854168786175
Energy: 0.49011851729928846
Energy: 0.49287397536283695
Energy: 0.4925957550858187
Energy: 0.5025312501483136
Energy: 0.4918951746260205
Energy: 0.4923569817568466
Energy: 0.5018360375375488
Energy: 0.49180616259818954
Energy: 0.5444798554994855
Energy: 0.4930919240734083
Energy: 0.49950332101427786
Energy: 0.5442421784760751
Energy: 0.493265142079475
Energy: 0.4914836003054954
Energy: 0.5570332230393373
Energy: 0.5097861296914641
Energy: 0.5110909952427289
Energy: 0.49017982766868673
Energy: 0.5109467845728478
Energy: 0.5105752458122477
Energy: 0.47469240870109813
Energy: 0.502792906702064
Energy: 0.5032867244346824
Energy: 0.4748923937677769
Energy: 0.5045158250273674
Energy: 0.510541313825869
Energy: 0.5433793009826631
Energy: 0.5025727415855588
Energy: 0.5020064495302475
Energy: 0.4761339823998775
Energy: 0.5036575269162658
Energy: 0.5012413249936234
Energy: 0.6256902491766401
Energy: 0.48610451172918945
Energy: 0.4662299956011735
Energy: 0.45777602108589815
Energy: 0.4905089254350055
Energy: 0.45774484833846335

minimum gb energy = 0.4570227904014162 eV
minimum distance =  2.80140414948276 Angstroms
sigma value = 27


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

Energy: 0.5482259130381194
Energy: 0.5377380915289461
Energy: 0.5760582096715615
Energy: 0.4127648341555029
Energy: 0.4770496461664617
Energy: 0.5783371800366396
Energy: 0.49804168380686287
Energy: 0.4773726993436685
Energy: 0.47722184493706316
Energy: 0.45272797172771084
Energy: 0.4772402677607235
Energy: 0.43823820862774104
Energy: 0.5053947087520932
Energy: 0.4761613505555985
Energy: 0.4764576117724492
Energy: 0.4181799392869829
Energy: 0.4750612812675939
Energy: 0.4371833107375007
Energy: 0.45223535197845155
Energy: 0.41856664387771714
Energy: 0.418898886674031
Energy: 0.43855727311282655
Energy: 0.4978223448555878
Energy: 0.4184444110593419
Energy: 0.5514359602176776
Energy: 0.4141002467582516
Energy: 0.4182370659780321
Energy: 0.47319908704122254
Energy: 0.4838897866430097
Energy: 0.4192979810992482
Energy: 0.4764302629446824
Energy: 0.4090687655181019
Energy: 0.41472533086575
Energy: 0.47631013526199856
Energy: 0.3944885702322593
Energy: 0.3953216952702733
Energy: 0.47894641675262867
Energy: 0.4480358110739979
Energy: 0.43716282799317896
Energy: 0.4767204142165469
Energy: 0.45355664942833507
Energy: 0.4370989255622487
Energy: 0.47662772069500975
Energy: 0.4452004132020337
Energy: 0.4793914125826486
Energy: 0.4768145300369042
Energy: 0.44518332483546197
Energy: 0.4797599401534423
Energy: 0.5067155791402224
Energy: 0.4171815634506162
Energy: 0.43746160139453444
Energy: 0.4757769271397317
Energy: 0.45196481776478975
Energy: 0.4377086322929497
Energy: 0.5080205078772606
Energy: 0.4377064257121541
Energy: 0.4366697260928593
Energy: 0.47959380015974473
Energy: 0.4498538711970337
Energy: 0.43700281472329894
Energy: 0.5049716409985403
Energy: 0.4770477636650015
Energy: 0.44871341206648085
Energy: 0.46834073618459837
Energy: 0.4813073340458947
Energy: 0.43842291202300904
Energy: 0.5047689233365269
Energy: 0.4492340623369968
Energy: 0.44938369462306466
Energy: 0.45241241675970223
Energy: 0.4757310446401473
Energy: 0.41868730402381793

minimum gb energy = 0.3944885702322593 eV
minimum distance =  2.78929319730413 Angstroms
sigma value = 9


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

Energy: 0.7752176814942421
Energy: 0.48043964804150613
Energy: 0.47539036302272564
Energy: 0.4502744017352368
Energy: 0.4144744945030446
Energy: 0.44996353450281573
Energy: 0.42491414921799336
Energy: 0.41484243507259894
Energy: 0.41470005985986264
Energy: 0.3973160838500998
Energy: 0.41479095453988274
Energy: 0.3948024328912329
Energy: 0.42950758905790276
Energy: 0.4144381562034803
Energy: 0.406523127151772
Energy: 0.40616511083648865
Energy: 0.4146428941663478
Energy: 0.40524973675885895
Energy: 0.5348270695626487
Energy: 0.38730647644865795
Energy: 0.38715357435748543
Energy: 0.4041068970064314
Energy: 0.40634163437970744
Energy: 0.3867920090409478
Energy: 0.4502345206958081
Energy: 0.39021626503031065
Energy: 0.36293130274602536
Energy: 0.4119760939333126
Energy: 0.3895607281368255
Energy: 0.3958637032613209
Energy: 0.4173666720988104
Energy: 0.39793093482266184
Energy: 0.3858915350049447
Energy: 0.4175125304277858
Energy: 0.37587435582015494
Energy: 0.4012538603265782
Energy: 0.4175629380127332
Energy: 0.3768171264890138
Energy: 0.37668797219851263
Energy: 0.418366177815908
Energy: 0.39207117248691115
Energy: 0.4218981117979736
Energy: 0.41079754646818545
Energy: 0.39918736688269
Energy: 0.38601328183656747
Energy: 0.410991846584353
Energy: 0.4083912834096302
Energy: 0.41257129914072604
Energy: 0.4145496795663763
Energy: 0.39701629778598413
Energy: 0.40196596520400235
Energy: 0.4126469553945222
Energy: 0.39708897193899084
Energy: 0.37723673330528895
Energy: 0.6106817387238532
Energy: 0.3967235523088476
Energy: 0.3932266123279581
Energy: 0.3900607149267038
Energy: 0.41030778160077386
Energy: 0.39861628122938003
Energy: 0.400806821302766
Energy: 0.4180691059186466
Energy: 0.42264714773012363
Energy: 0.3903177821120325
Energy: 0.41776414254210276
Energy: 0.4052722607859475
Energy: 0.41476292399966813
Energy: 0.41814249795958075
Energy: 0.41755857177089484
Energy: 0.3859404267708798
Energy: 0.41865947726901337
Energy: 0.3712295105703362
Energy: 0.6908825864549943
Energy: 0.42667956173319155
Energy: 0.4026652596637649
Energy: 0.40218706777573693
Energy: 0.41955375560666563
Energy: 0.42446439017182025
Energy: 0.46556254855761503
Energy: 0.4118756796399781
Energy: 0.40366039672850385
Energy: 0.38627047722066965
Energy: 0.41820034324884536
Energy: 0.3773234372248185
Energy: 0.4138822790107357
Energy: 0.4142615722153611
Energy: 0.40862844471001336
Energy: 0.41409717380721556
Energy: 0.4140970863528385
Energy: 0.4146092810565265
Energy: 0.4149791230071093
Energy: 0.3996328513252173
Energy: 0.39517499032227366
Energy: 0.4158168411833789
Energy: 0.4083625624149147
Energy: 0.4091576466141266
Energy: 0.4144091449461113
Energy: 0.3852062724942393
Energy: 0.36996841272347336
Energy: 0.4143847593471507
Energy: 0.3850328994440884
Energy: 0.39695316718450324
Energy: 0.43001603102462294
Energy: 0.3987556421451431
Energy: 0.39488491728439196
Energy: 0.41490526345150786
Energy: 0.39474895818731265
Energy: 0.4038187833696952
Energy: 0.42967857943397764
Energy: 0.39656405912440945
Energy: 0.4012596085336991
Energy: 0.4148430822668602
Energy: 0.4003525500283548
Energy: 0.3997907909151813
Energy: 0.4288058451833189
Energy: 0.40707076429731337
Energy: 0.3945674410243651
Energy: 0.40700430731212167
Energy: 0.4065693519835063
Energy: 0.3932897258841373
Energy: 0.4296444946241634
Energy: 0.41403060564514393
Energy: 0.4062426921075105
Energy: 0.4093934657374084
Energy: 0.41537335374599416
Energy: 0.3946403224531592
Energy: 0.4544962963730383
Energy: 0.4029824835842372
Energy: 0.42084278645068246
Energy: 0.39116514220170245
Energy: 0.4153967996721414
Energy: 0.38521309052805464
Energy: 0.4511497246055709
Energy: 0.41489913101997
Energy: 0.4178806361322616
Energy: 0.3910151207256577
Energy: 0.41490736445099574
Energy: 0.37646679588167503
Energy: 0.4296536290157346
Energy: 0.4150951013855576
Energy: 0.4079618010828432
Energy: 0.41373138698333056
Energy: 0.4147388095462177
Energy: 0.4061919958105885
Energy: 0.530802756398574
Energy: 0.38661201387117367
Energy: 0.38796312426419016
Energy: 0.4150254177065923
Energy: 0.414419848242198
Energy: 0.41712306948311345
Energy: 0.42958881944968696
Energy: 0.3856989663324417
Energy: 0.3772750759193042
Energy: 0.41236343957028454
Energy: 0.38580758353600114
Energy: 0.40418163982324345
Energy: 0.5349395447448716
Energy: 0.41089035757101733
Energy: 0.4111102951605003
Energy: 0.5349401718379196
Energy: 0.41023175540470813
Energy: 0.4020338303848243
Energy: 0.4189087001284829
Energy: 0.3770170325481246
Energy: 0.37721279199649876
Energy: 0.4181452128259982
Energy: 0.38580533775341597
Energy: 0.4218896742906539
Energy: 0.42312285382003095
Energy: 0.3970802091906341
Energy: 0.4003153344927057
Energy: 0.4188068629594023
Energy: 0.3967639535772708
Energy: 0.4228599313408835
Energy: 0.40141409248459076
Energy: 0.4117234098684973
Energy: 0.3771562700999981
Energy: 0.409272039776776
Energy: 0.40030347125835947
Energy: 0.3939987601987207
Energy: 0.4008830153045891
Energy: 0.3967806182927367
Energy: 0.4117249443844505
Energy: 0.40141410426261287
Energy: 0.3973620592180565
Energy: 0.3918511307515302
Energy: 0.6097670901897171
Energy: 0.4110218723997636
Energy: 0.39568110531929457
Energy: 0.3873836745817198
Energy: 0.41093257979942316
Energy: 0.3985827361054449
Energy: 0.4278841626700471
Energy: 0.41800559531395587
Energy: 0.41752477553713635
Energy: 0.41232664551914067
Energy: 0.4191351165255491
Energy: 0.37863465125373813
Energy: 0.5318861919482166
Energy: 0.4187514270378605
Energy: 0.41960995490938896
Energy: 0.3942366911547358
Energy: 0.418249416814179
Energy: 0.40262501123001593
Energy: 0.4267134943024875
Energy: 0.4117263566911543
Energy: 0.39493269232988165
Energy: 0.39377818224733785
Energy: 0.4115831488389137
Energy: 0.3772335284467022
Energy: 0.4150882497029034
Energy: 0.4119322252804883
Energy: 0.3770233161347584
Energy: 0.40529509883004666
Energy: 0.41044237509676723
Energy: 0.38718885513834944
Energy: 0.4134556216242609
Energy: 0.40811634325375906
Energy: 0.40410440235050515
Energy: 0.4144687653548398
Energy: 0.40685953609126685
Energy: 0.4085483170064672
Energy: 0.4146105788244812
Energy: 0.39729940015729714
Energy: 0.39708174587236944
Energy: 0.4145110274672693
Energy: 0.39782914582552975
Energy: 0.4057697960918478
Energy: 0.4431915633101909
Energy: 0.42475384953658274
Energy: 0.44844520701629886
Energy: 0.44269803880873476
Energy: 0.4480268056026755
Energy: 0.40756755850527615
Energy: 0.4296817147246205
Energy: 0.3974809363236186
Energy: 0.39708026843768557
Energy: 0.41430050541226743
Energy: 0.3984142174032442
Energy: 0.3960045909257434
Energy: 0.42872117687607236
Energy: 0.39448945809452163
Energy: 0.393956688369075
Energy: 0.4102372062624835
Energy: 0.40804152901907886
Energy: 0.40310541308866493
Energy: 0.4294745590254207
Energy: 0.41089705841538404
Energy: 0.3977749338051838
Energy: 0.4146298779271198
Energy: 0.41224079630432986
Energy: 0.39190314211662663
Energy: 0.4512651198657644
Energy: 0.41476919265879114
Energy: 0.3949013578207844
Energy: 0.3908628966626082
Energy: 0.4148744560365157
Energy: 0.3764971546064976

minimum gb energy = 0.36293130274602536 eV
minimum distance =  2.74519976509461 Angstroms
sigma value = 57


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

Energy: 0.17735156470055502
Energy: 0.1841036566860767
Energy: 0.1839972023858289
Energy: 0.17905267292919635
Energy: 0.2054251269814656
Energy: 0.17840074827996413
Energy: 0.17811744745487781
Energy: 0.18935860979540117
Energy: 0.18962308928412303
Energy: 0.2026341807296885
Energy: 0.2038006337207531
Energy: 0.20049488312769984
Energy: 0.2305691871692561
Energy: 0.2048745178990024
Energy: 0.20563850029562689
Energy: 0.20409798821010527
Energy: 0.20473050960004907
Energy: 0.21137168729299857
Energy: 0.2304156139842362
Energy: 0.20473627691425456
Energy: 0.20530371538105804
Energy: 0.20447872233063272
Energy: 0.23028036332946958
Energy: 0.21035537851750205
Energy: 0.22801505513019127
Energy: 0.17828675734517718
Energy: 0.19561650703080244
Energy: 0.22893129998524264
Energy: 0.17815825111096303
Energy: 0.19074292050259034
Energy: 0.2047467077388385
Energy: 0.1782585746926218
Energy: 0.17869231375228153
Energy: 0.18954126841556765
Energy: 0.1780656472145061
Energy: 0.1938622385454832
Energy: 0.20148239704869747
Energy: 0.18955267768274628
Energy: 0.1901380368319164
Energy: 0.20193505703205566
Energy: 0.2057969499076958
Energy: 0.21282548793143485
Energy: 0.20451958733560635
Energy: 0.20523205822106894
Energy: 0.23079451012913535
Energy: 0.20457264793705401
Energy: 0.20526846974354526
Energy: 0.20510923322119548
Energy: 0.22787331730260196
Energy: 0.20494558497639037
Energy: 0.20932227345407645
Energy: 0.20575422687691577
Energy: 0.20374867067444982
Energy: 0.2096922024616742
Energy: 0.1781532218582847
Energy: 0.20506851935141604
Energy: 0.19493633935098217
Energy: 0.1780505267696338
Energy: 0.20391883452596166
Energy: 0.19446775125395005
Energy: 0.17805302556979763
Energy: 0.18919167335103615
Energy: 0.18967286391964763
Energy: 0.17814101904224042
Energy: 0.18938557145228285
Energy: 0.1953471145516465
Energy: 0.22930571146706605
Energy: 0.20509301825212706
Energy: 0.21023637326269057
Energy: 0.20469932753319864
Energy: 0.2040360735844307
Energy: 0.19088560017510697
Energy: 0.23021578083361055
Energy: 0.2301248864583393
Energy: 0.23064265328096367
Energy: 0.2054258784924335
Energy: 0.23016151089115178
Energy: 0.23061112027847872
Energy: 0.2284560894263113
Energy: 0.20489651515064483
Energy: 0.20563540198066346
Energy: 0.22991033465400448
Energy: 0.20359827841028136
Energy: 0.19076209505161226
Energy: 0.2307729100355093
Energy: 0.1780253949658505
Energy: 0.17828018395036282
Energy: 0.2049210360726895
Energy: 0.18075808696727633
Energy: 0.1789481402694935
Energy: 0.20312464299625457
Energy: 0.21022201299171672
Energy: 0.19115086539813278
Energy: 0.20375243311368077
Energy: 0.17823893755719078
Energy: 0.18985927907121236
Energy: 0.20459050203746018
Energy: 0.21009241099150225
Energy: 0.20004564960363774
Energy: 0.2046929968398609
Energy: 0.20443106235197567
Energy: 0.21010177922839912
Energy: 0.23004813565606308
Energy: 0.20824080540810203
Energy: 0.2060257075278016
Energy: 0.23038497546890474
Energy: 0.204952518426836
Energy: 0.20556410384595705
Energy: 0.17801573028596007
Energy: 0.1899458324456224
Energy: 0.19022729569335411
Energy: 0.1781213974050423
Energy: 0.230675201992901
Energy: 0.2088296819347009

minimum gb energy = 0.17735156470055502 eV
minimum distance =  2.79091322457087 Angstroms
sigma value = 11


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

Energy: 0.6206538830106553
Energy: 0.3135797859631267
Energy: 0.36749786239905663
Energy: 0.48301263711620135
Energy: 0.3038052164259538
Energy: 0.3673041561530279
Energy: 0.31413314442266643
Energy: 0.305195938164543
Energy: 0.31319940586561323
Energy: 0.3167797273233627
Energy: 0.3085745989685456
Energy: 0.30817429672387914
Energy: 0.3123383701970087
Energy: 0.30474560426749026
Energy: 0.3041330152223649
Energy: 0.31284910586521547
Energy: 0.3052892404943257
Energy: 0.31200419783809097
Energy: 0.31164943450522986
Energy: 0.31312068662391057
Energy: 0.3203390512619192
Energy: 0.3122970655325709
Energy: 0.3104442175044203
Energy: 0.3046451615926014
Energy: 0.30378448205222297
Energy: 0.36788085028178147
Energy: 0.3373286662618535
Energy: 0.3169719463925129
Energy: 0.32619316132490367
Energy: 0.31391681286183115
Energy: 0.3316790997519042
Energy: 0.3416956384328302
Energy: 0.3427138808924273
Energy: 0.3197453278946038
Energy: 0.4276165942144577
Energy: 0.34026606880396987
Energy: 0.3366220343952253
Energy: 0.30477185402989565
Energy: 0.30491859767421475
Energy: 0.3081988646414745
Energy: 0.3191366308799442
Energy: 0.31733321251733776
Energy: 0.3147995374352817
Energy: 0.34930506095532565
Energy: 0.3488822184070871
Energy: 0.31514136685975447
Energy: 0.3513798012218824
Energy: 0.34784015229107845
Energy: 0.3362993711764462
Energy: 0.30723971037168596
Energy: 0.30771037613000357
Energy: 0.3226198209459639
Energy: 0.3095720903726443
Energy: 0.3144052473957825
Energy: 0.5116173249955558
Energy: 0.3418945025846078
Energy: 0.33713190987759156
Energy: 0.4650504285530572
Energy: 0.32473035992489613
Energy: 0.33994642552742216
Energy: 0.34875223265869904
Energy: 0.3413048401875449
Energy: 0.33319776170001003
Energy: 0.3234198120477045
Energy: 0.3410472740140322
Energy: 0.33918191284068705
Energy: 0.3737673923712056
Energy: 0.29539082456378457
Energy: 0.3043866992219413
Energy: 0.3591346132592155
Energy: 0.3005645443551998
Energy: 0.3586993256695166
Energy: 0.4134968709649053
Energy: 0.3915448699929962
Energy: 0.393943282351413
Energy: 0.3609527269330642
Energy: 0.42786219833230904
Energy: 0.36073766476149033
Energy: 0.3688104589522473
Energy: 0.3564478036875448
Energy: 0.3571337489360067
Energy: 0.36907441878132424
Energy: 0.33883927232653094
Energy: 0.35626945915820896
Energy: 0.3686399726411365
Energy: 0.3584947574984633
Energy: 0.3594435110630376
Energy: 0.32047948148806127
Energy: 0.41874138392709553
Energy: 0.3414287556744813
Energy: 0.4741885283734699
Energy: 0.35968732166070505
Energy: 0.3565972511858326
Energy: 0.3397636619155333
Energy: 0.3382537095276014
Energy: 0.3724999854089015
Energy: 0.4423055113327597
Energy: 0.4325087101163377
Energy: 0.32717495456393886
Energy: 0.42768655960981794
Energy: 0.4191253463973387
Energy: 0.32861820938006864
Energy: 0.5991712769038269
Energy: 0.339690578801371
Energy: 0.3410052146129755
Energy: 0.31996900964482317
Energy: 0.3388095698645071
Energy: 0.3743201314427336
Energy: 0.357386018012111
Energy: 0.3251748464365089
Energy: 0.32856140795475886
Energy: 0.30952018740317
Energy: 0.3237581941730294
Energy: 0.316850221920599
Energy: 0.378612186519763
Energy: 0.3598440053905867
Energy: 0.362332682138048
Energy: 0.37527555171744365
Energy: 0.42079828443236217
Energy: 0.36376664574015194
Energy: 0.4745349636821044
Energy: 0.34951878287801036
Energy: 0.338056146785556
Energy: 0.3245719232653572
Energy: 0.3412982283546885
Energy: 0.3332372256163885
Energy: 0.38284742389697135
Energy: 0.4086910889920352
Energy: 0.39299316211989893
Energy: 0.3827713032497469
Energy: 0.3948652246464168
Energy: 0.35285514865532414
Energy: 0.3080088342302689
Energy: 0.32266611887736407
Energy: 0.33856834068909863
Energy: 0.30853124057839687
Energy: 0.3239754016994279
Energy: 0.3328027763079448
Energy: 0.35240508452930724
Energy: 0.36886249202029975
Energy: 0.3495984946853356
Energy: 0.3529285540146727
Energy: 0.3744730310494584
Energy: 0.3502180301378104
Energy: 0.34484998722432786
Energy: 0.30456684576272824
Energy: 0.33300981462057155
Energy: 0.34556995696467485
Energy: 0.3115359743193733
Energy: 0.34597427077320286
Energy: 0.35462914293437564
Energy: 0.3240072878508747
Energy: 0.3135892219443007
Energy: 0.32456023086484576
Energy: 0.31697223622034826
Energy: 0.2967405451628349

minimum gb energy = 0.29539082456378457 eV
minimum distance =  2.75479786397535 Angstroms
sigma value = 41


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

Energy: 0.6053276213885119
Energy: 0.3404222241621057
Energy: 0.3404265762422964
Energy: 0.46912032084022054
Energy: 0.3308343265776028
Energy: 0.4681167752651781
Energy: 0.3483928306228678
Energy: 0.3355060021390251
Energy: 0.343977911117165
Energy: 0.3355864130637485
Energy: 0.33344864379018
Energy: 0.3358090763006074
Energy: 0.3312657541162803
Energy: 0.33313692902618325
Energy: 0.33180014660853413
Energy: 0.33113761218268173
Energy: 0.3307116450976039
Energy: 0.3329164136152854
Energy: 0.3313997203623832
Energy: 0.34237584289802503
Energy: 0.33271221898885756
Energy: 0.33149422396424466
Energy: 0.3313708706118337
Energy: 0.33178827209306827
Energy: 0.332285006474401
Energy: 0.3457784066272959
Energy: 0.35064181989299714
Energy: 0.3325370279004763
Energy: 0.3538132951356214
Energy: 0.33332634836165925
Energy: 0.37487747505667657
Energy: 0.3897309537667392
Energy: 0.38984963233325776
Energy: 0.33189037032648777
Energy: 0.385449341698168
Energy: 0.3900126680165076
Energy: 0.37501031546157226
Energy: 0.33081513375191973
Energy: 0.33150393932993605
Energy: 0.3332034085850212
Energy: 0.3477406332427793
Energy: 0.34296470787486527
Energy: 0.3465361117777999
Energy: 0.40442331388465946
Energy: 0.4042689368996848
Energy: 0.3466342416215803
Energy: 0.4045443435462312
Energy: 0.33682149113945753
Energy: 0.3757940676388634
Energy: 0.33196519846987493
Energy: 0.33241349477526994
Energy: 0.35160683995069647
Energy: 0.33566578849803336
Energy: 0.3331110632515334
Energy: 0.44550457559803647
Energy: 0.3368284384373644
Energy: 0.34010291488025446
Energy: 0.4202415874753181
Energy: 0.33632133379435836
Energy: 0.3465295583298755
Energy: 0.4461128937942382
Energy: 0.33907496492930955
Energy: 0.3468203617278311
Energy: 0.42016559940574505
Energy: 0.3371281567222604
Energy: 0.333255933940026
Energy: 0.437478594188163
Energy: 0.3175270146672166
Energy: 0.3174477447261518
Energy: 0.41136164601475056
Energy: 0.31848564244098254
Energy: 0.3539040783757959
Energy: 0.3913514886051091
Energy: 0.4657360629265776
Energy: 0.4652059063328027
Energy: 0.39137599552282526
Energy: 0.4745632276425152
Energy: 0.46496505704344415
Energy: 0.3363607763685741
Energy: 0.3320032263150201
Energy: 0.3442046413524738
Energy: 0.3366647146085184
Energy: 0.35156882021528413
Energy: 0.3435068876968957
Energy: 0.4027277002560724
Energy: 0.39462486798912283
Energy: 0.3990841609027328
Energy: 0.4026929077998655
Energy: 0.3930789495361988
Energy: 0.40205749109750394
Energy: 0.3334111982393742
Energy: 0.35101150642070816
Energy: 0.332052816336754
Energy: 0.3465508183865492
Energy: 0.33381241952706603
Energy: 0.33361806702582514
Energy: 0.5440167286984894
Energy: 0.33511042088575355
Energy: 0.31651731425885027
Energy: 0.46801818364108677
Energy: 0.33151425354405595
Energy: 0.4642731333906066
Energy: 0.3479906944799492
Energy: 0.33204844846871945
Energy: 0.3427717420405362
Energy: 0.35498824543989965
Energy: 0.3327938165675113
Energy: 0.34382479129980287
Energy: 0.3323337048692745
Energy: 0.3314378969029509
Energy: 0.33333714397835834
Energy: 0.3332410242082515
Energy: 0.331281988527459
Energy: 0.3326677580160587
Energy: 0.33079016100850916
Energy: 0.3324985876119451
Energy: 0.33221240729230855
Energy: 0.33084237541039885
Energy: 0.33142360884500055
Energy: 0.33186786953850733
Energy: 0.3328105932941881
Energy: 0.33172677504055886
Energy: 0.3356929914300838
Energy: 0.3329674095940016
Energy: 0.335513532711508
Energy: 0.34432588004486364
Energy: 0.3439393778627365
Energy: 0.387785138295316
Energy: 0.3836888878592599
Energy: 0.343194071251134
Energy: 0.3875377211578073
Energy: 0.3835515808328303
Energy: 0.37574362573712683
Energy: 0.3312966987122035
Energy: 0.33329548904745776
Energy: 0.3332767155576195
Energy: 0.3356310527404513
Energy: 0.3434765168527442
Energy: 0.3465165032417221
Energy: 0.399234648667268
Energy: 0.40170724960783993
Energy: 0.3466873914211615
Energy: 0.3995223877174054
Energy: 0.33744561065147377
Energy: 0.3750338639444336
Energy: 0.3307836559690431
Energy: 0.3318172777249195
Energy: 0.351238701821359
Energy: 0.33382944259490416
Energy: 0.3432521814089447
Energy: 0.4458485866160544
Energy: 0.3372769900419191
Energy: 0.3554977789438091
Energy: 0.4202032107354545
Energy: 0.3363836157196236
Energy: 0.34604833859436746
Energy: 0.4456761982156723
Energy: 0.39113131130584716
Energy: 0.41025715982366745
Energy: 0.42042670458523196
Energy: 0.39114580256742776
Energy: 0.3339483380045284
Energy: 0.43840948855707335
Energy: 0.33558350652962415
Energy: 0.3598922279326993
Energy: 0.3546473255541767
Energy: 0.3358103956343782
Energy: 0.33297088671455505
Energy: 0.39132237335384706
Energy: 0.466951354961146
Energy: 0.46699864295842003
Energy: 0.3912720181313376
Energy: 0.4681354958883348
Energy: 0.4666834267757665
Energy: 0.33730596198040497
Energy: 0.3538013189863905
Energy: 0.33630351249109597
Energy: 0.33697653022709695
Energy: 0.3598800899646935
Energy: 0.3464246010610324
Energy: 0.3951444989608424
Energy: 0.3923632413044652
Energy: 0.39944430145866733
Energy: 0.3949222003831141
Energy: 0.3918589107885802
Energy: 0.39474168621154765
Energy: 0.3943153576393713
Energy: 0.33119043251300445
Energy: 0.3319954230111036
Energy: 0.3349956702624642
Energy: 0.3329258120539821
Energy: 0.330824993564373
Energy: 0.5447505094242258
Energy: 0.33249041958020165
Energy: 0.3428059940130002
Energy: 0.46756490699390424
Energy: 0.33231555697497944
Energy: 0.3518855250601064

minimum gb energy = 0.31651731425885027 eV
minimum distance =  2.74006580132979 Angstroms
sigma value = 33


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

Energy: 0.4576865708173644
Energy: 0.5595632598399082
Energy: 0.5594011421034505
Energy: 0.45802175605988277
Energy: 0.3676766488472079
Energy: 0.5596325566100407
Energy: 0.39093786305544664
Energy: 0.3601289693127343
Energy: 0.35923837697054917
Energy: 0.37228821194250017
Energy: 0.37097656562284653
Energy: 0.3591746929217461
Energy: 0.3673838653207814
Energy: 0.3592848279628123
Energy: 0.35811355964349045
Energy: 0.36741551426373686
Energy: 0.3708912912768071
Energy: 0.3577605019389035
Energy: 0.3675248286425727
Energy: 0.3732539346628522
Energy: 0.35785801021615604
Energy: 0.36696800520861966
Energy: 0.3588830915371988
Energy: 0.3576770336682383
Energy: 0.36795469595048624
Energy: 0.3643891961782378
Energy: 0.34770097488850327
Energy: 0.3685514377796
Energy: 0.3671260843930987
Energy: 0.34812344079242746
Energy: 0.4989227926026767
Energy: 0.3474291557041737
Energy: 0.34774634165231094
Energy: 0.38540027725380055
Energy: 0.4541797092271586
Energy: 0.347311587273661
Energy: 0.39074982518144163
Energy: 0.3485596075198567
Energy: 0.36036229803048964
Energy: 0.37417980270283413
Energy: 0.3631217505857739
Energy: 0.3614613040382115
Energy: 0.3848525068912843
Energy: 0.35731830732040115
Energy: 0.3663591323458701
Energy: 0.3854078283615992
Energy: 0.35743055596261125
Energy: 0.3671195298547884
Energy: 0.39312190478686415
Energy: 0.3473219996197016
Energy: 0.34734603373947454
Energy: 0.40681164626284216
Energy: 0.3494378369211444
Energy: 0.347804037214514
Energy: 0.5243137180567954
Energy: 0.3495590737411723
Energy: 0.34918668588414775
Energy: 0.3754615912042256
Energy: 0.34935676901096313
Energy: 0.34936065312382825
Energy: 0.3918235577596169
Energy: 0.34857857918659924
Energy: 0.3509458099382629
Energy: 0.3660287064438085
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Energy: 0.3476415764751516
Energy: 0.34725394849298763
Energy: 0.36591502769370543
Energy: 0.34695483117576303
Energy: 0.36080494209163366
Energy: 0.36573169137195854
Energy: 0.34789786141498
Energy: 0.3440559926936357
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Energy: 0.3597731921318754
Energy: 0.3633919133285036
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Energy: 0.35759882552719413
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Energy: 0.36090725663356354
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Energy: 0.3608045017802612
Energy: 0.5228707975645683
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Energy: 0.35046930274767274
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Energy: 0.37643278187829776
Energy: 0.34834316627474277
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Energy: 0.3819223233621325
Energy: 0.34735430526981637
Energy: 0.36680354081229716
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Energy: 0.3467964300219988
Energy: 0.37107797097287787
Energy: 0.389955375727161
Energy: 0.3673394772414665
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Energy: 0.3477353545151502
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Energy: 0.3490663892122352
Energy: 0.3515152504692458
Energy: 0.34715942817376966
Energy: 0.3552869937597413
Energy: 0.34750086747742137
Energy: 0.35595938129220456
Energy: 0.3554456225130231
Energy: 0.34905506684092114
Energy: 0.3558032760618977
Energy: 0.36687652713598634
Energy: 0.361586192172428
Energy: 0.36079866371791275
Energy: 0.3623974574589715
Energy: 0.37445754252653496
Energy: 0.36126793099095594
Energy: 0.660084989507402
Energy: 0.3570050954848308
Energy: 0.3465185963517916
Energy: 0.34612376577106546
Energy: 0.47422201480737997
Energy: 0.3470701828225659

minimum gb energy = 0.3440559926936357 eV
minimum distance =  2.77009026816336 Angstroms
sigma value = 67


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

Energy: 0.5432243659649794
Energy: 0.3798794295526367
Energy: 0.3797906481502525
Energy: 0.37835717508080785
Energy: 0.40619418272629143
Energy: 0.37980814492259246
Energy: 0.4221463127509413
Energy: 0.3741096266780124
Energy: 0.37347530394337153
Energy: 0.3816912708303593
Energy: 0.3790996646599533
Energy: 0.3738586391367998
Energy: 0.3949301578061784
Energy: 0.34858298809543165
Energy: 0.3796905602711837
Energy: 0.38087298664497726
Energy: 0.347803071092739
Energy: 0.3797104540992704
Energy: 0.3951833671882977
Energy: 0.38255115611317286
Energy: 0.38165921627680033
Energy: 0.37893853305522085
Energy: 0.37558273348530286
Energy: 0.38206213651003745
Energy: 0.4024858176005158
Energy: 0.3828709828834033
Energy: 0.3831307112227258
Energy: 0.40260953045308634
Energy: 0.3827438458293674
Energy: 0.3834055594500974
Energy: 0.40161831328007463
Energy: 0.3647799395696012
Energy: 0.38450707636866893
Energy: 0.4019113779514271
Energy: 0.3655826918058252
Energy: 0.3851072722960693
Energy: 0.4223066679147608
Energy: 0.38241025224763464
Energy: 0.3822770905854568
Energy: 0.3625657630782065
Energy: 0.37919541741336843
Energy: 0.3823554864890928

minimum gb energy = 0.347803071092739 eV
minimum distance =  2.79977170347089 Angstroms
sigma value = 3


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

Energy: 0.5344569185165053
Energy: 0.5093682068403651
Energy: 0.45985683311246967
Energy: 0.416740579839453
Energy: 0.5230193482986466
Energy: 0.46164221144694806
Energy: 0.42963068820663625
Energy: 0.43047354745862365
Energy: 0.4064756241821056
Energy: 0.43182387247321896
Energy: 0.4166169102196485
Energy: 0.4062823246040052
Energy: 0.40873779031850577
Energy: 0.40503172961471656
Energy: 0.40497116891329604
Energy: 0.4092391670290783
Energy: 0.4053742496174238
Energy: 0.4068003401197984
Energy: 0.4065228053464753
Energy: 0.40602476567521173
Energy: 0.40589843768121847
Energy: 0.4074418284214899
Energy: 0.4145332468938499
Energy: 0.4057257033494174
Energy: 0.40583515914007967
Energy: 0.4057458127683255
Energy: 0.40587294650312006
Energy: 0.40612480577575405
Energy: 0.4250047189870101
Energy: 0.406838228996647
Energy: 0.40534168432484907
Energy: 0.4058293724393771
Energy: 0.40649462524971075
Energy: 0.4055414437133776
Energy: 0.425761374745768
Energy: 0.4070050728929479
Energy: 0.4063903201703388
Energy: 0.4311322402120146
Energy: 0.42704401301935463
Energy: 0.4354083816614946
Energy: 0.4447785968469588
Energy: 0.4284425223514478
Energy: 0.5872980602796386
Energy: 0.4917552913311545
Energy: 0.43047241940209996
Energy: 0.40536081863050205
Energy: 0.46760835387819694
Energy: 0.44389891895457134
Energy: 0.4079340245026101
Energy: 0.40694801341608594
Energy: 0.4398816915336579
Energy: 0.4142076760953315
Energy: 0.4181230230571013
Energy: 0.4169322049777508
Energy: 0.5072701365747121
Energy: 0.41354348436670624
Energy: 0.4110095056011397
Energy: 0.4801049836936851
Energy: 0.413598426175386
Energy: 0.44545629721563823
Energy: 0.4348650362450075
Energy: 0.4052259284968474
Energy: 0.42800779136511724
Energy: 0.43517144900674654
Energy: 0.4068504004196607
Energy: 0.43222300462901264
Energy: 0.4549651372534266
Energy: 0.4072273406365811
Energy: 0.407295175645423
Energy: 0.45886822340477246
Energy: 0.41831237720470815
Energy: 0.4072166842367647
Energy: 0.42855616596376384
Energy: 0.40746494934066535
Energy: 0.40785110856624623
Energy: 0.43145649105548156
Energy: 0.40692963800073945
Energy: 0.40764860958804844
Energy: 0.45377373675013954
Energy: 0.40949544321160375
Energy: 0.40593328780958077
Energy: 0.42481513156352263
Energy: 0.4073139583021693
Energy: 0.40582259592964226
Energy: 0.5175825482490307
Energy: 0.4081262441977411
Energy: 0.40822779525041336
Energy: 0.40495015360084374
Energy: 0.4077794851295164
Energy: 0.4077298155697037
Energy: 0.4668891600025114
Energy: 0.41017693611543826
Energy: 0.4069068381753187
Energy: 0.4386681424934985
Energy: 0.4207077925150131
Energy: 0.4064971834151797
Energy: 0.557748676965068
Energy: 0.4295284265611773
Energy: 0.4256085286858792
Energy: 0.558345719158302
Energy: 0.4341547793741273
Energy: 0.4285317925151707
Energy: 0.4457525028173151
Energy: 0.40634531121537587
Energy: 0.40678623007512005
Energy: 0.4316234118380824
Energy: 0.42224303019274273
Energy: 0.4077853105696877
Energy: 0.4521136015008657
Energy: 0.42200746500963376
Energy: 0.4072057226864401
Energy: 0.4248924525263323
Energy: 0.4199602642946049
Energy: 0.4139466503362675
Energy: 0.4225412148155298
Energy: 0.4281905566569117
Energy: 0.4279075638134925
Energy: 0.4278481970719195
Energy: 0.4271465168889578
Energy: 0.4132266840801375
Energy: 0.4274860953378474
Energy: 0.40680805396597763
Energy: 0.4062781638118946
Energy: 0.43686818111641107
Energy: 0.4098924362680935
Energy: 0.4327374954225771
Energy: 0.4276198692553683
Energy: 0.43108927628785587
Energy: 0.42517787974819643
Energy: 0.4354825184185151
Energy: 0.4077072668361038
Energy: 0.42457985887476063
Energy: 0.43289260985352523
Energy: 0.4280121524832648
Energy: 0.4245655991770192
Energy: 0.4323150132361209
Energy: 0.43120461866486476
Energy: 0.4390136552080214
Energy: 0.42987316699099837
Energy: 0.4053400058605953
Energy: 0.4050831120261971
Energy: 0.4305745285946634
Energy: 0.4053871943299325
Energy: 0.42930686261117346
Energy: 0.40714481979002237
Energy: 0.42554406823776536
Energy: 0.40270570130879835
Energy: 0.4208572181067475
Energy: 0.42949403892155597
Energy: 0.40263867311046636
Energy: 0.4660104101459737
Energy: 0.4330279293689147
Energy: 0.4319381593003832
Energy: 0.4045760333139702
Energy: 0.48535320180916963
Energy: 0.4384109058453069
Energy: 0.4028405738149012
Energy: 0.43321708354248706
Energy: 0.4327878509510465
Energy: 0.42262795822041405
Energy: 0.4861130027101869
Energy: 0.42575253571029975
Energy: 0.40835465623472106
Energy: 0.40258810925447147
Energy: 0.4027843951087518
Energy: 0.4326663441460007
Energy: 0.4223342777665379
Energy: 0.4028044701099114
Energy: 0.4137212327684646
Energy: 0.40564523634144467
Energy: 0.40545218848611386
Energy: 0.41386634598942773
Energy: 0.4058035254230398
Energy: 0.41455145711059066
Energy: 0.41406232938774123
Energy: 0.42642158555346293
Energy: 0.4152751883041877
Energy: 0.41492623925720873
Energy: 0.4126687488058605
Energy: 0.4159737633874534
Energy: 0.413825361116057
Energy: 0.4164899276244732
Energy: 0.41544082892036305
Energy: 0.4156684290502101
Energy: 0.4320344642213027
Energy: 0.4153068674541168
Energy: 0.41884320398740643
Energy: 0.41700051898294765
Energy: 0.43004385340972245
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Energy: 0.4254980824377341
Energy: 0.4232858121586546
Energy: 0.46800565119941734
Energy: 0.4474081358126711
Energy: 0.447561187483585
Energy: 0.40451864815824135
Energy: 0.46636894257255845
Energy: 0.4320236950358787
Energy: 0.4206102319368413
Energy: 0.4070389967716082
Energy: 0.4078449310804264
Energy: 0.41979843381701887
Energy: 0.4352774560053911
Energy: 0.4177647426803032
Energy: 0.424701963511971
Energy: 0.40650015163766984
Energy: 0.4164067272888585
Energy: 0.41344485699837424
Energy: 0.40697364009920445
Energy: 0.43249912341900515
Energy: 0.4722522957146639
Energy: 0.41339120928673034
Energy: 0.41094661260404836
Energy: 0.47280590071805306
Energy: 0.4137060267739095
Energy: 0.4453665933381612
Energy: 0.4516108298353833
Energy: 0.4063402850211088
Energy: 0.4065118175273638
Energy: 0.4418280921494193
Energy: 0.43133626115738916
Energy: 0.407075414279837
Energy: 0.454947214002383
Energy: 0.4072919724173272
Energy: 0.40731748570913284
Energy: 0.4042689835805481
Energy: 0.40701283997211946
Energy: 0.43210292391071303
Energy: 0.4579550074992056
Energy: 0.4063883703140128
Energy: 0.4063652163919727
Energy: 0.4480390360457349
Energy: 0.4098619768391118
Energy: 0.406224107047178
Energy: 0.4488190994378212
Energy: 0.40710544537211196
Energy: 0.4069141999833567
Energy: 0.4043814216797372
Energy: 0.41194394916353433
Energy: 0.4068279398980022
Energy: 0.47125199158242853
Energy: 0.4095654136630429
Energy: 0.40610971295331966
Energy: 0.4385846012476584
Energy: 0.4273775257385114
Energy: 0.4058440595413142
Energy: 0.48925763485089246
Energy: 0.40614781424337715
Energy: 0.40555705475860715
Energy: 0.48956300775324557
Energy: 0.42745983117313
Energy: 0.4075083871653536
Energy: 0.5675933642423333
Energy: 0.43328259290157095
Energy: 0.42914521835364633
Energy: 0.5602511705594356
Energy: 0.42684157604605955
Energy: 0.4290573673418163
Energy: 0.4420050760680569
Energy: 0.40939116279781657
Energy: 0.40603166131739155
Energy: 0.41490157680806494
Energy: 0.40730163999711544
Energy: 0.4063400619712254
Energy: 0.6481358449858279
Energy: 0.42369124218351395
Energy: 0.41301234682377025
Energy: 0.41971900970976783
Energy: 0.422291410256233
Energy: 0.41371027599522997
Energy: 0.42595338994936577
Energy: 0.426375299146745
Energy: 0.4277940655658333
Energy: 0.4153446991260268
Energy: 0.4236138965531254
Energy: 0.4292853532863286
Energy: 0.4194971296814822
Energy: 0.4180171241105876
Energy: 0.4170968944758697
Energy: 0.4251966417958797
Energy: 0.4290395173201551
Energy: 0.4167890317848906
Energy: 0.4190722862123082
Energy: 0.4199382287669429
Energy: 0.4202391315883249
Energy: 0.4191078165739897
Energy: 0.4318833455717318
Energy: 0.4207663068903005
Energy: 0.4194810594520986
Energy: 0.4039223021113323
Energy: 0.4059138389278504
Energy: 0.420336554832138
Energy: 0.4045986581997416
Energy: 0.42575074228491533
Energy: 0.4075536640878012
Energy: 0.4043758607074828
Energy: 0.4041761013022034
Energy: 0.4168888660760252
Energy: 0.40493509042479237
Energy: 0.40675457051559555
Energy: 0.43044865817784494
Energy: 0.41789556677124334
Energy: 0.4209409053767682
Energy: 0.42831298781243177
Energy: 0.4132601839685152
Energy: 0.40807174308215

minimum gb energy = 0.40258810925447147 eV
minimum distance =  2.77863195159736 Angstroms
sigma value = 81


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

Energy: 0.7896689624396982
Energy: 0.42475954651293396
Energy: 0.38185404913733983
Energy: 0.38328724571519224
Energy: 0.43444384920031376
Energy: 0.4249955484924737
Energy: 0.4278207057243312
Energy: 0.3980821562230617
Energy: 0.39819221126193377
Energy: 0.4058381867014912
Energy: 0.42486488729598926
Energy: 0.4291712062368119
Energy: 0.46465513210309484
Energy: 0.43738159171929814
Energy: 0.4371551443434389
Energy: 0.4064887348211437
Energy: 0.42230057927735665
Energy: 0.4687135371378541
Energy: 0.46496087291856614
Energy: 0.44007786779951674
Energy: 0.4812806331381242
Energy: 0.46496441328364796
Energy: 0.4224657208587022
Energy: 0.3993182433617964
Energy: 0.4634701942622149
Energy: 0.4758661757804759
Energy: 0.4789964868011662
Energy: 0.4641949098237142
Energy: 0.49090139134147415
Energy: 0.4758424939856165
Energy: 0.4673823895033866
Energy: 0.47601364188822526
Energy: 0.477545325230453
Energy: 0.48322959901445117
Energy: 0.4786770335722509
Energy: 0.47854064387033723
Energy: 0.45100598879520754
Energy: 0.46476364033280376
Energy: 0.48102037321235036
Energy: 0.44899808054476753
Energy: 0.4686346132164197
Energy: 0.4789873469600226
Energy: 0.43439220074950163
Energy: 0.5221551767679088
Energy: 0.5207671692762679
Energy: 0.44628321197697995
Energy: 0.49697126357653987
Energy: 0.46580247362348737
Energy: 0.4524317287679243
Energy: 0.4736105445457902
Energy: 0.4592990323810386
Energy: 0.4516396843129231
Energy: 0.44162539333947537
Energy: 0.42619657971110664
Energy: 0.4631809550277698
Energy: 0.40046895853011777
Energy: 0.40088934746713106
Energy: 0.4346970090297578
Energy: 0.378729775681901
Energy: 0.3788427734923258
Energy: 0.46214406941216146
Energy: 0.40105620312134427
Energy: 0.4006314275989449
Energy: 0.4616930750625682
Energy: 0.37917603546529804
Energy: 0.42715043515832113
Energy: 0.4220483775427085
Energy: 0.47329787731003187
Energy: 0.47445230886149736
Energy: 0.42230000639975335
Energy: 0.4421773769067752
Energy: 0.4591058993233597
Energy: 0.4222198376246438
Energy: 0.46481009857723743
Energy: 0.46292336477092605
Energy: 0.42236979888127135
Energy: 0.4654301380474891
Energy: 0.44224500621386725
Energy: 0.4615575701191609
Energy: 0.4720357838514269
Energy: 0.47677411541702536
Energy: 0.47242940733003586
Energy: 0.4630215515004399
Energy: 0.4792716480833455
Energy: 0.4713101252462315
Energy: 0.4823110444665397
Energy: 0.47935435127089
Energy: 0.47561127675118164
Energy: 0.48934189252603477
Energy: 0.4801483823611731
Energy: 0.4678004573364402
Energy: 0.4743577452645425
Energy: 0.4767693123750304
Energy: 0.4680949728978194
Energy: 0.4743344531944618
Energy: 0.47867014976331845
Energy: 0.541660025350162
Energy: 0.4278408940900281
Energy: 0.4288015532371401
Energy: 0.5418831068242882
Energy: 0.4191110398421058
Energy: 0.4387073730547514
Energy: 0.4556584020063767
Energy: 0.4534440109528068
Energy: 0.47814907634894327
Energy: 0.4802209415467238
Energy: 0.4535036681362964
Energy: 0.49242638384359594
Energy: 0.3814348077891247
Energy: 0.45351933507825254
Energy: 0.3786971460974297
Energy: 0.37970689159267546
Energy: 0.4535766048961393
Energy: 0.3787992912092397
Energy: 0.3806244908054678
Energy: 0.4540477226345402
Energy: 0.37884267890395484
Energy: 0.3828823924398402
Energy: 0.4538792523142365
Energy: 0.37874183319524185
Energy: 0.45467102474925347
Energy: 0.45386677562637257
Energy: 0.4599371252581692
Energy: 0.47686857824414025
Energy: 0.4534440808043547
Energy: 0.5064857783734243
Energy: 0.46518412545807686
Energy: 0.4243522044861657
Energy: 0.4249963320672498
Energy: 0.4648932678015846
Energy: 0.4381946053121738
Energy: 0.46194209354944354
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Energy: 0.4728869395168939
Energy: 0.4783635107476929
Energy: 0.4628423918770546
Energy: 0.4747507029291001
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Energy: 0.4805713658860412
Energy: 0.4772211166123807
Energy: 0.4808096470715625
Energy: 0.4793942729167997
Energy: 0.4596386015562053
Energy: 0.48539210538634353
Energy: 0.48041088373749247
Energy: 0.43374624520657074
Energy: 0.468772603569531
Energy: 0.4779041852201079
Energy: 0.43476109076932234
Energy: 0.5148561480843826
Energy: 0.5158994268918184
Energy: 0.4469002431309862
Energy: 0.5145523953875848
Energy: 0.45035699578258515
Energy: 0.43526109425473164
Energy: 0.4385700859397641
Energy: 0.4550371179437154
Energy: 0.4288985235261298
Energy: 0.4771950292403566
Energy: 0.49007370558521585
Energy: 0.46080858350149717
Energy: 0.37962658817823547
Energy: 0.4339293288899101
Energy: 0.46195743724036126
Energy: 0.40938809116921265
Energy: 0.42684410416457186
Energy: 0.4611518472430142
Energy: 0.37914889387567946
Energy: 0.3795358736745636
Energy: 0.4300930416396521
Energy: 0.4009687555232664
Energy: 0.4007934612260443
Energy: 0.4558653776067646
Energy: 0.4375598419009013
Energy: 0.4569653663076034
Energy: 0.45148387900152787
Energy: 0.44207961093641074
Energy: 0.4337138908978236
Energy: 0.4223711130126377
Energy: 0.4472928198826948
Energy: 0.436085867952748
Energy: 0.4222520904664675
Energy: 0.4800279588642587
Energy: 0.44010065465843023
Energy: 0.45401064045226247
Energy: 0.46426162541617133
Energy: 0.46432179134093876
Energy: 0.44915843597798644
Energy: 0.4636844465277643
Energy: 0.45779852318751457
Energy: 0.45373529114678585
Energy: 0.4731146704952463
Energy: 0.4757524818398997
Energy: 0.4790599218499012
Energy: 0.4658758459298668
Energy: 0.4739504443979366
Energy: 0.46762809968842006
Energy: 0.4740902075644362
Energy: 0.4759546549931111
Energy: 0.46915891557635814
Energy: 0.4780463771138118
Energy: 0.47521655100634597
Energy: 0.46888751420590774
Energy: 0.3979843249033903
Energy: 0.48323764401067254
Energy: 0.46823259808877676
Energy: 0.4497103635311806
Energy: 0.4147648394589578
Energy: 0.5428895487022457
Energy: 0.4277702400318884
Energy: 0.4276724445905602
Energy: 0.5067537527692617
Energy: 0.4460862826236993
Energy: 0.5192973059074312
Energy: 0.4623236116413727
Energy: 0.39833155117084046
Energy: 0.3983212587805256
Energy: 0.4055897710240843
Energy: 0.42484157419477897
Energy: 0.4145977138239448
Energy: 0.5326826318934895
Energy: 0.40581968421897435
Energy: 0.3819864700702543
Energy: 0.38017666176887094
Energy: 0.40657502580607474
Energy: 0.42561594571989975

minimum gb energy = 0.3786971460974297 eV
minimum distance =  2.78692816489112 Angstroms
sigma value = 43


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

Energy: 0.4019367342969429
Energy: 0.5043558674842332
Energy: 0.46678317171200817
Energy: 0.41456627295596876
Energy: 0.5315114828166035
Energy: 0.4146594236175782
Energy: 0.39797426416329246
Energy: 0.4102202077229374
Energy: 0.40678145499492124
Energy: 0.4059763065269932
Energy: 0.40324452717889625
Energy: 0.40614781601327676
Energy: 0.40764443353404417
Energy: 0.39722945810197197
Energy: 0.39723774992100147
Energy: 0.42045757242378
Energy: 0.39715465409241935
Energy: 0.4055804290199523
Energy: 0.4066367514239269
Energy: 0.39735206632939224
Energy: 0.40596626620554926
Energy: 0.40620900293452117
Energy: 0.40059170427367585
Energy: 0.4059807861001045
Energy: 0.4058103199219676
Energy: 0.412168010797729
Energy: 0.4217968202045615
Energy: 0.4058962043226649
Energy: 0.4159705104340098
Energy: 0.4216574778304522
Energy: 0.40631816501852575
Energy: 0.41901870766362964
Energy: 0.42178649767559984
Energy: 0.4060418324772878
Energy: 0.40597470335131974
Energy: 0.42413512385680463
Energy: 0.4062119942400311
Energy: 0.4068838170703686
Energy: 0.4070406601455
Energy: 0.4064959273161406
Energy: 0.40670426755564465
Energy: 0.406273827439065
Energy: 0.43358075870747237
Energy: 0.40652717242126374
Energy: 0.40660159637125226
Energy: 0.40051482247144793
Energy: 0.40663106505272795
Energy: 0.40590972419467153
Energy: 0.4419843367141242
Energy: 0.4073770493412166
Energy: 0.40759590040671984
Energy: 0.4419007300286383
Energy: 0.4058810966036747
Energy: 0.40619808935790575
Energy: 0.5334844853694476
Energy: 0.4076278890021173
Energy: 0.43961196432292926
Energy: 0.46289916531487424
Energy: 0.44076465569228834
Energy: 0.4402358678420497
Energy: 0.40018350664290653
Energy: 0.399999905981465
Energy: 0.4222215491987315
Energy: 0.4091697122163854
Energy: 0.40967396604673684
Energy: 0.40321361057481114
Energy: 0.41781926762997235
Energy: 0.4061896354079117
Energy: 0.4061575152477048
Energy: 0.3979074776355293
Energy: 0.4062174965841515
Energy: 0.40604309499732955
Energy: 0.4176612199397971
Energy: 0.40557500214129055
Energy: 0.412623694318628
Energy: 0.3993678427453868
Energy: 0.44022100890428295
Energy: 0.41264735531347174
Energy: 0.4009654710826655
Energy: 0.40568643695469214
Energy: 0.41235375325317464
Energy: 0.4095112855607036
Energy: 0.4058936410480176
Energy: 0.4066903928199381
Energy: 0.40100550087146186
Energy: 0.4171184575584218
Energy: 0.41385620428573594
Energy: 0.4010142473666482
Energy: 0.41025148639185444
Energy: 0.4042480352937032
Energy: 0.4008101190061009
Energy: 0.4063013773694324
Energy: 0.40070283613317675
Energy: 0.4001678787512203
Energy: 0.41409388149004966
Energy: 0.4000202602747085
Energy: 0.4030677046422773
Energy: 0.40272116251745677
Energy: 0.402567361994995
Energy: 0.4030953291305238
Energy: 0.40627886362541704
Energy: 0.40259691538595604
Energy: 0.402146348925187
Energy: 0.4094479182788596
Energy: 0.39999103709471906
Energy: 0.41650907545068155
Energy: 0.4005111723649582
Energy: 0.39988115254035844
Energy: 0.4089866130515802
Energy: 0.4005323849127995
Energy: 0.4006830642290949
Energy: 0.409712229676529
Energy: 0.4005280222312292
Energy: 0.40609505032444854
Energy: 0.40839291526805555
Energy: 0.40107918011578986
Energy: 0.4010038918159011
Energy: 0.40899497080110375
Energy: 0.40094488371408754
Energy: 0.40577581153525677
Energy: 0.4017831762616973
Energy: 0.4006877907339796
Energy: 0.42293477093757365
Energy: 0.4156326105727531
Energy: 0.3996912188054065
Energy: 0.40010892538376924
Energy: 0.4664857489582468
Energy: 0.4133280334343626
Energy: 0.41323686991528547
Energy: 0.4665591295970432
Energy: 0.39852567514873144
Energy: 0.4141543618301267
Energy: 0.4787935404047685
Energy: 0.4005832654296
Energy: 0.4006940178597839
Energy: 0.44243851569407316
Energy: 0.40047100490007126
Energy: 0.4007611438429606
Energy: 0.46595693371792685
Energy: 0.40213333895818754
Energy: 0.40209532507288637
Energy: 0.42033136672509624
Energy: 0.40754593383708465
Energy: 0.4019569763148546
Energy: 0.44394115211049456
Energy: 0.4002391660415292
Energy: 0.4000101663630172
Energy: 0.40114617644402134
Energy: 0.4003157713710136
Energy: 0.4001819385707126
Energy: 0.44678636968737967
Energy: 0.4010146119161805
Energy: 0.4065563128139129
Energy: 0.40550735556882606
Energy: 0.400689489162538
Energy: 0.40645379694827893
Energy: 0.4444952933168152
Energy: 0.40654508369840786
Energy: 0.40632993680425517
Energy: 0.40576880880914507
Energy: 0.4103419118908147
Energy: 0.40684807876592227
Energy: 0.4460345196845934
Energy: 0.4027185432895013
Energy: 0.40635074111079583
Energy: 0.4076685564804142
Energy: 0.41029910482431925
Energy: 0.4064426083360495
Energy: 0.4644659099510812
Energy: 0.4054386053529786
Energy: 0.4054257523715602
Energy: 0.4645493068069695
Energy: 0.3999093544492756
Energy: 0.4054017716791648
Energy: 0.40626126973558413
Energy: 0.410155282692296
Energy: 0.4250238436062099
Energy: 0.40599619758521716
Energy: 0.40323843061039577
Energy: 0.40696738534168897
Energy: 0.40005827710336456
Energy: 0.4705434197428903
Energy: 0.4637664076879997
Energy: 0.414349379829814
Energy: 0.48959080758150564
Energy: 0.4621097976629263

minimum gb energy = 0.39715465409241935 eV
minimum distance =  2.72441092103186 Angstroms
sigma value = 57


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

Energy: 0.5522118378570329
Energy: 0.4628362510801083
Energy: 0.42586626916857717
Energy: 0.39731707294468616
Energy: 0.4736683829094806
Energy: 0.46298272714018784
Energy: 0.41938818402807315
Energy: 0.425609073786537
Energy: 0.42581740727546796
Energy: 0.40782187511638096
Energy: 0.4253764039194575
Energy: 0.4306421966949562
Energy: 0.4974899625769282
Energy: 0.403769604505106
Energy: 0.4037806899478042
Energy: 0.40969460570885186
Energy: 0.4037215120550847
Energy: 0.4039289209408011
Energy: 0.4633538594901301
Energy: 0.4033707575954857
Energy: 0.4036057161989973
Energy: 0.4648415971573514
Energy: 0.4037525688865231
Energy: 0.4026282260167346
Energy: 0.4640673315493792
Energy: 0.45417158010238085
Energy: 0.46525745088266485
Energy: 0.46597297647306185
Energy: 0.4623128510385824
Energy: 0.4651838651457756
Energy: 0.4237471633872793
Energy: 0.4456282776296973
Energy: 0.4583988284081088
Energy: 0.4670002845408601
Energy: 0.4532572427088633
Energy: 0.45791402439902523
Energy: 0.48164038890363264
Energy: 0.46019157656571064
Energy: 0.4606867220323185
Energy: 0.44658676670353237
Energy: 0.4595889668545652
Energy: 0.45557821398284215
Energy: 0.43263073318289713
Energy: 0.46792686179257387
Energy: 0.49422430940497386
Energy: 0.42750168591419146
Energy: 0.4679999081859736
Energy: 0.4695854265545462
Energy: 0.46915421644769467
Energy: 0.4659440899069392
Energy: 0.46705693978348733
Energy: 0.46957774635954946
Energy: 0.4654472635782576
Energy: 0.47338722954548845
Energy: 0.4705761356635831
Energy: 0.4317818553565121
Energy: 0.4318598919994
Energy: 0.47043308547395085
Energy: 0.4316347163196041
Energy: 0.4318441551520295
Energy: 0.5230808222836477
Energy: 0.4271931613749963
Energy: 0.44732567620626995
Energy: 0.4766846529563464
Energy: 0.4317132922800949
Energy: 0.46861227401570743
Energy: 0.3763978655572792
Energy: 0.46036263623622864
Energy: 0.46017160465951656
Energy: 0.37754543018048103
Energy: 0.46018375383595855
Energy: 0.43126136513174473
Energy: 0.3765538447789674
Energy: 0.4602429276492706
Energy: 0.43031839274333544
Energy: 0.39717271420225114
Energy: 0.4599916328555014
Energy: 0.4304614221683693
Energy: 0.5219116589675755
Energy: 0.45992923327066865
Energy: 0.4505185279462735
Energy: 0.4735633635425623
Energy: 0.48453828488134093
Energy: 0.4472456298176515
Energy: 0.4699467678441831
Energy: 0.40547298449457836
Energy: 0.40642369654469307
Energy: 0.46969706088891494
Energy: 0.405400349298965
Energy: 0.4133096342564618
Energy: 0.46371629142223647
Energy: 0.4530198969027739
Energy: 0.4648038838129042
Energy: 0.46448613229369035
Energy: 0.4526820937437714
Energy: 0.46429268782132915
Energy: 0.48873091834741167
Energy: 0.4518919546145825
Energy: 0.4520233431031029
Energy: 0.46970619952333925
Energy: 0.4518004656265147
Energy: 0.4607304807614407
Energy: 0.486633075799754
Energy: 0.45413960878710086
Energy: 0.4458916074597952
Energy: 0.4471229343828837
Energy: 0.460823711057456
Energy: 0.4461348713556633
Energy: 0.4840332878041362
Energy: 0.46042615161669287
Energy: 0.4606838700228007
Energy: 0.45849723214317517
Energy: 0.4597093654121119
Energy: 0.46166195785340375
Energy: 0.4714201440731565
Energy: 0.46817461235733926
Energy: 0.4819397196784339
Energy: 0.4654031645380938
Energy: 0.4685348504403313
Energy: 0.48066799463544696
Energy: 0.47105936730265247
Energy: 0.4256120715481697
Energy: 0.46545056067293666
Energy: 0.47212769727291143
Energy: 0.46993097103180287
Energy: 0.4107101211583885
Energy: 0.46798020341241836
Energy: 0.4334051456803638
Energy: 0.434579404224424
Energy: 0.4091572348922001
Energy: 0.4329441150286049
Energy: 0.4245952254738091
Energy: 0.5408851563492836
Energy: 0.4256728327033461
Energy: 0.4268044972806054
Energy: 0.4069499227748699
Energy: 0.42550791708859176
Energy: 0.46435206847734145
Energy: 0.4177055304777922
Energy: 0.4253392970254172
Energy: 0.4301038052567426
Energy: 0.3930925983067243
Energy: 0.4252250782200875
Energy: 0.4665036337837835

minimum gb energy = 0.3763978655572792 eV
minimum distance =  2.72991251373787 Angstroms
sigma value = 17


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

Energy: 0.3750706819898225
Energy: 0.46364339554832135
Energy: 0.46342622569103953
Energy: 0.3979528344693362
Energy: 0.4216278677820835
Energy: 0.3976606405130168
Energy: 0.39855540446909815
Energy: 0.4518602382514822
Energy: 0.4523235831600389
Energy: 0.4531010199660356
Energy: 0.4527731422975903
Energy: 0.4203913988069873
Energy: 0.41030365780502576
Energy: 0.398373274855014
Energy: 0.39830474446137426
Energy: 0.4379580846578331
Energy: 0.3983249821269871
Energy: 0.39824059733148715
Energy: 0.4390272780161268
Energy: 0.3979078670910927
Energy: 0.39786868118692903
Energy: 0.43887407781468446
Energy: 0.392730474199059
Energy: 0.42193295552855486
Energy: 0.39091808832635627
Energy: 0.3972198309755103
Energy: 0.39722738270193536
Energy: 0.3906037343051824
Energy: 0.39716319169324177
Energy: 0.3962518578247227
Energy: 0.4093541072392983
Energy: 0.38952068119092875
Energy: 0.39772145305262585
Energy: 0.38697378675024985
Energy: 0.39030538019764144
Energy: 0.3882557318062457
Energy: 0.3853456471993184
Energy: 0.38454492671544105
Energy: 0.38475991945524424
Energy: 0.38556089023554824
Energy: 0.387669412779511
Energy: 0.3860265785286745
Energy: 0.39199181056524174
Energy: 0.38768743934115124
Energy: 0.3878321979869066
Energy: 0.3873720629481312
Energy: 0.3871434854688487
Energy: 0.3847185919799977
Energy: 0.38653396612413443
Energy: 0.3870017066915051
Energy: 0.3848303009777184
Energy: 0.3872472005591712
Energy: 0.3983668948174699
Energy: 0.38481063391326414
Energy: 0.3898114162982572
Energy: 0.3997032869803926
Energy: 0.397874346169377
Energy: 0.38944336602840335
Energy: 0.3998995098809767
Energy: 0.40040716085752875
Energy: 0.4615228126961465
Energy: 0.3980005819741239
Energy: 0.39658131503036803
Energy: 0.39709968042847577
Energy: 0.39051269002053973
Energy: 0.3965262192316405
Energy: 0.390507219597607
Energy: 0.45210510868410464
Energy: 0.45224704837106994
Energy: 0.3901900130715305
Energy: 0.4520726375834115
Energy: 0.41918812661533184
Energy: 0.3901671630630579
Energy: 0.4387508850480788
Energy: 0.43807223857273037
Energy: 0.3857991454540381
Energy: 0.43867606218838284
Energy: 0.4394989816781024
Energy: 0.45584758726767816
Energy: 0.45300659743754135
Energy: 0.3901873189173195
Energy: 0.4530514261437105
Energy: 0.4529122803363576
Energy: 0.41643564227397717
Energy: 0.4509253798717582
Energy: 0.4330810315255971
Energy: 0.4402336841676447
Energy: 0.45075718936559944
Energy: 0.4329932391532952
Energy: 0.4518716482070713
Energy: 0.4102091131677607
Energy: 0.4638648429392299
Energy: 0.4170749861710442
Energy: 0.45294278846042335
Energy: 0.46375805280704757
Energy: 0.4518154581198307
Energy: 0.3703088052975754
Energy: 0.43845543089241673
Energy: 0.4635369031834413
Energy: 0.3755621946001249
Energy: 0.43875024288428943
Energy: 0.4638174079422353

minimum gb energy = 0.3703088052975754 eV
minimum distance =  2.72672931711601 Angstroms
sigma value = 17


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

Energy: 0.3644675602790124
Energy: 0.4814787428712385
Energy: 0.4207756166115994
Energy: 0.394238681840653
Energy: 0.6186133879413194
Energy: 0.41985808836054717
Energy: 0.4060198231408835
Energy: 0.4595350090202681
Energy: 0.38106997335013076
Energy: 0.4561395122755685
Energy: 0.4576087943020542
Energy: 0.41312691298487086
Energy: 0.5322265358505444
Energy: 0.3539904119019827
Energy: 0.3953800139521673
Energy: 0.4606812165205766
Energy: 0.3535233031711798
Energy: 0.40712072141001454
Energy: 0.45802008067922195
Energy: 0.4063433619517509
Energy: 0.40662280890961666
Energy: 0.4588945757091661
Energy: 0.36090494000913803
Energy: 0.40604257335467503
Energy: 0.3906342452944159
Energy: 0.38553835272885606
Energy: 0.38342991578956714
Energy: 0.3911547143109831
Energy: 0.3859427922130033
Energy: 0.37934603803552486
Energy: 0.34885576264677276
Energy: 0.38496809964848927
Energy: 0.3554404065156723
Energy: 0.3549848338763758
Energy: 0.3849991084863631
Energy: 0.35562222896563334
Energy: 0.35522574473772545
Energy: 0.38893982052229065
Energy: 0.3840700638283675
Energy: 0.3691440296009625
Energy: 0.386663698437143
Energy: 0.37195822101109427
Energy: 0.35604747572663253
Energy: 0.35729453800871397
Energy: 0.3589236382461131
Energy: 0.3670481156679877
Energy: 0.3570744436378167
Energy: 0.35935966821686993
Energy: 0.35572821586728015
Energy: 0.3625431197815472
Energy: 0.3559458024754114
Energy: 0.35661425118087997
Energy: 0.3594182425568969
Energy: 0.3547019770406144
Energy: 0.3552132002295615
Energy: 0.3580864376200876
Energy: 0.3581756771565711
Energy: 0.355263932950055
Energy: 0.3578203341248901
Energy: 0.3582772291311259
Energy: 0.3841300781220236
Energy: 0.35562616688523535
Energy: 0.35777348665455844
Energy: 0.35722402377243345
Energy: 0.35521847066250994
Energy: 0.35770425662722466
Energy: 0.35716480559663033
Energy: 0.3548441359665829
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Energy: 0.3586464037908488
Energy: 0.36252844732284134
Energy: 0.37067330843118557
Energy: 0.3590728455710455
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Energy: 0.36358702385331654
Energy: 0.35936252130435103
Energy: 0.38445821689268567
Energy: 0.364962924839248
Energy: 0.3614605500398328
Energy: 0.38523171550791935
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Energy: 0.3840619123101401
Energy: 0.38459574253765255
Energy: 0.36185759556940655
Energy: 0.3664403955624421
Energy: 0.384508842993444
Energy: 0.36227196191850375
Energy: 0.383044373772002
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Energy: 0.39900946610730115
Energy: 0.38920118746388194
Energy: 0.38507515030265094
Energy: 0.39103626665539315
Energy: 0.3898688486519241
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Energy: 0.45682242524479627
Energy: 0.35635258166897665
Energy: 0.4608497862234347
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Energy: 0.355481288336832
Energy: 0.4559213684864374
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Energy: 0.35672928128027115
Energy: 0.45967436913139637
Energy: 0.38963331942207724
Energy: 0.5111905231241368
Energy: 0.4567564122247441
Energy: 0.421235204092581
Energy: 0.45694722427548823
Energy: 0.3931606084428074
Energy: 0.389640339995715
Energy: 0.38335869808043294
Energy: 0.38758122426486613
Energy: 0.39535917331352843
Energy: 0.425150267301708
Energy: 0.3948845046795626
Energy: 0.4226170325017603
Energy: 0.5351884067435564
Energy: 0.4564506758364324
Energy: 0.3808520784017594
Energy: 0.45733586866686216
Energy: 0.45688048791396957
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Energy: 0.3615432424546557
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Energy: 0.3577822478920332
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Energy: 0.40664946968377985
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Energy: 0.4384436784502748
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Energy: 0.4567559372913901
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Energy: 0.4558585493693995
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Energy: 0.4564554785699643
Energy: 0.37393782703153
Energy: 0.4073010707641553
Energy: 0.39180411217923833
Energy: 0.3859425390804762
Energy: 0.38936477669728353
Energy: 0.39169168745511557
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Energy: 0.4211012326668144
Energy: 0.3483091632865108
Energy: 0.39376342586750507
Energy: 0.3942071042473001
Energy: 0.36555872082641133
Energy: 0.3941194115553756
Energy: 0.3543484922225442
Energy: 0.3520171744731078
Energy: 0.3888883360960272
Energy: 0.38371346867513256
Energy: 0.35081310300698165
Energy: 0.38604705511305254
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Energy: 0.35578378355057405
Energy: 0.36080733478922594
Energy: 0.3604571499159139
Energy: 0.36279288175771407
Energy: 0.3622802455898795
Energy: 0.36314039756446354
Energy: 0.3547843317214612
Energy: 0.35713708145530787
Energy: 0.3586081585958891
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Energy: 0.35680735257531654
Energy: 0.3616139961661237
Energy: 0.3587564220657031
Energy: 0.3559237057322613
Energy: 0.35681770503246113
Energy: 0.3594315464927624
Energy: 0.35560972995791107
Energy: 0.3568340948718606
Energy: 0.3663686905898379
Energy: 0.356120280872051
Energy: 0.35615068363408875
Energy: 0.35658967544976505
Energy: 0.3561956107249402
Energy: 0.35618496707409725
Energy: 0.36098954735667005
Energy: 0.3592601106094271
Energy: 0.3546012409327154
Energy: 0.36175391861623696
Energy: 0.35620128646118443
Energy: 0.3545776444280371
Energy: 0.35623183194306396
Energy: 0.3661720203544801
Energy: 0.3608687735321002
Energy: 0.3602753064597597
Energy: 0.3640557485129353
Energy: 0.36138329852974105
Energy: 0.3890332871031975
Energy: 0.3627801024116606
Energy: 0.3606962007839532
Energy: 0.38902490080245516
Energy: 0.36244106538875276
Energy: 0.36202499278149675
Energy: 0.3898059038151798
Energy: 0.3626767609313179
Energy: 0.39001312224260676
Energy: 0.3902104564226449
Energy: 0.36234922014282483
Energy: 0.3846252493707757
Energy: 0.49757529182267096
Energy: 0.38062578035918554
Energy: 0.3832939688420497
Energy: 0.3872070646403206
Energy: 0.3581756487498138
Energy: 0.3907786585603553
Energy: 0.3596808494757381
Energy: 0.45922846063272665
Energy: 0.39122185692658706
Energy: 0.3913620454180337
Energy: 0.45739668374836273
Energy: 0.38994758430505605
Energy: 0.35542834676221075
Energy: 0.4220215660708936
Energy: 0.3949673619581683
Energy: 0.37493534472560347
Energy: 0.44880312913226816
Energy: 0.3951573009283962
Energy: 0.4478354547890709
Energy: 0.46126133925754254
Energy: 0.4562206621687548
Energy: 0.3914838773009806
Energy: 0.45855391138949847
Energy: 0.41977916839849394
Energy: 0.5128535935519447
Energy: 0.3914588123760385
Energy: 0.4255122654159916
Energy: 0.456657492665642
Energy: 0.37667004425067624
Energy: 0.4444848060077844
Energy: 0.5325595153074821
Energy: 0.4239224528833581
Energy: 0.38229729347632174
Energy: 0.45741173047969974
Energy: 0.3905538920618357
Energy: 0.4562799583961108
Energy: 0.36440905344331015
Energy: 0.4558232246712142
Energy: 0.4499620616847344
Energy: 0.36446079064169157
Energy: 0.45817114633900147
Energy: 0.4383837563860025

minimum gb energy = 0.3483091632865108 eV
minimum distance =  2.73753597661009 Angstroms
sigma value = 57


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

Energy: 0.3349455276240424
Energy: 0.43209587739465455
Energy: 0.403130430576318
Energy: 0.34937712856209424
Energy: 0.5726374516706504
Energy: 0.40420880751704724
Energy: 0.4895285267293401
Energy: 0.3786869534493379
Energy: 0.36258232427919884
Energy: 0.45280261769589863
Energy: 0.4481407001818067
Energy: 0.36365185421551
Energy: 0.505485428283195
Energy: 0.3493812451869258
Energy: 0.3492487670446116
Energy: 0.45167564380493147
Energy: 0.34785268526595126
Energy: 0.3928652351228816
Energy: 0.4485006835299757
Energy: 0.3487817289765228
Energy: 0.389543096581862
Energy: 0.4490159483106394
Energy: 0.34034722548805374
Energy: 0.4031885644126515
Energy: 0.3749955497026987
Energy: 0.3901854700119493
Energy: 0.36718323819156534
Energy: 0.3756626217882563
Energy: 0.3822276905095116
Energy: 0.3626440281299986
Energy: 0.3263153704440999
Energy: 0.38079187616618027
Energy: 0.3474819061417573
Energy: 0.3358993292403597
Energy: 0.3804331846101988
Energy: 0.3473897579746374
Energy: 0.41032940526146766
Energy: 0.3851807710258646
Energy: 0.38017567382798223
Energy: 0.34833076798983736
Energy: 0.3829568494769447
Energy: 0.3397640423923305
Energy: 0.4541336503221215
Energy: 0.3321927086028415
Energy: 0.33223022940297475
Energy: 0.35024348352495177
Energy: 0.3323446788616691
Energy: 0.3393603588053139
Energy: 0.3478572227041533
Energy: 0.35001831241819786
Energy: 0.34516075581726924
Energy: 0.34711207734830674
Energy: 0.3495475333661944
Energy: 0.3450686869596808
Energy: 0.3457301557455576
Energy: 0.33069762863751107
Energy: 0.3306371844886977
Energy: 0.34570640807829034
Energy: 0.3303372635309729
Energy: 0.33032664452441196
Energy: 0.3334867469164256
Energy: 0.32983144141991816
Energy: 0.32833216960473427
Energy: 0.3277460295186625
Energy: 0.3295895363336702
Energy: 0.32833420665228596
Energy: 0.3482095947581722
Energy: 0.3355923776433521
Energy: 0.32950021355770254
Energy: 0.3356802023216685
Energy: 0.33288069600135356
Energy: 0.3330323341629137
Energy: 0.33026845903647445
Energy: 0.32949639542861797
Energy: 0.3319973608295595
Energy: 0.32952249208828016
Energy: 0.335761327769454
Energy: 0.3318497927947573
Energy: 0.33095921913702553
Energy: 0.3289177470827438
Energy: 0.33018498655246176
Energy: 0.3320845953557281
Energy: 0.33998692002481873
Energy: 0.32936223407116433
Energy: 0.3298859351273982
Energy: 0.3335001503141265
Energy: 0.3324239608883876
Energy: 0.33011965703172774
Energy: 0.3330804087832988
Energy: 0.32805294508007404
Energy: 0.41196410253111615
Energy: 0.34546895647432535
Energy: 0.33196643256371516
Energy: 0.33154417707333383
Energy: 0.35213116672533634
Energy: 0.332040313026695
Energy: 0.33069988769564956
Energy: 0.35233979626570894
Energy: 0.3453415847860697
Energy: 0.3523467557689877
Energy: 0.35026595801841376
Energy: 0.3502032430431726
Energy: 0.3316892650778307
Energy: 0.345589497640773
Energy: 0.34178728611960046
Energy: 0.33249223675448136
Energy: 0.3500683523153938
Energy: 0.339084757200897
Energy: 0.3807948400899995
Energy: 0.34981290565560386
Energy: 0.36979374035053825
Energy: 0.3819252672946764
Energy: 0.347755676531278
Energy: 0.38014349187282365
Energy: 0.4352992809617711
Energy: 0.3487270463556113
Energy: 0.3490085984364703
Energy: 0.3823552594268463
Energy: 0.3485911990922519
Energy: 0.36297109857711246
Energy: 0.4853896551732313
Energy: 0.3792121487433917
Energy: 0.3516446996851758
Energy: 0.382015306039641
Energy: 0.38481456913320655
Energy: 0.36977015203128605
Energy: 0.3305051912753575
Energy: 0.42007112527166895
Energy: 0.3803211579821907
Energy: 0.3422634031486027
Energy: 0.453040492806596
Energy: 0.3699899811570861
Energy: 0.38675418789712046
Energy: 0.45119108843012173
Energy: 0.4378463413762366
Energy: 0.3471276305710974
Energy: 0.4489454080933977
Energy: 0.4090801695343922
Energy: 0.4789735673852205
Energy: 0.38061833518895655
Energy: 0.3600393818681443
Energy: 0.40762127850307595
Energy: 0.346960190162896
Energy: 0.36516704537330513
Energy: 0.512146021234738
Energy: 0.36804656652750434
Energy: 0.3759316522930322
Energy: 0.42240999956011294
Energy: 0.3676979869731224
Energy: 0.4125797138637166
Energy: 0.473232905830036
Energy: 0.40538254837271187
Energy: 0.40590183939131547
Energy: 0.45021633861662447
Energy: 0.449676577907722
Energy: 0.36179022230698166
Energy: 0.3342692634391544
Energy: 0.40513713087220354
Energy: 0.4044950647699431
Energy: 0.3528489522580129
Energy: 0.4379047330544752
Energy: 0.38512833094194976

minimum gb energy = 0.3263153704440999 eV
minimum distance =  2.74684751344322 Angstroms
sigma value = 43


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

Energy: 0.29234927235028824
Energy: 0.35826496044166567
Energy: 0.36509097966477727
Energy: 0.3052822079798732
Energy: 0.4048098770258366
Energy: 0.33549986255590475
Energy: 0.42306794573863105
Energy: 0.3076342400532209
Energy: 0.304621316784255
Energy: 0.34420888661970356
Energy: 0.33446410860910747
Energy: 0.3018715384344466
Energy: 0.4462392110181002
Energy: 0.2938419106298474
Energy: 0.3027892209071953
Energy: 0.35940290513423745
Energy: 0.29370401116663447
Energy: 0.2960877096813332
Energy: 0.3870169896676988
Energy: 0.2925091753235167
Energy: 0.31806444867577904
Energy: 0.33564649271919395
Energy: 0.32224377681763877
Energy: 0.34759120577365776
Energy: 0.3454429763301507
Energy: 0.3079073048594708
Energy: 0.30242970136597325
Energy: 0.32897565833910886
Energy: 0.3481173001624391
Energy: 0.30215583203837354
Energy: 0.2817443879600942
Energy: 0.34643945216582606
Energy: 0.29306364736705076
Energy: 0.283935461374357
Energy: 0.3462386417083439
Energy: 0.297757985575451
Energy: 0.38829707593566964
Energy: 0.3462850060679156
Energy: 0.3462607584859343
Energy: 0.29107862444285604
Energy: 0.34672350003062313
Energy: 0.2871101227593502
Energy: 0.40417786780607434
Energy: 0.27893115338222585
Energy: 0.2824373324851098
Energy: 0.28844584320121053
Energy: 0.27921162712004466
Energy: 0.28211599143037513
Energy: 0.31667303563606675
Energy: 0.2840245690497124
Energy: 0.3151012928271535
Energy: 0.317627217290618
Energy: 0.2884970212439678
Energy: 0.3149589418543421
Energy: 0.3310985243929675
Energy: 0.27625950551784767
Energy: 0.2764040234714238
Energy: 0.3157917725014667
Energy: 0.2765917554032959
Energy: 0.27769193352213606
Energy: 0.27883788315517805
Energy: 0.2961705108388025
Energy: 0.2764515159282583
Energy: 0.27309362401287995
Energy: 0.2960950642601124
Energy: 0.27408520679059123
Energy: 0.31789852492208887
Energy: 0.2960749463241966
Energy: 0.29613389585711036
Energy: 0.27589942939735984
Energy: 0.29617329707998197
Energy: 0.2751838302800388
Energy: 0.3836623916761922
Energy: 0.29165694811227283
Energy: 0.29368399308952825
Energy: 0.30915650275565054
Energy: 0.26994922218483386
Energy: 0.2720721269351049
Energy: 0.28512784908291333
Energy: 0.27121202332564354
Energy: 0.2848589910401079
Energy: 0.28615013847372905
Energy: 0.2802757418201033
Energy: 0.28506997432568654
Energy: 0.2851321650405204
Energy: 0.27104195239105633
Energy: 0.2713112220587299
Energy: 0.2851891125211981
Energy: 0.2699521708037634
Energy: 0.27163853261525256
Energy: 0.28173833708330936
Energy: 0.28002146506363407
Energy: 0.2802296658446694
Energy: 0.26950288245068604
Energy: 0.27986567893707476
Energy: 0.2692745293255308
Energy: 0.28664447722261055
Energy: 0.279900106459993
Energy: 0.2801395949217149
Energy: 0.28399364235058405
Energy: 0.2798267484591303
Energy: 0.2714705206885928
Energy: 0.3046436617618141
Energy: 0.27211255533945305
Energy: 0.2719508115812951
Energy: 0.2799335630713145
Energy: 0.27085527940332926
Energy: 0.2719908168185199
Energy: 0.27974031348488637
Energy: 0.28048983275878825
Energy: 0.28011790458202807
Energy: 0.2806392593730398
Energy: 0.32511655130116385
Energy: 0.2799383104386717
Energy: 0.2801819536646816
Energy: 0.27492358763839536
Energy: 0.27477224405942013
Energy: 0.2806741985873814
Energy: 0.27476569644693055
Energy: 0.2748766326839523
Energy: 0.297893463627473
Energy: 0.2850372937887
Energy: 0.2850825292429853
Energy: 0.2734703472494319
Energy: 0.28503624084074747
Energy: 0.2747139549697794
Energy: 0.28255893667504506
Energy: 0.2852068715808055
Energy: 0.28523996620981273
Energy: 0.2720271127955842
Energy: 0.2851056510463506
Energy: 0.2708197771623381
Energy: 0.3164174274875507
Energy: 0.2709649372225865
Energy: 0.2711124535114343
Energy: 0.29665962240464344
Energy: 0.2713359498233463
Energy: 0.27283292605335846
Energy: 0.29630190566427594
Energy: 0.2738064821019114
Energy: 0.2958842466585647
Energy: 0.29732359769065897
Energy: 0.2814688116805405
Energy: 0.29602893793138724
Energy: 0.39294270734326103
Energy: 0.29375575327968023
Energy: 0.29845207985924077
Energy: 0.3193115354689566
Energy: 0.2745606836836869
Energy: 0.2857747509817152
Energy: 0.36344577538458783
Energy: 0.31519640799704807
Energy: 0.3152738813048096
Energy: 0.2772034360048186
Energy: 0.3152600746288836
Energy: 0.276968302500631
Energy: 0.28048628057852165
Energy: 0.3151951093664848
Energy: 0.28824124008799806
Energy: 0.27860148689486197
Energy: 0.31511508117777587
Energy: 0.28074234591074543
Energy: 0.31345148379120413
Energy: 0.2890191908650663
Energy: 0.28997582386698006
Energy: 0.32551983390295286
Energy: 0.30856164225488536
Energy: 0.28658525133734297
Energy: 0.3478367461444068
Energy: 0.2934302164346495
Energy: 0.34615605318383175
Energy: 0.3487903098744331
Energy: 0.29625703108937634
Energy: 0.3461459750042792
Energy: 0.422290272893368
Energy: 0.28642940432149344
Energy: 0.2924948356576595
Energy: 0.3351876758590266
Energy: 0.2862772645761534
Energy: 0.29230251259338963
Energy: 0.4162637496129404
Energy: 0.3343602386648186
Energy: 0.33238056662268606
Energy: 0.3127038656095586
Energy: 0.3342174545545652
Energy: 0.33126420715107474
Energy: 0.28693297048759286
Energy: 0.36535138910603776
Energy: 0.3266748967814306
Energy: 0.2925993931487485
Energy: 0.36995339428991536
Energy: 0.309302671732307
Energy: 0.3866691213848123
Energy: 0.33816850482142535
Energy: 0.334068982914961
Energy: 0.3469649801797728
Energy: 0.3380707760970541
Energy: 0.3340386005656216
Energy: 0.420640194665632
Energy: 0.31621882619950736
Energy: 0.3285853717617629
Energy: 0.33550331369294734
Energy: 0.34401422889290817
Energy: 0.3687593864145665
Energy: 0.4549362292068415
Energy: 0.30319145094180217
Energy: 0.3158106741748251
Energy: 0.3628634377174201
Energy: 0.30299199739697547
Energy: 0.3395861472421951
Energy: 0.4072977668035698
Energy: 0.34138405696434554
Energy: 0.3341238533443566
Energy: 0.3359525432842246
Energy: 0.3446569695520026
Energy: 0.3040726922083065

minimum gb energy = 0.2692745293255308 eV
minimum distance =  2.75433153411819 Angstroms
sigma value = 81


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

Energy: 0.10580857656819229
Energy: 0.12704813919019184
Energy: 0.00882179765080672
Energy: 0.009723908277021739
Energy: 0.2080447986157034
Energy: 0.10595903110352595
Energy: 0.12757649943472538
Energy: 0.1982240255692779
Energy: 0.19838498611950525
Energy: 0.23225572200329464
Energy: 0.2013958850610922
Energy: 0.19906214605247533
Energy: 0.21713922848272707
Energy: 0.008747037776087051
Energy: 0.008816605557690297
Energy: 0.2303379591188769
Energy: 0.008679918876041902
Energy: 0.031139755272008886
Energy: 0.2085627006353708
Energy: 0.008774681383129947
Energy: 0.008987590520944295
Energy: 0.2091396215037805
Energy: 0.008790415070639788
Energy: 0.030222838525954622
Energy: 0.02996767038962732
Energy: 0.22686494980026933
Energy: 0.22673037864307574
Energy: 0.03045155299980201
Energy: 0.2268618223878663
Energy: 0.22690070671392748
Energy: 0.009208958645294503
Energy: 0.20496564508556162
Energy: 0.008797829663190163
Energy: 0.009878395929894947
Energy: 0.20500648111473693
Energy: 0.008701724652002642
Energy: 0.22763873732073384
Energy: 0.1989803804728579
Energy: 0.20489297998069397
Energy: 0.2292163755814224
Energy: 0.20481636912920015
Energy: 0.2052938207206433
Energy: 0.22805569264718675
Energy: 0.00866169135074414
Energy: 0.0086910933996562
Energy: 0.22998830135495052
Energy: 0.008665237419971673
Energy: 0.009077175153961526
Energy: 0.19592772631458383
Energy: 0.008843563103344597
Energy: 0.030496342468722452
Energy: 0.21020201103518413
Energy: 0.008699089562181387
Energy: 0.030975373247004924
Energy: 0.10643812124073336
Energy: 0.22043821080012652
Energy: 0.22063760238677257
Energy: 0.009189270299525442
Energy: 0.22028671479652126
Energy: 0.21795924911202966

minimum gb energy = 0.00866169135074414 eV
minimum distance =  2.84404423836986 Angstroms
sigma value = 3


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

Energy: 0.3554553793800758
Energy: 0.36597375439988467
Energy: 0.37830506799138897
Energy: 0.30322895050177334
Energy: 0.34609561678725326
Energy: 0.3065364003356501
Energy: 0.35010663782653134
Energy: 0.3312946898470227
Energy: 0.3311623315743713
Energy: 0.34564520136110055
Energy: 0.34941904852171
Energy: 0.33568201126862773
Energy: 0.3646077167292789
Energy: 0.29536846840137315
Energy: 0.29105990671693477
Energy: 0.350720317495587
Energy: 0.29461810403856303
Energy: 0.3430356593909019
Energy: 0.33342940958253087
Energy: 0.29516844788081376
Energy: 0.2912960453986643
Energy: 0.33106770564955185
Energy: 0.2941277151154757
Energy: 0.32251494295649824
Energy: 0.3014074029172265
Energy: 0.3320547419330219
Energy: 0.30435932936463017
Energy: 0.3012029295054613
Energy: 0.34949628346618444
Energy: 0.3339523394772265
Energy: 0.2763087103010582
Energy: 0.3168688524237839
Energy: 0.3244548899354905
Energy: 0.278151995734993
Energy: 0.3165214116334377
Energy: 0.29465133771743784
Energy: 0.34218634360979117
Energy: 0.3071866814703032
Energy: 0.3069877000433118
Energy: 0.34185335877096096
Energy: 0.31039700179250607
Energy: 0.34608971688094614
Energy: 0.3302502176445323
Energy: 0.2815896866610463
Energy: 0.3018272415109788
Energy: 0.33056221247245937
Energy: 0.264420263031264
Energy: 0.3032055628300532
Energy: 0.28388751491455094
Energy: 0.29515536723531216
Energy: 0.32073025587888976
Energy: 0.34689914372154396
Energy: 0.2810017780982
Energy: 0.3317283277444323
Energy: 0.2852165428324567
Energy: 0.3083586123217505
Energy: 0.3076818681503243
Energy: 0.28529384057361656
Energy: 0.3088026869379719
Energy: 0.3071040040932442
Energy: 0.2683649354878606
Energy: 0.3091318483685914
Energy: 0.308847534729191
Energy: 0.2698249040527144
Energy: 0.27188697633931436
Energy: 0.28257455710578455
Energy: 0.2877074054709505
Energy: 0.3423464013581605
Energy: 0.3414021443574264
Energy: 0.28769076850324127
Energy: 0.28091131568754735
Energy: 0.2846587148305387
Energy: 0.2959509091239562
Energy: 0.29117734573564724
Energy: 0.28658745551400316
Energy: 0.28677515952905763
Energy: 0.26014608405042705
Energy: 0.2920964464107344
Energy: 0.26384778275506987
Energy: 0.27064317202446925
Energy: 0.328367396030595
Energy: 0.2876590795479808
Energy: 0.2696790619577154
Energy: 0.32886210125320664
Energy: 0.28671386083534844
Energy: 0.2701214890882795
Energy: 0.26970729594709614
Energy: 0.26218855258658125
Energy: 0.2715062330082966
Energy: 0.26972664076265035
Energy: 0.26263588012219397
Energy: 0.2711284811420456
Energy: 0.31812256633496777
Energy: 0.264309145920087
Energy: 0.28745610611250233
Energy: 0.3188334073607691
Energy: 0.2643403759031039
Energy: 0.31915702664117296
Energy: 0.32029329674738777
Energy: 0.26397566411550916
Energy: 0.2716532487795913
Energy: 0.261604081732847
Energy: 0.2620313835962944
Energy: 0.3139794076917533
Energy: 0.31516347677094386
Energy: 0.26222252366870424
Energy: 0.2631668367628438
Energy: 0.26374459057527155
Energy: 0.2991209791358309
Energy: 0.2636448456890092
Energy: 0.31015990242288133
Energy: 0.26300825692672414
Energy: 0.2631543187314614
Energy: 0.3147955489219384
Energy: 0.3229974274729926
Energy: 0.26158432545680205
Energy: 0.26132549730888033
Energy: 0.28700125673296195
Energy: 0.2636871336090488
Energy: 0.26141121585450744
Energy: 0.3213857686476962
Energy: 0.3176840053066828
Energy: 0.31881614649907114
Energy: 0.28912066332592534
Energy: 0.31923256118254456
Energy: 0.3185019460591602
Energy: 0.27473007136771815
Energy: 0.3177267072755294
Energy: 0.2722250342948217
Energy: 0.27526421952332764
Energy: 0.3181179173545125
Energy: 0.2709810081112592
Energy: 0.26935865110450047
Energy: 0.33008172511715494
Energy: 0.3305149754708194
Energy: 0.2693443859263741
Energy: 0.2874318076760083
Energy: 0.3275617724402321
Energy: 0.2655736101709865
Energy: 0.2872765264805232
Energy: 0.2931547784284758
Energy: 0.2644079718110827
Energy: 0.28906327046240227
Energy: 0.27584712261325145
Energy: 0.27038604286576384
Energy: 0.2858667490058555
Energy: 0.2849637139342397
Energy: 0.2707731609855559
Energy: 0.2873262325486785
Energy: 0.28468568803288546
Energy: 0.2705861566698446
Energy: 0.2750609780202879
Energy: 0.29258300513824376
Energy: 0.27046999504567487
Energy: 0.29414106254915495
Energy: 0.3075463030810091
Energy: 0.3085709651028695
Energy: 0.2945759824313733
Energy: 0.29411169613954685
Energy: 0.3081756351156869
Energy: 0.27504482254287527
Energy: 0.30766947710374576
Energy: 0.29254026147808193
Energy: 0.3211024261449618
Energy: 0.3186966938845765
Energy: 0.29248298499691844
Energy: 0.3224511671567007
Energy: 0.31861205668057724
Energy: 0.271245991540081
Energy: 0.3313452686321833
Energy: 0.3176699083555477
Energy: 0.27213461240483033
Energy: 0.33086960716615305
Energy: 0.28924110325843166
Energy: 0.3111865111924418
Energy: 0.3216073407802555
Energy: 0.3306680455018311
Energy: 0.3069537272183954
Energy: 0.3567516206699229
Energy: 0.34438502206784516
Energy: 0.30415442446638424
Energy: 0.2884935933531591
Energy: 0.30891916999841007
Energy: 0.3024910511685028
Energy: 0.26763163629652087
Energy: 0.31065308575315176
Energy: 0.36387061628126355
Energy: 0.3028491884704239
Energy: 0.2954359598381505
Energy: 0.352919829570894
Energy: 0.28747070060581087
Energy: 0.3059670747740558
Energy: 0.30908940879851726
Energy: 0.3314835215361946
Energy: 0.3314271088245771
Energy: 0.30910146217839735
Energy: 0.3340057536289256
Energy: 0.31726629919382393

minimum gb energy = 0.26014608405042705 eV
minimum distance =  2.74260470634383 Angstroms
sigma value = 67


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

Energy: 0.3825762187929085
Energy: 0.42904848754216907
Energy: 0.42042144462985215
Energy: 0.34009623406119216
Energy: 0.4272919527502852
Energy: 0.4216281105611252
Energy: 0.4178690474632259
Energy: 0.3907399587182148
Energy: 0.40571815398368866
Energy: 0.38930643370713236
Energy: 0.4052372265001337
Energy: 0.35914251293440286
Energy: 0.4267484056994883
Energy: 0.3571281175723814
Energy: 0.3773388390039742
Energy: 0.42730208911856377
Energy: 0.354700810076828
Energy: 0.40468460026001773
Energy: 0.3933378149411529
Energy: 0.3909717205216674
Energy: 0.35618656753290034
Energy: 0.3938861401657176
Energy: 0.3730150758424338
Energy: 0.35644384977656873
Energy: 0.3881983427266669
Energy: 0.3926666503220115
Energy: 0.3757054452377933
Energy: 0.3883308367519401
Energy: 0.40636482415936265
Energy: 0.374288706805216
Energy: 0.3363642773405201
Energy: 0.3823478784772374
Energy: 0.39082538307774006
Energy: 0.35712034388567965
Energy: 0.3818130555718788
Energy: 0.390359603143877
Energy: 0.3915451581848748
Energy: 0.35938031781308477
Energy: 0.358368667672972
Energy: 0.39153702539244317
Energy: 0.3584081247830444
Energy: 0.3577315318952438
Energy: 0.3958127601470788
Energy: 0.3356048207656927
Energy: 0.3534668951456875
Energy: 0.39610048690756533
Energy: 0.3329550330709237
Energy: 0.39155223765877206
Energy: 0.3363953582417087
Energy: 0.3766735624216799
Energy: 0.37543846716293916
Energy: 0.3574468094111895
Energy: 0.35390677403679
Energy: 0.3746773439718672
Energy: 0.33248144206946445
Energy: 0.35915212024641796
Energy: 0.35405597555853563
Energy: 0.3328362912260676
Energy: 0.356634190038716
Energy: 0.3545817991301535
Energy: 0.3329110979532214
Energy: 0.35985057725109226
Energy: 0.35740475130831273
Energy: 0.33318031554125904
Energy: 0.3489648680829981
Energy: 0.3570925791610813
Energy: 0.33511737318095586
Energy: 0.40218510253824674
Energy: 0.4041711001367812
Energy: 0.3360053521410694
Energy: 0.37392041653456265
Energy: 0.332063840470024
Energy: 0.3357972255024966
Energy: 0.33693372313269926
Energy: 0.3739958194178902
Energy: 0.33633581989882616
Energy: 0.3337729349949739
Energy: 0.33199538130905537
Energy: 0.34912444527951764
Energy: 0.34282915372094347
Energy: 0.37267216589137886
Energy: 0.33307205676311574
Energy: 0.33228718843195726
Energy: 0.39892714022307457
Energy: 0.36898366889464
Energy: 0.335827311693966
Energy: 0.3315370478017224
Energy: 0.3680912374877696
Energy: 0.3329465533359841
Energy: 0.3317031024921122
Energy: 0.33355625890371615
Energy: 0.37373247651268565
Energy: 0.40473141515251493
Energy: 0.37390885208124786
Energy: 0.3323735474160145
Energy: 0.40303896342512585
Energy: 0.3579020019532418
Energy: 0.3301428440927492
Energy: 0.37058909400472567
Energy: 0.3586753472544406
Energy: 0.3271100829703853
Energy: 0.35576587713140384
Energy: 0.3597492816599507
Energy: 0.375466586715388
Energy: 0.37625840493575097
Energy: 0.3601630482131283
Energy: 0.3750975775336193
Energy: 0.35475769489347747
Energy: 0.3259310637741723
Energy: 0.3327491471391334
Energy: 0.37547537442773576
Energy: 0.3391315210624113
Energy: 0.37217275403231875
Energy: 0.3745882461164309
Energy: 0.35435428257642493
Energy: 0.39558213157608674
Energy: 0.3586048499846302
Energy: 0.35480187575622224
Energy: 0.39338324827605015
Energy: 0.3588648569585254
Energy: 0.3602556325439826
Energy: 0.3747012970228068
Energy: 0.337482800398996
Energy: 0.3602035188180494
Energy: 0.33918987307375426
Energy: 0.3374421384412528
Energy: 0.4265681347773901
Energy: 0.34144093368129197
Energy: 0.36687629965324403
Energy: 0.42638563978482297
Energy: 0.3391973645317
Energy: 0.37716949113541753
Energy: 0.42027019913164404
Energy: 0.3956213173767869
Energy: 0.3891106833409399
Energy: 0.4207816145128745
Energy: 0.3943631383039872
Energy: 0.35866497227921834

minimum gb energy = 0.3259310637741723 eV
minimum distance =  2.73255811600338 Angstroms
sigma value = 33


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

Energy: 0.45549599508492095
Energy: 0.502454351465409
Energy: 0.4413843845526975
Energy: 0.38852606964161623
Energy: 0.4181026971080505
Energy: 0.4619862765609572
Energy: 0.4511557964553494
Energy: 0.4225301157256883
Energy: 0.42368065073731964
Energy: 0.4211996464652561
Energy: 0.4232765475519937
Energy: 0.4208060749222587
Energy: 0.48893897545995424
Energy: 0.4180156393711973
Energy: 0.39738208969152655
Energy: 0.4893316442470391
Energy: 0.4200952710130798
Energy: 0.4202956076330526
Energy: 0.4225325353710409
Energy: 0.4186557458328399
Energy: 0.3979440583925154
Energy: 0.4233286246617892
Energy: 0.42835820609606107
Energy: 0.379372734425181
Energy: 0.421083662865068
Energy: 0.4219414124735783
Energy: 0.4238130341844077
Energy: 0.42083501428395087
Energy: 0.4219604328091254
Energy: 0.3810227202755461
Energy: 0.37349820180394583
Energy: 0.3748559686700735
Energy: 0.3745339039799038
Energy: 0.3762457670441013
Energy: 0.3748380464009658
Energy: 0.42029168654618554
Energy: 0.4207593407992581
Energy: 0.3753589640550094
Energy: 0.37606741300931745
Energy: 0.42087750292711973
Energy: 0.37500661778323674
Energy: 0.38152706253392266
Energy: 0.42479174669586023
Energy: 0.37439306033812425
Energy: 0.3982336755135187
Energy: 0.4253082287983049
Energy: 0.37671595293895555
Energy: 0.4224320137562086
Energy: 0.37454563555675774
Energy: 0.3751123781198334
Energy: 0.38156902474508053
Energy: 0.3811109756776771
Energy: 0.3747464318477051
Energy: 0.3809110475569496
Energy: 0.3751722068147072
Energy: 0.3785398132357665
Energy: 0.3742969643129741
Energy: 0.37619271623507744
Energy: 0.37596618898878675
Energy: 0.3746008248869458
Energy: 0.4001133350983446
Energy: 0.38363251692749323
Energy: 0.3749783731730889
Energy: 0.37658798685416883
Energy: 0.3749969689309602
Energy: 0.37492685739787374
Energy: 0.3742923965677469
Energy: 0.4068874968473291
Energy: 0.3745013396748449
Energy: 0.37432785536835894
Energy: 0.3858833616663071
Energy: 0.3745771629866641
Energy: 0.3742436471091878
Energy: 0.3810213740246305
Energy: 0.37458703608707766
Energy: 0.37442609155208045
Energy: 0.3808441020348041
Energy: 0.3746738818853736
Energy: 0.3620024057866492
Energy: 0.4004106315610577
Energy: 0.3805334572263716
Energy: 0.36370383517390636
Energy: 0.40222062389713087
Energy: 0.3861658465531511
Energy: 0.36157624486340084
Energy: 0.42032829290296003
Energy: 0.4218222960605891
Energy: 0.36170744707611513
Energy: 0.42295284189845556
Energy: 0.38037204648005407
Energy: 0.3813064098309875
Energy: 0.38633114750426845
Energy: 0.3928291323420615
Energy: 0.38051313097120876
Energy: 0.3860308357206396
Energy: 0.38078967282168047
Energy: 0.48915737100843126
Energy: 0.38564782247121915
Energy: 0.3863437956613865
Energy: 0.4892442082686197
Energy: 0.3879184170802077
Energy: 0.41129551614775506
Energy: 0.4724277610570668
Energy: 0.42066121228076997
Energy: 0.4210103976976592
Energy: 0.4199673015809991
Energy: 0.42056404093161426
Energy: 0.3763185287720344
Energy: 0.38492516026993295
Energy: 0.42424258414196403
Energy: 0.4682889737517516
Energy: 0.38799965281710996
Energy: 0.42668691673664544
Energy: 0.4099719554803882
Energy: 0.45086342788618927
Energy: 0.4218844992647609
Energy: 0.422855924514205
Energy: 0.45091819903148267
Energy: 0.42241833003680174
Energy: 0.42066704179609815
Energy: 0.4902458150266102
Energy: 0.4189618937167584
Energy: 0.3982629685662392
Energy: 0.48672880826769777
Energy: 0.4281059741156937
Energy: 0.41961440184785515
Energy: 0.4220029447182612
Energy: 0.41840360961711937
Energy: 0.397816182093979
Energy: 0.4225261139671532
Energy: 0.42026153684969353
Energy: 0.37967540087438795
Energy: 0.42094190254150965
Energy: 0.4225583270274761
Energy: 0.38084284394948326
Energy: 0.4206608510342335
Energy: 0.4228054306589674
Energy: 0.3809969107100708
Energy: 0.37418822564034143
Energy: 0.41755764937255685
Energy: 0.37447959228474903
Energy: 0.37477006037369265
Energy: 0.41875620861085766
Energy: 0.4289322564736536
Energy: 0.420498570495573
Energy: 0.3762123225453203
Energy: 0.37603754103461795
Energy: 0.42056055156138666
Energy: 0.37617449704982425
Energy: 0.40619784327634156
Energy: 0.423162142735171
Energy: 0.3744012143915051
Energy: 0.3980810169568806
Energy: 0.42398494642735884
Energy: 0.37652580588482487
Energy: 0.4220862744631774
Energy: 0.3750490901351522
Energy: 0.37458299523503813
Energy: 0.37543906331391425
Energy: 0.37623026682881566
Energy: 0.38618266879957364
Energy: 0.3812885044136645
Energy: 0.3745459419145185
Energy: 0.3742214848005698
Energy: 0.37426770149954897
Energy: 0.3746723251312513
Energy: 0.37679613191274886
Energy: 0.3745716735105233
Energy: 0.4009543610942308
Energy: 0.3744053146078327
Energy: 0.37559832894754397
Energy: 0.3779378999187148
Energy: 0.3745077885903736
Energy: 0.37487712616938795
Energy: 0.3743202184442329
Energy: 0.37569623989134576
Energy: 0.37477431366861436
Energy: 0.374383678366502
Energy: 0.4192533851705932
Energy: 0.3745545463466204
Energy: 0.3787613994041052
Energy: 0.4106327618944115
Energy: 0.37443115840115243
Energy: 0.37424972880923085
Energy: 0.3806667248361928
Energy: 0.374686902734555
Energy: 0.3622573113493609
Energy: 0.3798248901989878
Energy: 0.38031352537079277
Energy: 0.36312816389382446
Energy: 0.40052683556980007
Energy: 0.3866534852242516
Energy: 0.36166254242052
Energy: 0.42010195687525304
Energy: 0.42127861500924774
Energy: 0.3617817009294186
Energy: 0.42347861116577634
Energy: 0.39933359930926887
Energy: 0.3811623583245449
Energy: 0.39418143931254584
Energy: 0.37662294589978845
Energy: 0.381255783153051
Energy: 0.38574789093659373
Energy: 0.3809723940085314
Energy: 0.4878463266663431
Energy: 0.38566601900287395
Energy: 0.38608387349858314
Energy: 0.48826200530251257
Energy: 0.36479715881450253
Energy: 0.4114204063581153
Energy: 0.4720676837625179
Energy: 0.42034736688294183
Energy: 0.4208193959492262
Energy: 0.42208510673007926
Energy: 0.42038685743660836
Energy: 0.380568223863476
Energy: 0.3856215591171415
Energy: 0.42407018272120767
Energy: 0.38624233926757806
Energy: 0.3869567700592222
Energy: 0.4277636501945574
Energy: 0.4094450493580465

minimum gb energy = 0.36157624486340084 eV
minimum distance =  2.74249299631895 Angstroms
sigma value = 41


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

Energy: 0.6214465573110682
Energy: 0.5876535583730229
Energy: 0.5813938421777493
Energy: 0.4698847660890418
Energy: 0.6798815529580671
Energy: 0.48807174958180594
Energy: 0.46499753119540016
Energy: 0.43657697964077374
Energy: 0.43629527623171926
Energy: 0.4473918493217094
Energy: 0.43776519592650065
Energy: 0.43626068715052635
Energy: 0.49837175689867175
Energy: 0.4387445435818579
Energy: 0.48540301316637113
Energy: 0.49770357739690513
Energy: 0.43606882576444367
Energy: 0.4366876824068338
Energy: 0.4472415691487517
Energy: 0.4353886422914456
Energy: 0.414741698937953
Energy: 0.4468561807841332
Energy: 0.43712305672817003
Energy: 0.4373482088462097
Energy: 0.43557374579557473
Energy: 0.43787306018600675
Energy: 0.4381749983746726
Energy: 0.4356758406301729
Energy: 0.437307732560515
Energy: 0.4247851165989674
Energy: 0.46532504052492746
Energy: 0.4667352170205829
Energy: 0.46727949998691504
Energy: 0.4161008681352953
Energy: 0.4663373319821618
Energy: 0.4357953521455677
Energy: 0.4354700235210393
Energy: 0.4247625013667695
Energy: 0.4241391676913614
Energy: 0.4355065863623908
Energy: 0.4252451192678994
Energy: 0.43647998712060576
Energy: 0.4372686834283471
Energy: 0.41522958615036193
Energy: 0.4356085167674653
Energy: 0.4381618977620957
Energy: 0.416689541179574
Energy: 0.43592700868776363
Energy: 0.5100334753337273
Energy: 0.43704033053594155
Energy: 0.41466080334181676
Energy: 0.4045290696451843
Energy: 0.435366429405396
Energy: 0.41447372034335145
Energy: 0.46971541239096654
Energy: 0.4399387450201052
Energy: 0.43583835082639777
Energy: 0.4179949775713387
Energy: 0.4367122470020833
Energy: 0.43585051369352285
Energy: 0.4449719666791778
Energy: 0.43615580709527085
Energy: 0.4153352240243431
Energy: 0.4149631189321704
Energy: 0.4038444870507198
Energy: 0.4155844435696681
Energy: 0.4979939188007315
Energy: 0.4450189776381556
Energy: 0.46604496727698447
Energy: 0.49802432797014956
Energy: 0.40362786618689267
Energy: 0.4723053967297659
Energy: 0.5032921604587861
Energy: 0.4358407114231901
Energy: 0.44802276023511556
Energy: 0.44743101651954986
Energy: 0.43591250235934964
Energy: 0.4359768379878115
Energy: 0.40332343646438323
Energy: 0.4468569977040075
Energy: 0.40386890276071247
Energy: 0.40701370135544773
Energy: 0.4466442865891348
Energy: 0.4041435780013106

minimum gb energy = 0.40332343646438323 eV
minimum distance =  2.76134263176474 Angstroms
sigma value = 11


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

Energy: 0.45819306499597473
Energy: 0.5014863580569233
Energy: 0.49743702266149753
Energy: 0.521138524942152
Energy: 0.5289896882445267
Energy: 0.5676963596357472
Energy: 0.5466162393139142
Energy: 0.4682497520534019
Energy: 0.46845140742684027
Energy: 0.5261263539491758
Energy: 0.46822359413060144
Energy: 0.46900970829128824
Energy: 0.5152937112254241
Energy: 0.48495840681323155
Energy: 0.5042851110066631
Energy: 0.5146844433008628
Energy: 0.4824377295179281
Energy: 0.505960181758009
Energy: 0.5201440377552479
Energy: 0.455116890714939
Energy: 0.482590219028715
Energy: 0.5071812171321531
Energy: 0.49005073412769184
Energy: 0.4858611830259988
Energy: 0.522839575485679
Energy: 0.46811057414290314
Energy: 0.4680922261136169
Energy: 0.5130490718196538
Energy: 0.46891743344489556
Energy: 0.46861686571061045
Energy: 0.520531495859646
Energy: 0.4816369251806902
Energy: 0.4817607063794486
Energy: 0.4688011256552589
Energy: 0.481621116846582
Energy: 0.48523334652779887
Energy: 0.4815184242996795
Energy: 0.4850471913271093
Energy: 0.4818762233733753
Energy: 0.4815992830294024
Energy: 0.47014990913717947
Energy: 0.4814584502551149
Energy: 0.4737703755428317
Energy: 0.49842193411452684
Energy: 0.46861428456979204
Energy: 0.46896581436581836
Energy: 0.5130286890644143
Energy: 0.4684823315111103
Energy: 0.47954211482665604
Energy: 0.4868085348140967
Energy: 0.486627381385715
Energy: 0.4765805928269036
Energy: 0.5033752819393078
Energy: 0.45869226937790963
Energy: 0.47927699983301086
Energy: 0.5051837151418946
Energy: 0.4871272437012736
Energy: 0.4831716511094113
Energy: 0.5105165911206038
Energy: 0.4583133147546806
Energy: 0.47384508880822834
Energy: 0.49322129965564293
Energy: 0.4687709036438227
Energy: 0.46909479038703755
Energy: 0.48649658123984196
Energy: 0.46849614916675647
Energy: 0.4742755781319803
Energy: 0.5017958368821259
Energy: 0.4793169314032408
Energy: 0.4774356754915771
Energy: 0.5104615350915098
Energy: 0.5194346885337049
Energy: 0.4681590904042448
Energy: 0.5277398735835299
Energy: 0.4994591993093414
Energy: 0.46825924226752735
Energy: 0.5249163455533553
Energy: 0.4689833304529585
Energy: 0.5003883638708326
Energy: 0.5145508640854075
Energy: 0.5257981820967772
Energy: 0.5013388853456162
Energy: 0.5147751258393801
Energy: 0.5062525653751617
Energy: 0.45613507679334575
Energy: 0.45718009049336983
Energy: 0.45624092521287407
Energy: 0.4561044515616238
Energy: 0.49973575433703044
Energy: 0.45635969315488517
Energy: 0.4564487918724462
Energy: 0.4563460568840654
Energy: 0.45605794126790267
Energy: 0.4575531807143108
Energy: 0.5087192553947124
Energy: 0.456253157368955
Energy: 0.45612904713209385
Energy: 0.45720197289977493
Energy: 0.45638433737024897
Energy: 0.45610985972176793
Energy: 0.4860372120255009
Energy: 0.4785427734906022
Energy: 0.5236816092591166
Energy: 0.5163329114798167
Energy: 0.4820910205122511
Energy: 0.49030757522404794
Energy: 0.5387566990339613
Energy: 0.4992058107694724
Energy: 0.48751767323373696
Energy: 0.4924392136092559
Energy: 0.48520945026611273
Energy: 0.4874811669050995
Energy: 0.488958451256961
Energy: 0.49518656246915077
Energy: 0.5184317617737186
Energy: 0.5051205877242562
Energy: 0.5070586817726518
Energy: 0.5191201107232352
Energy: 0.45677858853955006
Energy: 0.5000025021928672
Energy: 0.5154437362371287
Energy: 0.45660554172026385
Energy: 0.505279792860293
Energy: 0.4912562254752978
Energy: 0.4976265043039697
Energy: 0.48471101033241365
Energy: 0.4726303847526125
Energy: 0.4852991609002791
Energy: 0.4848096400765665
Energy: 0.4671694619272489
Energy: 0.4857866078341618
Energy: 0.49446575633144435
Energy: 0.4705309917091862
Energy: 0.4950886303412707
Energy: 0.4799570675737586
Energy: 0.48447589884981457
Energy: 0.4952006428731826
Energy: 0.5082729349699411
Energy: 0.5167810445930943
Energy: 0.48744059566328435
Energy: 0.4921738031541561
Energy: 0.488858386207501
Energy: 0.48740695954128616
Energy: 0.48524429000340125
Energy: 0.5370086343227181
Energy: 0.49702455142186364
Energy: 0.49682095649750085
Energy: 0.5378753738566837
Energy: 0.4738567013050972
Energy: 0.5072800272496124
Energy: 0.5383218871666204
Energy: 0.45679553071250345
Energy: 0.4786092208243256
Energy: 0.4998503511730002
Energy: 0.45612592124499285
Energy: 0.4566719552642773
Energy: 0.5371116903780685
Energy: 0.4562395541703681
Energy: 0.456084039039162
Energy: 0.50040334334622
Energy: 0.4580221630778682
Energy: 0.45603717988597703
Energy: 0.5371441107067487
Energy: 0.4799334716668514
Energy: 0.4691942075792539
Energy: 0.49944594761810657
Energy: 0.4561776194158989
Energy: 0.45623584648614623
Energy: 0.5356209235059832
Energy: 0.4996244947208009
Energy: 0.5009452279556462
Energy: 0.535679178720532
Energy: 0.48234610747116646
Energy: 0.5151994476910784
Energy: 0.5848661166760041
Energy: 0.4683994095910654
Energy: 0.46879916189562665
Energy: 0.4940908090595012
Energy: 0.4681913265723415
Energy: 0.5197636585036359
Energy: 0.45792565284238274
Energy: 0.47290957239374093
Energy: 0.5120428888709605
Energy: 0.45733036808551925
Energy: 0.4750773348229156
Energy: 0.497352885555185

minimum gb energy = 0.455116890714939 eV
minimum distance =  2.74914585838247 Angstroms
sigma value = 57


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

Energy: 0.7136715205498347
Energy: 0.574497769885268
Energy: 0.572392121757943
Energy: 0.5727072631544278
Energy: 0.7497353032535732
Energy: 0.5716978137604604
Energy: 0.4191366672264792
Energy: 0.435087054050441
Energy: 0.4344266315442873
Energy: 0.4331873164187882
Energy: 0.4345418372819043
Energy: 0.4338998502017803
Energy: 0.5041820535491562
Energy: 0.4940343297025045
Energy: 0.4926963702832734
Energy: 0.502374024156267
Energy: 0.45013541493497117
Energy: 0.43309534890366425
Energy: 0.4514575922259142
Energy: 0.43428559871753764
Energy: 0.4329341209022057
Energy: 0.45235065788474293
Energy: 0.44950628459144537
Energy: 0.43301428894360905
Energy: 0.4658123928939686
Energy: 0.43381436314586025
Energy: 0.4344598553033564
Energy: 0.4667904833222183
Energy: 0.43379987957563126
Energy: 0.4333078696031379
Energy: 0.45182185703041844
Energy: 0.5021385029796909
Energy: 0.5019012150046138
Energy: 0.45310625821028455
Energy: 0.502104137420234
Energy: 0.49713663773819783
Energy: 0.5026261448395936
Energy: 0.4271345355246229
Energy: 0.427183509516666
Energy: 0.5035197549552122
Energy: 0.4762388989517761
Energy: 0.501951897992045
Energy: 0.5152260926716052
Energy: 0.43614026857405136
Energy: 0.4336700036014828
Energy: 0.45427511054283204
Energy: 0.46858606690963667
Energy: 0.4333183040323396
Energy: 0.4511837871045028
Energy: 0.5006412405776709
Energy: 0.4200937257620285
Energy: 0.4192565170010381
Energy: 0.49730299758562646
Energy: 0.41990207684843384
Energy: 0.4191833417397499
Energy: 0.5016611495549914
Energy: 0.4544048024791192
Energy: 0.4209968205216348
Energy: 0.5018837880197269
Energy: 0.4198106556697848
Energy: 0.51473439240455
Energy: 0.43380019894112143
Energy: 0.43360044873360887
Energy: 0.4544142935557336
Energy: 0.46934299907665533
Energy: 0.4332766621459336
Energy: 0.6725945844124135
Energy: 0.5272597220306818
Energy: 0.4933722339476535
Energy: 0.45168390120047086
Energy: 0.5298217133571821
Energy: 0.4963989552842064
Energy: 0.4512486967123409
Energy: 0.4350165935550836
Energy: 0.4346514443035296
Energy: 0.4523176231421809
Energy: 0.4331428594539127
Energy: 0.4485520582264296
Energy: 0.45192146120662774
Energy: 0.50349685126345
Energy: 0.5016346617450549
Energy: 0.4335327353977816
Energy: 0.5024875876899727
Energy: 0.4969098129201417
Energy: 0.4673300878879861
Energy: 0.4774635898046632
Energy: 0.4335187273191259
Energy: 0.4667112013305098
Energy: 0.4753031043695673
Energy: 0.4330166857532681
Energy: 0.5023005090664383
Energy: 0.4778304332415634
Energy: 0.4196362855508692
Energy: 0.5033261607781339
Energy: 0.47529100316731604
Energy: 0.43490263369212095
Energy: 0.4189285435168007
Energy: 0.43299268444281386
Energy: 0.4345449303911624
Energy: 0.41913754877543785
Energy: 0.4549051510687538
Energy: 0.43405476819030286

minimum gb energy = 0.4189285435168007 eV
minimum distance =  2.74742087303235 Angstroms
sigma value = 9


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

Energy: 0.8019140652747003
Energy: 0.699785407287315
Energy: 0.525561486557602
Energy: 0.5278378602582598
Energy: 0.5353249216271316
Energy: 0.5276239446168226
Energy: 0.5748913347388439
Energy: 0.5052371638520559
Energy: 0.5067053192947473
Energy: 0.4952917661710022
Energy: 0.49147013905961784
Energy: 0.4988750926300737
Energy: 0.5130484462838498
Energy: 0.49681346285171674
Energy: 0.5187049542054993
Energy: 0.513485240158126
Energy: 0.4942951803170908
Energy: 0.5302504344113229
Energy: 0.491655303470738
Energy: 0.4958637450592598
Energy: 0.5137883621545263
Energy: 0.491361373085596
Energy: 0.49541473874620207
Energy: 0.4960429833839515
Energy: 0.537483200148927
Energy: 0.48818084270557727
Energy: 0.48428520190844887
Energy: 0.4768680511937629
Energy: 0.5004735459996982
Energy: 0.4763351668237406
Energy: 0.5098278079192765
Energy: 0.5071733902757626
Energy: 0.505572564558543
Energy: 0.5104518492842433
Energy: 0.5013321248981363
Energy: 0.5055188576219657
Energy: 0.5010617402403652
Energy: 0.46584441623158435
Energy: 0.5194906655960325
Energy: 0.5014630030740499
Energy: 0.5072266527327268
Energy: 0.5099830953313919
Energy: 0.4990577795404872
Energy: 0.5026584380306134
Energy: 0.5058864647371575
Energy: 0.48631572628636455
Energy: 0.503439398278451
Energy: 0.5063095573729554
Energy: 0.4975986458231782
Energy: 0.508694909668377
Energy: 0.4859729463180362
Energy: 0.5301144215721579
Energy: 0.5067228133882816
Energy: 0.5145222262786169
Energy: 0.4971872300452476
Energy: 0.4864203806640576
Energy: 0.48317932904694544
Energy: 0.5296058564974275
Energy: 0.48488178293599243
Energy: 0.4833174475167791
Energy: 0.499100430626974
Energy: 0.49693495609700084
Energy: 0.4769503928689269
Energy: 0.4935896582319818
Energy: 0.5082776949783875
Energy: 0.4772656967130519
Energy: 0.49898275579029383
Energy: 0.4968602276692098
Energy: 0.5010115151665194
Energy: 0.49233439175425114
Energy: 0.496873873927871
Energy: 0.5083330673307778
Energy: 0.6548231235517021
Energy: 0.48577282480660194
Energy: 0.48616046909140054
Energy: 0.5225975209924356
Energy: 0.4856440524423476
Energy: 0.5036264464058514
Energy: 0.4989296906785417
Energy: 0.47812607054394723
Energy: 0.4962770562035286
Energy: 0.48521509977136656
Energy: 0.4866521011846755
Energy: 0.4967008129897517
Energy: 0.5320287313019539
Energy: 0.498716769975925
Energy: 0.5009489008777318
Energy: 0.5328079106014496
Energy: 0.5078369649015585
Energy: 0.5242663258074042
Energy: 0.5252496025235646
Energy: 0.5209605661907561
Energy: 0.5103189218584239
Energy: 0.5259592964060772
Energy: 0.5164949258073456
Energy: 0.5023542385748667
Energy: 0.4995324181514291
Energy: 0.49630952435621417
Energy: 0.5136765109529192
Energy: 0.4922188793177343
Energy: 0.47772765173723114
Energy: 0.4961247220906886
Energy: 0.6020336820739307
Energy: 0.4938446105912797
Energy: 0.48541620293727483
Energy: 0.4972524941321109
Energy: 0.492939711231294
Energy: 0.485362850390965
Energy: 0.4909927858341363
Energy: 0.49680821909622985
Energy: 0.49661458222877564
Energy: 0.49120487022748166
Energy: 0.4850038146357428
Energy: 0.4969724818054926
Energy: 0.49190288903398904
Energy: 0.49658005431683516
Energy: 0.49675690647853804
Energy: 0.4926345102484575
Energy: 0.4959221550836237
Energy: 0.4966254450037558
Energy: 0.49304248345073715
Energy: 0.4919562860991824
Energy: 0.5075313036445132
Energy: 0.5021757594070912
Energy: 0.4952429576025103
Energy: 0.5081438531081504

minimum gb energy = 0.46584441623158435 eV
minimum distance =  2.72778475791357 Angstroms
sigma value = 27


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

Energy: 0.6642983206583754
Energy: 0.5775731008773277
Energy: 0.5413739469110984
Energy: 0.5403824622199651
Energy: 0.5198892880639908
Energy: 0.5741331394950503
Energy: 0.5043453230289181
Energy: 0.5343858092456665
Energy: 0.48660004287137104
Energy: 0.47321744690969614
Energy: 0.5358241389511927
Energy: 0.489193501855979
Energy: 0.5644304209291342
Energy: 0.50870342976092
Energy: 0.5010522962049504
Energy: 0.48215003162538006
Energy: 0.5350624702898028
Energy: 0.5003759251622615
Energy: 0.5555453283842486
Energy: 0.5095479663626985
Energy: 0.484817636294151
Energy: 0.49308786242539515
Energy: 0.4841204765288246
Energy: 0.5303677851122699
Energy: 0.5408174427433649
Energy: 0.5045898731705735
Energy: 0.5630652531848069
Energy: 0.4923859962711357
Energy: 0.5443324528558691
Energy: 0.5048659442951496
Energy: 0.6138700307190672
Energy: 0.5413010190765186
Energy: 0.5459737427791146
Energy: 0.5474262570277081
Energy: 0.5440427806929473
Energy: 0.5464527377967617
Energy: 0.5630303580206641
Energy: 0.523494797987976
Energy: 0.5223394337427608
Energy: 0.49116397135882284
Energy: 0.5233054153591212
Energy: 0.522512666475254
Energy: 0.584145878362888
Energy: 0.5281541276322272
Energy: 0.5399368544957153
Energy: 0.5580021544825757
Energy: 0.5293805157933575
Energy: 0.5407882321818888
Energy: 0.5576841412863057
Energy: 0.5502003661416949
Energy: 0.5183121033223826
Energy: 0.5458923615343473
Energy: 0.5523846658312839
Energy: 0.5179689927713287
Energy: 0.552391941010677
Energy: 0.5049798646342052
Energy: 0.5056480782962978
Energy: 0.5314270297288063
Energy: 0.5064666433732286
Energy: 0.5073564260075067
Energy: 0.49971375574165094
Energy: 0.46940621052139825
Energy: 0.5490559675515261
Energy: 0.478078147386541
Energy: 0.49081698571588495
Energy: 0.4737088378366521
Energy: 0.49888010706353597
Energy: 0.4952042052364249
Energy: 0.49565214113791045
Energy: 0.4993822555423341
Energy: 0.49432705160814305
Energy: 0.5023516185113553
Energy: 0.5830390483352459
Energy: 0.5062639010016513
Energy: 0.5056469651681818
Energy: 0.5070000355377708
Energy: 0.5065405610869921
Energy: 0.5060990021392247
Energy: 0.548702810520519
Energy: 0.5061701963632014
Energy: 0.5067499454838776
Energy: 0.5305462932944714
Energy: 0.5057016801804668
Energy: 0.5072785881902178
Energy: 0.5266887610860366
Energy: 0.505066715751451
Energy: 0.5031559727148878
Energy: 0.5267435647507523
Energy: 0.5052892688918612
Energy: 0.5025976931480125
Energy: 0.5723015760829695
Energy: 0.5109992092343816
Energy: 0.5344583099622116
Energy: 0.5576537571741171
Energy: 0.5494462379189932
Energy: 0.5329152549968538
Energy: 0.514605725090505
Energy: 0.5404705997605888
Energy: 0.5436107394560752
Energy: 0.5127034783063845
Energy: 0.5449113410709615
Energy: 0.5450649496089437
Energy: 0.566142456603194
Energy: 0.5464126434693511
Energy: 0.544050005141844
Energy: 0.5473323745736209
Energy: 0.542089436757533
Energy: 0.5456645487950428
Energy: 0.5829977831151245
Energy: 0.5234965760884489
Energy: 0.5232941782609248
Energy: 0.5609177691919155
Energy: 0.5243182939029397
Energy: 0.5231671832457655
Energy: 0.5618517252393788
Energy: 0.5235659110953382
Energy: 0.5232204717373522
Energy: 0.4904512248803904
Energy: 0.5246036434421988
Energy: 0.5232904263259859
Energy: 0.657570145696532
Energy: 0.5459013172901841
Energy: 0.546086857159182
Energy: 0.5484014912950961
Energy: 0.5451717312515012
Energy: 0.5449074274343257
Energy: 0.5363711860714228
Energy: 0.5400180287498492
Energy: 0.5162699307080865
Energy: 0.5359953318732159
Energy: 0.5128368009852267
Energy: 0.5190196279278426
Energy: 0.5435213497350114
Energy: 0.5431279288882102
Energy: 0.4742811548451598
Energy: 0.47321048509890773
Energy: 0.4702088457616011
Energy: 0.5612758705059956
Energy: 0.5439530910664114
Energy: 0.5769585665616541
Energy: 0.5111781356597014
Energy: 0.4737519071355153
Energy: 0.50993690170976
Energy: 0.5628777301826002
Energy: 0.5046111984054807
Energy: 0.5731516591019737
Energy: 0.5489632676759929
Energy: 0.534745311540074
Energy: 0.571484424411356
Energy: 0.5195591080358115

minimum gb energy = 0.46940621052139825 eV
minimum distance =  2.68098654212363 Angstroms
sigma value = 19


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

Energy: 0.7590397664957572
Energy: 0.5744022598563312
Energy: 0.5832853170996075
Energy: 0.4854360726704414
Energy: 0.5083469396613938
Energy: 0.5845535467698817
Energy: 0.48971508761739385
Energy: 0.49046824022814584
Energy: 0.49016628881981034
Energy: 0.4935742256891984
Energy: 0.4914691279335557
Energy: 0.49100444156012285
Energy: 0.4998916352285795
Energy: 0.4881656534361523
Energy: 0.4908852095599744
Energy: 0.4984574120036842
Energy: 0.4944420426785997
Energy: 0.49745129066483057
Energy: 0.5009248095481424
Energy: 0.4890993488053605
Energy: 0.48464903997602293
Energy: 0.4914190335477448
Energy: 0.4920266962754802
Energy: 0.487716339529997
Energy: 0.526706182579513
Energy: 0.4986533901090981
Energy: 0.50001694027914
Energy: 0.4999316100869695
Energy: 0.49764521589578525
Energy: 0.49690825641544567
Energy: 0.5009019696759088
Energy: 0.48786169404084867
Energy: 0.5244007645028221
Energy: 0.49182171382860973
Energy: 0.49337079124243916
Energy: 0.5221157483106784
Energy: 0.52244280614257
Energy: 0.537907438891954
Energy: 0.5388745291441999
Energy: 0.5127253428592338
Energy: 0.5381192994278426
Energy: 0.5406292575186193
Energy: 0.5364288443395191
Energy: 0.49532935467503647
Energy: 0.4939063897959314
Energy: 0.5370723806548755
Energy: 0.5132862001226766
Energy: 0.5372926940344109
Energy: 0.5176064521510295
Energy: 0.49507335721510415
Energy: 0.4889030822452472
Energy: 0.49455012644422774
Energy: 0.4979503864995847
Energy: 0.4898213982464886
Energy: 0.5181230482203213
Energy: 0.5036719908952839
Energy: 0.49700731350322647
Energy: 0.4919865678075239
Energy: 0.4970070614772935
Energy: 0.4973048923253186
Energy: 0.49569236021291074
Energy: 0.4812195749299055
Energy: 0.4842577174515439
Energy: 0.49602713049825436
Energy: 0.4818803806983741
Energy: 0.48785421446398713
Energy: 0.4886791512736629
Energy: 0.5239131793094849
Energy: 0.4741920712139706
Energy: 0.48913588307690686
Energy: 0.5009438164449297
Energy: 0.47345618335400086
Energy: 0.5241956262827937
Energy: 0.49756953838852186
Energy: 0.5427455751840535
Energy: 0.5111687508046775
Energy: 0.5046203473405089
Energy: 0.49268788805270564
Energy: 0.5223399343224934
Energy: 0.4975242143557727
Energy: 0.4989167438411419
Energy: 0.4986483277597983
Energy: 0.4963547636700318
Energy: 0.4973917821937085
Energy: 0.4884157236312979
Energy: 0.47732227053538684
Energy: 0.4709285268464182
Energy: 0.4889041544347335
Energy: 0.4740531119268676
Energy: 0.4735627773743893
Energy: 0.4888182379584843
Energy: 0.47311527706484874
Energy: 0.4756220536559659
Energy: 0.4893903833252016
Energy: 0.47649469850250664
Energy: 0.4781156153523839
Energy: 0.6434141985308758
Energy: 0.5001487337787552
Energy: 0.5039446220632756
Energy: 0.4871542009835555
Energy: 0.499147048397002
Energy: 0.5001405205892069
Energy: 0.5084904036297706
Energy: 0.48205160951929865
Energy: 0.47810799953046956
Energy: 0.4919120776282333
Energy: 0.4893886502370804
Energy: 0.47669501688974614
Energy: 0.505268070910036
Energy: 0.4856694693804193
Energy: 0.48359118890990616
Energy: 0.5103395504295456
Energy: 0.4857462585480391
Energy: 0.48412139515459923
Energy: 0.499443603568334
Energy: 0.4857257983738322
Energy: 0.48364933035565866
Energy: 0.4998919244951825
Energy: 0.48944198823161783
Energy: 0.481675993247359
Energy: 0.5062322311745896
Energy: 0.48304434255420625
Energy: 0.477963496397608
Energy: 0.4720434584859448
Energy: 0.48960259259489036
Energy: 0.4779040440541429
Energy: 0.5145708398794097
Energy: 0.4732892844177694
Energy: 0.4732995830829203
Energy: 0.5152046248190109
Energy: 0.4901522705875201
Energy: 0.47323248626201686
Energy: 0.5135510050809414
Energy: 0.49928951302309776
Energy: 0.49885100596520726
Energy: 0.5142671257817655
Energy: 0.49948945397414074
Energy: 0.4912463868364175
Energy: 0.4997991017069883
Energy: 0.4658320481304252
Energy: 0.4826717554104215
Energy: 0.4996909579790347
Energy: 0.5005246408201401
Energy: 0.48383385336977086
Energy: 0.5235518243533931
Energy: 0.48250538573110985
Energy: 0.4740476997828886
Energy: 0.5129091529301545
Energy: 0.48925807947388406
Energy: 0.47368185018682707
Energy: 0.5212382360035392
Energy: 0.4906464714097219
Energy: 0.49042090918352815
Energy: 0.49255241392947585
Energy: 0.4895316895746547
Energy: 0.4887235654230489
Energy: 0.49930019303964573
Energy: 0.4942512751323652
Energy: 0.49408769875230785
Energy: 0.49769826835147246
Energy: 0.49425282527806774
Energy: 0.49746982498342923
Energy: 0.4986732992971608
Energy: 0.4940065050098199
Energy: 0.49523849889660676
Energy: 0.4970769955427913
Energy: 0.4942899915867543
Energy: 0.49006661343003605
Energy: 0.5137530064261113
Energy: 0.5377423442669284
Energy: 0.5392052631608398
Energy: 0.5023915486571815
Energy: 0.5364783804008193
Energy: 0.5139365285427504

minimum gb energy = 0.4658320481304252 eV
minimum distance =  2.73104343994469 Angstroms
sigma value = 101


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

Energy: 0.7097457965204014
Energy: 0.5007320805591448
Energy: 0.4992842274730326
Energy: 0.4771943325750207
Energy: 0.49021823296475364
Energy: 0.4860453732038187
Energy: 0.5237219237397568
Energy: 0.48419347593106854
Energy: 0.4853407241675614
Energy: 0.48709155422819106
Energy: 0.5012388334827413
Energy: 0.48552438796464303
Energy: 0.49896932292705765
Energy: 0.49646313786470253
Energy: 0.4945171381160223
Energy: 0.49535176971607175
Energy: 0.4850007147819418
Energy: 0.4957413427315541
Energy: 0.5000962814446855
Energy: 0.5122857583634236
Energy: 0.504708034209232
Energy: 0.5006150287630978
Energy: 0.4873609262236485
Energy: 0.4829357897780201
Energy: 0.5051020512615103
Energy: 0.49466775806796404
Energy: 0.4957430693076743
Energy: 0.5062156435173727
Energy: 0.49423580033655967
Energy: 0.5018366005438258
Energy: 0.5035620678617514
Energy: 0.4841087508354129
Energy: 0.5050801352991031
Energy: 0.5039458302522628
Energy: 0.4849237996854856
Energy: 0.5075563173989718
Energy: 0.5198557807948847
Energy: 0.48665889784258104
Energy: 0.49132173771616333
Energy: 0.5060897615547563
Energy: 0.4892310767802076
Energy: 0.4929817054530412
Energy: 0.5074033589778963
Energy: 0.5119821914330327
Energy: 0.4885295205413321
Energy: 0.5080952890172693
Energy: 0.49621118738823145
Energy: 0.5030976540967735
Energy: 0.4959235422621565
Energy: 0.4856665101884329
Energy: 0.4870196789825037
Energy: 0.4933452405502308
Energy: 0.4943239920663412
Energy: 0.49698352301895243
Energy: 0.4945184993193271
Energy: 0.48800498308792634
Energy: 0.488193522691373
Energy: 0.48885531247870756
Energy: 0.4907892670248325
Energy: 0.5029508240253905
Energy: 0.5515399550594128
Energy: 0.4743232822595882
Energy: 0.48041786581810353
Energy: 0.5521617144480272
Energy: 0.47425391161111674
Energy: 0.4789426214069683
Energy: 0.4979111060264201
Energy: 0.5014156578216727
Energy: 0.4879781106079807
Energy: 0.4978767492819557
Energy: 0.4980436760175656
Energy: 0.48839783557433303
Energy: 0.5006576836511198
Energy: 0.49437506048545304
Energy: 0.4858051845840218
Energy: 0.4958625324794594
Energy: 0.493577554082962
Energy: 0.4861370668773483
Energy: 0.49982483742932365
Energy: 0.4860895488105165
Energy: 0.48700906020987206
Energy: 0.4876312916333149
Energy: 0.4897072062849145
Energy: 0.4878816508344976
Energy: 0.49789647226803907
Energy: 0.49630074015073494
Energy: 0.4976308562144675
Energy: 0.4947851456536813
Energy: 0.4948729167289168
Energy: 0.49660016153341563
Energy: 0.49808452328707037
Energy: 0.5022754393996005
Energy: 0.4855951884474578
Energy: 0.4930057137258392
Energy: 0.4977113275259341
Energy: 0.482524575261892
Energy: 0.7098569746857645
Energy: 0.5391876838463303
Energy: 0.49980195220292417
Energy: 0.47390977499875775
Energy: 0.5389025602296711
Energy: 0.47429236514594797
Energy: 0.5384259851145906
Energy: 0.4846325465329921
Energy: 0.4850694549193881
Energy: 0.4950818445774307
Energy: 0.5002701457780335
Energy: 0.5001600799771013
Energy: 0.4979924297844779
Energy: 0.49719043897661114
Energy: 0.4863097503419604
Energy: 0.4945606307971632
Energy: 0.491003805025982
Energy: 0.48558921106722436
Energy: 0.5000529347597598
Energy: 0.4973025909363041
Energy: 0.48524630699961985
Energy: 0.5007474738432637
Energy: 0.4908528837368684
Energy: 0.4857194494033135
Energy: 0.5067656988307444
Energy: 0.4960330202602517
Energy: 0.4906990337972331
Energy: 0.5035552785284388
Energy: 0.4958559002630086
Energy: 0.5001799401428372
Energy: 0.5155167933110177
Energy: 0.4849016378283145
Energy: 0.485456732703482
Energy: 0.5016974669868773
Energy: 0.49289801322216475
Energy: 0.4858491086041576
Energy: 0.5094787699159902
Energy: 0.4973759173651085
Energy: 0.48612791412637074
Energy: 0.509935629015699
Energy: 0.4978572435968802
Energy: 0.4888783576425065
Energy: 0.5068884931674458
Energy: 0.49506123950708425
Energy: 0.4900808145448276
Energy: 0.5074832324294413
Energy: 0.4932541340753487
Energy: 0.5026963091104876
Energy: 0.498277210068102
Energy: 0.4855343322351971
Energy: 0.48587165706164226
Energy: 0.49623728687606466
Energy: 0.4930934735103964
Energy: 0.48545605468989694
Energy: 0.4950557856666922
Energy: 0.4908172035981432
Energy: 0.4943662916060303
Energy: 0.49382173039434063
Energy: 0.49443789029920204
Energy: 0.4877834729017389
Energy: 0.4968821262509588
Energy: 0.4676623930367305
Energy: 0.4890142666096983
Energy: 0.49722736056481187
Energy: 0.4887926717762838
Energy: 0.47074658393237356
Energy: 0.5004111018039268
Energy: 0.48716084206685095
Energy: 0.4660554374073522
Energy: 0.500410925006337
Energy: 0.4916818407101806
Energy: 0.4969733933557171
Energy: 0.49951000545814134
Energy: 0.49942704812334515
Energy: 0.49691408315465985
Energy: 0.4918367805234378
Energy: 0.5053486085068515
Energy: 0.49603238344880973
Energy: 0.5003324681736182
Energy: 0.4848330190919393
Energy: 0.4824328237946761
Energy: 0.49164493568880485
Energy: 0.4845060719349039
Energy: 0.4828485179098256
Energy: 0.49938269422391063
Energy: 0.49664890692125035
Energy: 0.4973140319732831
Energy: 0.49441242980387345
Energy: 0.493429799283009
Energy: 0.4881463499644908
Energy: 0.49823321963480105
Energy: 0.49339963559732375
Energy: 0.4862077267312488
Energy: 0.4933440281902532
Energy: 0.4922873897757159
Energy: 0.48577639235246517
Energy: 0.4984046653629764
Energy: 0.5010182272296698
Energy: 0.49399016538893425
Energy: 0.4798739344389111
Energy: 0.4933612683097303
Energy: 0.4938841202277281

minimum gb energy = 0.4660554374073522 eV
minimum distance =  2.74301340671041 Angstroms
sigma value = 33


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

Energy: 0.01002569829666051
Energy: 0.01144194927224977
Energy: 0.0104452144465727
Energy: 0.01120331167823466
Energy: 0.3745118897198981
Energy: 0.010308838705040298
Energy: 0.011416485784041426
Energy: 0.07079994593036484
Energy: 0.07054503270756642
Energy: 0.07137139160215504
Energy: 0.07186898696539515
Energy: 0.0702772985923511
Energy: 0.5535310434384628
Energy: 0.37289465106421293
Energy: 0.3719667132594761
Energy: 0.3730146680413293
Energy: 0.3744914331271462
Energy: 0.37165855227478284
Energy: 0.011416485784694624
Energy: 0.07079994593070077
Energy: 0.07054503270821962
Energy: 0.0713713916024723
Energy: 0.07186898696505921
Energy: 0.07027729859201517

minimum gb energy = 0.01002569829666051 eV
minimum distance =  2.90221936600841 Angstroms
sigma value = 1