Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.089974194765093
cohesive_energy=2.8502318916670517
mass=107.8682
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=[9.00674810039538e-20, 1.419446786715666e-19, 1.8592779184579797e-19, 2.23412316374862e-19, 2.55088950605676e-19, 2.8220739231276e-19, 3.05656849527984e-19, 3.2607338637504597e-19, 3.4398892549643398e-19, 3.59951411300976e-19, 3.7442387283589796e-19, 3.87657851832738e-19, 3.9969660706061396e-19, 4.1049047104387196e-19, 4.200106046031e-19, 4.2827943821117394e-19, 4.35353048050284e-19, 4.41298725539058e-19, 4.46183762096124e-19, 4.50065836080306e-19, 4.53002625850428e-19, 4.5504219670551e-19, 4.562342161212059e-19, 4.5662194286663395e-19, 4.56206979118428e-19, 4.54867559452404e-19, 4.52440261851894e-19, 4.48703985941406e-19, 4.43221337499858e-19, 4.35345037167114e-19, 4.24331674984998e-19, 4.0934972128046395e-19, 3.8946510707588997e-19, 3.6363481538254193e-19, 3.3074373126315597e-19, 2.8953414606004195e-19, 2.38498411560606e-19, 1.7577960504604198e-19, 9.89956102969188e-20, 5.031219153152159e-21, -1.099182892815504e-19, -2.50149440043054e-19, -4.2054733377548993e-19, -6.271608281428619e-19, -8.784157700633759e-19, -1.1865591977273279e-18, -1.568756831591394e-18, -2.05067393915562e-18, -2.67384054094992e-18, -3.50362384146486e-18]
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: -5.85410000009112e-06 eV

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

Energy: 0.008587301794502827
Energy: 0.29925825300625236
Energy: 0.008821494196417647
Energy: 0.008717165066248594
Energy: 0.2970865134060454
Energy: 0.008892799320166045
Energy: 0.29925825300434683
Energy: 0.06656156427632766
Energy: 0.0666581972124531
Energy: 0.06667005945821479
Energy: 0.06661974814212902
Energy: 0.0669222658254686
Energy: 0.00882149419497488
Energy: 0.0666581972124531
Energy: 0.06669068840761845
Energy: 0.008933101005549254
Energy: 0.06656190602359437
Energy: 0.0672073112310225
Energy: 0.008717165066003596
Energy: 0.06667005945821479
Energy: 0.008933101005304256
Energy: 0.008737274269864578
Energy: 0.06659693756396264
Energy: 0.008907347578724172
Energy: 0.297086513400778
Energy: 0.06661974814236042
Energy: 0.06656190602383937
Energy: 0.06659693756133571
Energy: 0.06662472324767958
Energy: 0.06694490004366192
Energy: 0.008892799319689658
Energy: 0.06692226582619
Energy: 0.0672073112315125
Energy: 0.008907347578969169
Energy: 0.06694490004366192
Energy: 0.008917824778671379

minimum gb energy = 0.008587301794502827 eV
minimum distance =  2.88810705379878 Angstroms
sigma value = 1


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

Energy: 0.8560057718445295
Energy: 0.8334949589743391
Energy: 0.5784400457316551
Energy: 0.5185053538313523
Energy: 0.825560163680385
Energy: 0.5779240328948595
Energy: 0.7783463922174949
Energy: 0.5405480109216212
Energy: 0.5364434091862562
Energy: 0.5296732568052117
Energy: 0.5496810637740248
Energy: 0.542637782042779
Energy: 0.7791444905037169
Energy: 0.5501674020235141
Energy: 0.5502709366343002
Energy: 0.5490450346937921
Energy: 0.5425633658183509
Energy: 0.537452305402718
Energy: 0.8611608442611428
Energy: 0.5381065652320658
Energy: 0.542287627693144
Energy: 0.5365092032307923
Energy: 0.53815738174612
Energy: 0.5424105391300444
Energy: 0.792563614930052
Energy: 0.5438595133340192
Energy: 0.542402726312046
Energy: 0.5309710057279515
Energy: 0.507320094832595
Energy: 0.5416517108489208
Energy: 0.7767812392800035
Energy: 0.5516214910663643
Energy: 0.5525723163529287
Energy: 0.532069381329827
Energy: 0.5076773989461818
Energy: 0.5481837050557048
Energy: 0.7782025517287766
Energy: 0.512562021059889
Energy: 0.5492884828538704
Energy: 0.5315373309288186
Energy: 0.5126438487066265
Energy: 0.5482862991494664
Energy: 0.7510258280681851
Energy: 0.5484261746813419
Energy: 0.5488130559879604
Energy: 0.5082582503052351
Energy: 0.5339122930379161
Energy: 0.5063800261545346
Energy: 0.6292490621161405
Energy: 0.5314681342528713
Energy: 0.5315414649496967
Energy: 0.5506482580009056
Energy: 0.5401653195161399
Energy: 0.5526365817697244
Energy: 0.6255757085155951
Energy: 0.5422726451167338
Energy: 0.5421885247593091
Energy: 0.5071250237816495
Energy: 0.5319762647268504
Energy: 0.5430438126844492
Energy: 0.6090163895236326
Energy: 0.534312979017894
Energy: 0.5351753905511303
Energy: 0.5629111872935442
Energy: 0.5338361606379799
Energy: 0.543817147871059
Energy: 0.5625014684844716
Energy: 0.5443064035799914
Energy: 0.539307946635061
Energy: 0.5628505158796174
Energy: 0.5482438848222578
Energy: 0.5362050216446195
Energy: 0.5611950193860384
Energy: 0.533112799392608
Energy: 0.5325758003593317
Energy: 0.550029677594524
Energy: 0.5505643189649005
Energy: 0.5446121019239801
Energy: 0.6072692804928967
Energy: 0.5427754673830347
Energy: 0.5418351092726738
Energy: 0.5425653230029833
Energy: 0.5360369756318693
Energy: 0.5384360482796806
Energy: 0.5822582308729003
Energy: 0.5312818588101487
Energy: 0.5412892705550576
Energy: 0.5538488614465517
Energy: 0.5215802423071292
Energy: 0.5357179598352209
Energy: 0.5829111833042667
Energy: 0.5348438061166783
Energy: 0.5339472667265005
Energy: 0.5588059739921638
Energy: 0.5501131770391605
Energy: 0.5450063315303387
Energy: 0.7238195173354949
Energy: 0.5365845062105491
Energy: 0.5479790817493082
Energy: 0.5363735183553776
Energy: 0.5339022574236281
Energy: 0.5461283559161142
Energy: 0.7001898145594576
Energy: 0.500963835923103
Energy: 0.5500991781697802
Energy: 0.5428392437049346
Energy: 0.5017225301213014
Energy: 0.5502313307241316
Energy: 0.7008973602632554
Energy: 0.5506112013585248
Energy: 0.5506536986770403
Energy: 0.533998489515249
Energy: 0.5003870105352192
Energy: 0.5501636051992649
Energy: 0.7474250779875152
Energy: 0.5515493382124896
Energy: 0.5507483302382392
Energy: 0.532934812428246
Energy: 0.5002950423666499
Energy: 0.5500268709638353
Energy: 0.8104108373132072
Energy: 0.5429508578415166
Energy: 0.5374682522818139
Energy: 0.5325142880205919
Energy: 0.5429138712404082
Energy: 0.5352243985287312
Energy: 0.8143799000457221
Energy: 0.5529336708486052
Energy: 0.54638778450995
Energy: 0.5480912161277507
Energy: 0.559584487229966
Energy: 0.5384777082853031
Energy: 0.8030913285252437
Energy: 0.5398987855750715
Energy: 0.5359613513016539
Energy: 0.5412843060767804
Energy: 0.5521349731061295
Energy: 0.5426392694174909

minimum gb energy = 0.5002950423666499 eV
minimum distance =  2.71393830363091 Angstroms
sigma value = 33


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

Energy: 0.9393252217127604
Energy: 0.5554015705970702
Energy: 0.5736966206948872
Energy: 0.5714908234375019
Energy: 0.5656329560339762
Energy: 0.5728933462565237
Energy: 0.7261912017329755
Energy: 0.5635842171701927
Energy: 0.5636288565624239
Energy: 0.5546118377310468
Energy: 0.5639946757346432
Energy: 0.5548555591872281
Energy: 0.7217217283850735
Energy: 0.5640930805849874
Energy: 0.5642311082800266
Energy: 0.5549205101150684
Energy: 0.5640151289817953
Energy: 0.5558169532183488
Energy: 0.7742577164342181
Energy: 0.5641334313642269
Energy: 0.553969234714818
Energy: 0.558690820903577
Energy: 0.5640498321164468
Energy: 0.5586430804052022
Energy: 0.7227952668334472
Energy: 0.5712600518467558
Energy: 0.5721376018286279
Energy: 0.5299459918488946
Energy: 0.550002746118037
Energy: 0.555938114782606
Energy: 0.777759911984393
Energy: 0.5703326595425265
Energy: 0.5728681889968689
Energy: 0.5486650065178258
Energy: 0.5704366120596459
Energy: 0.5610449702752613
Energy: 0.7765424997684931
Energy: 0.5617900425253082
Energy: 0.5619361273065789
Energy: 0.5604546933737176
Energy: 0.5402205802553313
Energy: 0.560375588449862
Energy: 0.723087851960446
Energy: 0.566331616455835
Energy: 0.5671644019229928
Energy: 0.5623757656694879
Energy: 0.5661352697485054
Energy: 0.5665708299657759
Energy: 0.6160501513612012
Energy: 0.5684764711690634
Energy: 0.557196716428864
Energy: 0.5706649244835914
Energy: 0.5297214740554989
Energy: 0.5723615800534176
Energy: 0.6149776864951441
Energy: 0.568995119719882
Energy: 0.5680435927753442
Energy: 0.549408353596481
Energy: 0.555172647892713
Energy: 0.5552471748238575
Energy: 0.6197224312964417
Energy: 0.5382703630769964
Energy: 0.5376379855002776
Energy: 0.6201789672342892
Energy: 0.5378664870857394
Energy: 0.5376857380970532
Energy: 0.566600343153447
Energy: 0.5669136436195662
Energy: 0.5555394879959971
Energy: 0.5639524812286068
Energy: 0.5662356966796359
Energy: 0.5711081018623219
Energy: 0.5664126598053216
Energy: 0.5535308532769445
Energy: 0.5698039548240234
Energy: 0.5641526699805978
Energy: 0.5724105167350411
Energy: 0.5489801692684523
Energy: 0.5722175594704706
Energy: 0.5593893666174325
Energy: 0.5588788335484568
Energy: 0.5699860641509453
Energy: 0.5590691659946174
Energy: 0.5588155568544706
Energy: 0.615141230482707
Energy: 0.5686155073560181
Energy: 0.5681934179973303
Energy: 0.5498982094677223
Energy: 0.5556344900595618
Energy: 0.5551628230199391
Energy: 0.6164469214294208
Energy: 0.5495574843462228
Energy: 0.5604065293772156
Energy: 0.5702520699592931
Energy: 0.5477706263167805
Energy: 0.5610433720064237
Energy: 0.7258661764594904
Energy: 0.5602213783581338
Energy: 0.5602328563715342
Energy: 0.539502158341451
Energy: 0.5603456321720931
Energy: 0.5618501873318893
Energy: 0.6769557744769145
Energy: 0.5615366718649736
Energy: 0.5578698631579997
Energy: 0.5663859305505988
Energy: 0.5501502717582949
Energy: 0.5659798749751164
Energy: 0.6700636917440935
Energy: 0.5695431557245294
Energy: 0.5710316591394303
Energy: 0.5678170382887424
Energy: 0.5700875887487293
Energy: 0.5571522055063128
Energy: 0.7227894797362769
Energy: 0.5712675313272875
Energy: 0.5723446197289781
Energy: 0.5310100869430732
Energy: 0.5713683337304343
Energy: 0.56806273196848
Energy: 0.8774871410484081
Energy: 0.5610878240252601
Energy: 0.5373691866255865
Energy: 0.53782024559895
Energy: 0.5538397811597227
Energy: 0.5374738562103806
Energy: 0.6707763100090693
Energy: 0.5641634500776446
Energy: 0.5492107284107832
Energy: 0.5664125135393553
Energy: 0.5643391755175629
Energy: 0.5628332784419356
Energy: 0.7251852515043387
Energy: 0.5634422267211195
Energy: 0.5636673050451299
Energy: 0.5696517797115126
Energy: 0.5644772459501284
Energy: 0.555440255688308
Energy: 0.8036216276699091
Energy: 0.5605991616247278
Energy: 0.5550341507221043
Energy: 0.5581667413545862
Energy: 0.570313273265237
Energy: 0.5724137587018933
Energy: 0.7245154207953853
Energy: 0.548741762562424
Energy: 0.5534183434412193
Energy: 0.5542077514708962
Energy: 0.548961593060851
Energy: 0.5693071835119281
Energy: 0.7232982699373841
Energy: 0.5701206820536127
Energy: 0.5720552354793947
Energy: 0.5572316419019617
Energy: 0.570181101097403
Energy: 0.5618823478918972
Energy: 0.7753181739511528
Energy: 0.5391184974538298
Energy: 0.5609206376827471
Energy: 0.5609987854078243
Energy: 0.5386389623711114
Energy: 0.5606825674554474
Energy: 0.7235892468403468
Energy: 0.568427660915526
Energy: 0.5664958906253759
Energy: 0.5606071480907905
Energy: 0.5675485245140748
Energy: 0.5581269653794318
Energy: 0.6168676025974598
Energy: 0.5666146815699272
Energy: 0.5663818148497752
Energy: 0.5710321690862467
Energy: 0.567233700648915
Energy: 0.5715654659938101
Energy: 0.6165684000307449
Energy: 0.5687622179900647
Energy: 0.5675021862615166
Energy: 0.5708362751947705
Energy: 0.5314651207665234
Energy: 0.5759046770713838
Energy: 0.6211760684423637
Energy: 0.5376184492941738
Energy: 0.5374604391046727
Energy: 0.5539883475951509
Energy: 0.5378592370146578
Energy: 0.5373116227126365
Energy: 0.5636624401441475
Energy: 0.5510457402596795
Energy: 0.5327650168772583
Energy: 0.5637211608456865
Energy: 0.5670712129337127
Energy: 0.560707826192617
Energy: 0.5643561280893493
Energy: 0.5686403626201175
Energy: 0.5687732481348684
Energy: 0.5648610687922041
Energy: 0.5545902425424133
Energy: 0.5489066553748945
Energy: 0.5643132576065386
Energy: 0.5588696845022703
Energy: 0.5586964769113842
Energy: 0.5642272080253757
Energy: 0.5589131084781447
Energy: 0.5589880022726338
Energy: 0.6149195359829176
Energy: 0.569037893260969
Energy: 0.5694754746480865
Energy: 0.5492745254048018
Energy: 0.5700187202304837
Energy: 0.5553225347634307
Energy: 0.614431006988954
Energy: 0.5487391967134148
Energy: 0.5583619872033758
Energy: 0.571000602974715
Energy: 0.55707593787133
Energy: 0.5723476098811459
Energy: 0.6152668097784425
Energy: 0.5607794951231505
Energy: 0.5608297582649442
Energy: 0.5387028471010337
Energy: 0.5611756862196572
Energy: 0.5608638927029713
Energy: 0.6699164234130665
Energy: 0.5576268347352895
Energy: 0.5577488235838646
Energy: 0.5670646456548932
Energy: 0.5575416965404699
Energy: 0.5717714742953764
Energy: 0.6751350523749785
Energy: 0.5715924038343595
Energy: 0.5718759650537258
Energy: 0.566231982840448
Energy: 0.5713188193405265
Energy: 0.5660946208085185
Energy: 0.7227448024377743
Energy: 0.5697847096573163
Energy: 0.5710866322250192
Energy: 0.5540427147739176
Energy: 0.5701720159058173
Energy: 0.5684927317651203
Energy: 0.875038774715992
Energy: 0.5536285535288312
Energy: 0.5372696820022851
Energy: 0.5378993880203559
Energy: 0.5536505168965365
Energy: 0.5374698737303516

minimum gb energy = 0.5297214740554989 eV
minimum distance =  2.74784075482946 Angstroms
sigma value = 51


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

Energy: 0.8930358457912616
Energy: 0.5661278522722407
Energy: 0.5564726713195728
Energy: 0.5439109830276381
Energy: 0.5661639891530856
Energy: 0.5943710987700161
Energy: 0.6818912327438361
Energy: 0.5772529569722948
Energy: 0.5663149798252641
Energy: 0.5368095770393037
Energy: 0.5770054769995905
Energy: 0.5801032030616723
Energy: 0.8090540948686837
Energy: 0.5772451366092032
Energy: 0.5654827827946752
Energy: 0.5555494460177385
Energy: 0.577438747545155
Energy: 0.5576892579142467
Energy: 0.8019319373559074
Energy: 0.5542044050396217
Energy: 0.5541586345126487
Energy: 0.5438866331441854
Energy: 0.5535749793739604
Energy: 0.559096940449889
Energy: 0.6823503157529921
Energy: 0.572902061276233
Energy: 0.5829137288786788
Energy: 0.5364463180129367
Energy: 0.5360799422647416
Energy: 0.5370302531045251
Energy: 0.6815955191512646
Energy: 0.5825331353101512
Energy: 0.5823850990817548
Energy: 0.5716468643617976
Energy: 0.5826165148393067
Energy: 0.582421197276011
Energy: 0.6814760764654696
Energy: 0.5369564692784036
Energy: 0.5373950601027188
Energy: 0.5715635605673616
Energy: 0.5367824932154497
Energy: 0.581909299580266
Energy: 0.6731626095631388
Energy: 0.5514938208672792
Energy: 0.5585623409041939
Energy: 0.5535373218236191
Energy: 0.5074742596179443
Energy: 0.5589111647691769
Energy: 0.5777464894772439
Energy: 0.5607047575674929
Energy: 0.5601234787352101
Energy: 0.5775903596589989
Energy: 0.5730394394043057
Energy: 0.5834895035470552
Energy: 0.5771460330632888
Energy: 0.5560332554448191
Energy: 0.551545211160604
Energy: 0.5771440915912501
Energy: 0.5375503928724904
Energy: 0.5677137894988011
Energy: 0.5856217977995393
Energy: 0.5526117566302036
Energy: 0.5567518535973349
Energy: 0.558897579431698
Energy: 0.5372462145180293
Energy: 0.5582609303678808
Energy: 0.6045834778946241
Energy: 0.5369420826255581
Energy: 0.5755461441464547
Energy: 0.5654677665671207
Energy: 0.5476758411268782
Energy: 0.5715360799548099
Energy: 0.6038548553980347
Energy: 0.5706570840162966
Energy: 0.5748001382363657
Energy: 0.5832254335572615
Energy: 0.5628547390202786
Energy: 0.5836942425163785
Energy: 0.6048495226041647
Energy: 0.5584805004325964
Energy: 0.5442925209758845
Energy: 0.5659752252212004
Energy: 0.5583798318734429
Energy: 0.5449100041555057
Energy: 0.727120122465166
Energy: 0.5495878669012003
Energy: 0.5612885439423793
Energy: 0.5703494972178625
Energy: 0.5498581375049071
Energy: 0.560730635825311
Energy: 0.7303908019914838
Energy: 0.5665986869308868
Energy: 0.5665937327047497
Energy: 0.5701513101708359
Energy: 0.5664524121636493
Energy: 0.5515435379640026
Energy: 0.7375120559790831
Energy: 0.5839281581306535
Energy: 0.5833488195103494
Energy: 0.5361566946029804
Energy: 0.5842384192658511
Energy: 0.5657985383168372
Energy: 0.8734114301121926
Energy: 0.5656377291150949
Energy: 0.5518959783967685
Energy: 0.5508980432271134
Energy: 0.5654164119238932
Energy: 0.5611932453160946

minimum gb energy = 0.5074742596179443 eV
minimum distance =  2.72125549516509 Angstroms
sigma value = 19


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

Energy: 0.7569135792609427
Energy: 0.5402182192380245
Energy: 0.5585418220678675
Energy: 0.6089215403751388
Energy: 0.5413146843138749
Energy: 0.5530941827491921
Energy: 0.6460729158304009
Energy: 0.5388245401323207
Energy: 0.5385595380907343
Energy: 0.5590734524733197
Energy: 0.5386247958880374
Energy: 0.5386488738949426
Energy: 0.6451116929110755
Energy: 0.5389464981600403
Energy: 0.5389975650572181
Energy: 0.5649491574966249
Energy: 0.5390885823362916
Energy: 0.538974179886985
Energy: 0.6416216756480875
Energy: 0.5388678832783101
Energy: 0.5390332695146512
Energy: 0.5571237578542064
Energy: 0.5388011954047356
Energy: 0.5391891146572788
Energy: 0.6051002870770532
Energy: 0.5384829858088347
Energy: 0.5391867344726632
Energy: 0.5296009026468164
Energy: 0.5383389736285591
Energy: 0.5589446623859704
Energy: 0.6462297505268729
Energy: 0.5237332334109867
Energy: 0.5580779884373344
Energy: 0.5595273318056864
Energy: 0.5235799381870205
Energy: 0.5585111080943647
Energy: 0.6462584335077795
Energy: 0.5594422417512762
Energy: 0.5587955109952729
Energy: 0.5595265052492114
Energy: 0.5294383334494217
Energy: 0.5588624008056834
Energy: 0.6036311236761444
Energy: 0.5316806357917417
Energy: 0.5310343982802253
Energy: 0.6051325670979866
Energy: 0.5238841457199793
Energy: 0.5287052590465351
Energy: 0.5388987560311294
Energy: 0.5306998372257715
Energy: 0.5290089745442035
Energy: 0.5388819010011877
Energy: 0.5313721121749827
Energy: 0.5250168291930246
Energy: 0.5385323205072178
Energy: 0.5391602821620579
Energy: 0.5388345224226424
Energy: 0.5387262397115561
Energy: 0.5600419724795652
Energy: 0.5388069438435525
Energy: 0.538461825552861
Energy: 0.5776656763221477
Energy: 0.5776783023317756
Energy: 0.5383402050466957
Energy: 0.5572258830879802
Energy: 0.538707877519011
Energy: 0.6458116498821596
Energy: 0.5593548061343135
Energy: 0.5586018173049954
Energy: 0.5385605427266238
Energy: 0.5650603668795762
Energy: 0.5387090041262204
Energy: 0.5234630920133375
Energy: 0.5591350309038536
Energy: 0.5598074412709981
Energy: 0.525136039643023
Energy: 0.5591816503139359
Energy: 0.5592862371996608
Energy: 0.6465320619162265
Energy: 0.559372724594381
Energy: 0.55900803588222
Energy: 0.5385787393094633
Energy: 0.559769126140341
Energy: 0.5592411017933969
Energy: 0.7605236010035368
Energy: 0.5387364494642782
Energy: 0.5387450290978739
Energy: 0.5314223735782272
Energy: 0.5387875908547939
Energy: 0.5245602436956368
Energy: 0.7597061044760383
Energy: 0.5390337595804159
Energy: 0.5238668999063373
Energy: 0.5236835976047677
Energy: 0.5387085101190991
Energy: 0.5312212854829795
Energy: 0.6474057351152923
Energy: 0.5385518524454016
Energy: 0.5385070096024855
Energy: 0.5295222984712413
Energy: 0.5384397535192308
Energy: 0.5386021654868651
Energy: 0.6399911257342417
Energy: 0.5387976865290933
Energy: 0.5389543063047512
Energy: 0.5569432493194288
Energy: 0.5386467220146366
Energy: 0.5392431599253746
Energy: 0.6400401471624557
Energy: 0.5389497734762101
Energy: 0.5388442695885544
Energy: 0.5568606013760296
Energy: 0.5389023483842024
Energy: 0.5388230559962519
Energy: 0.6459578474911483
Energy: 0.5237629584935939
Energy: 0.5587783805849035
Energy: 0.5590835004973196
Energy: 0.5235004467041172
Energy: 0.5578974652347604
Energy: 0.6433898013510535
Energy: 0.5592293345176989
Energy: 0.5590267942951873
Energy: 0.5590233419825001
Energy: 0.5384246817060405
Energy: 0.5594061031435709
Energy: 0.6457907430694306
Energy: 0.5299803102804928
Energy: 0.5589262299649551
Energy: 0.5388641981752603
Energy: 0.5299229309983023
Energy: 0.5589617242595251
Energy: 0.6046180381768029
Energy: 0.5240353635795252
Energy: 0.5248921096345177
Energy: 0.6051879193595532
Energy: 0.5234441543371153
Energy: 0.528972145245881
Energy: 0.5385931789465164
Energy: 0.5598218394861518
Energy: 0.5389346280387914
Energy: 0.5385995037192178
Energy: 0.5576725997576701
Energy: 0.5386925651018563
Energy: 0.5387456248717765
Energy: 0.565072714412535
Energy: 0.5388698088786941
Energy: 0.538911729779553
Energy: 0.5653086776208183
Energy: 0.5388554275100822
Energy: 0.6061007199866919
Energy: 0.5570466955269191
Energy: 0.5577372233482039
Energy: 0.6057545934343865
Energy: 0.5571594079864196
Energy: 0.5390488327857234
Energy: 0.6457379948236446
Energy: 0.5589452542894718
Energy: 0.5595627359115055
Energy: 0.5385096771303656
Energy: 0.5596289022777766
Energy: 0.55908888296742
Energy: 0.523501106780855
Energy: 0.5597685833092225
Energy: 0.5586348241533582
Energy: 0.5236336774216221
Energy: 0.5596147336618369
Energy: 0.5576757322674717
Energy: 0.6065315315930622
Energy: 0.5592354122465107
Energy: 0.5591146335240663
Energy: 0.5296830534306296
Energy: 0.560311829075834
Energy: 0.558730904868463
Energy: 0.761538417043036
Energy: 0.5387520188706661
Energy: 0.5240655962877862
Energy: 0.5239873741703466
Energy: 0.5389161061580259
Energy: 0.5297610217414136

minimum gb energy = 0.5234441543371153 eV
minimum distance =  2.73398205816136 Angstroms
sigma value = 27


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

Energy: 0.6480411663005906
Energy: 0.5429094266011982
Energy: 0.6401972190210676
Energy: 0.5447964041284797
Energy: 0.5432920043818533
Energy: 0.6396892025746017
Energy: 0.631828952477477
Energy: 0.5416557881228391
Energy: 0.49914802978470024
Energy: 0.5051467986763727
Energy: 0.5415747792176707
Energy: 0.4699968807190936
Energy: 0.5799034266220192
Energy: 0.5411448929629733
Energy: 0.548664325282086
Energy: 0.4698061640047526
Energy: 0.5416203790548942
Energy: 0.5010666846899436
Energy: 0.5809501890339761
Energy: 0.4694815607490566
Energy: 0.46980830559896086
Energy: 0.4953863127068137
Energy: 0.5393540747056896
Energy: 0.4688160627454338
Energy: 0.6314754566825054
Energy: 0.4715692337052581
Energy: 0.4695102020001632
Energy: 0.5113631887135996
Energy: 0.49527752073055503
Energy: 0.4703080460493302
Energy: 0.5409081108157796
Energy: 0.4971074708028414
Energy: 0.4711137905920954
Energy: 0.5405484230733022
Energy: 0.4987215891724536
Energy: 0.4706800149449955
Energy: 0.5435808805318784
Energy: 0.5020703281681845
Energy: 0.4946526682616355
Energy: 0.5421316510171734
Energy: 0.5029030276120479
Energy: 0.5006743228761701
Energy: 0.5427952595206947
Energy: 0.4914626490235439
Energy: 0.4916412400412861
Energy: 0.542674274511754
Energy: 0.4919312220253087
Energy: 0.4914119138292602
Energy: 0.5797140313303665
Energy: 0.4689501248056342
Energy: 0.4700864110242489
Energy: 0.5422001321107757
Energy: 0.5085491383842465
Energy: 0.4988240428137893
Energy: 0.5817939106013623
Energy: 0.49428139513688285
Energy: 0.49391710991691723
Energy: 0.5366286723904109
Energy: 0.49515342258316414
Energy: 0.49928710806953974
Energy: 0.5800508142399547
Energy: 0.5361079050588269
Energy: 0.49947166966232304
Energy: 0.5005156736015742
Energy: 0.5366152185392017
Energy: 0.5344069109233848
Energy: 0.5798951186886244
Energy: 0.49915540814882403
Energy: 0.49902115411622433
Energy: 0.5034905602824121
Energy: 0.5422249099017447
Energy: 0.4695965832931236

minimum gb energy = 0.4688160627454338 eV
minimum distance =  2.75530296058124 Angstroms
sigma value = 9


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

Energy: 1.0459675508960955
Energy: 0.49851833527144856
Energy: 0.49556274892162583
Energy: 0.44764073341765276
Energy: 0.49873606185732977
Energy: 0.46012007947185096
Energy: 0.519638862220284
Energy: 0.46794445927591893
Energy: 0.4389403680460102
Energy: 0.4537436576577219
Energy: 0.46760865012936265
Energy: 0.4557102429141597
Energy: 0.49257495658401257
Energy: 0.4700586963157521
Energy: 0.46591563545817594
Energy: 0.46436602597924787
Energy: 0.4685597956202596
Energy: 0.467620325404056
Energy: 0.49466042927166987
Energy: 0.43976866703250134
Energy: 0.4320894975042491
Energy: 0.45972885104188926
Energy: 0.46594830440189966
Energy: 0.43203050634247486
Energy: 0.5181018003761005
Energy: 0.44403766360783015
Energy: 0.43123133139978215
Energy: 0.4664393787330221
Energy: 0.4438083410558642
Energy: 0.4575428247332504
Energy: 0.473922736424639
Energy: 0.4508648561634974
Energy: 0.457817736509235
Energy: 0.47433798548093464
Energy: 0.45105418867318114
Energy: 0.4427248853337026
Energy: 0.47530811610002943
Energy: 0.43250251438585474
Energy: 0.43235702355063677
Energy: 0.4748937707121467
Energy: 0.44583475795163185
Energy: 0.47547360075422324
Energy: 0.49031799045087177
Energy: 0.45541195487904124
Energy: 0.4350884285375101
Energy: 0.47283474983878787
Energy: 0.4587875228353776
Energy: 0.45299069009626797
Energy: 0.47935691915843853
Energy: 0.4495139302386263
Energy: 0.45863829895939223
Energy: 0.46393472176947304
Energy: 0.46064942508449747
Energy: 0.45773821261748127
Energy: 0.45526607824741905
Energy: 0.44424577555233113
Energy: 0.4322184265152463
Energy: 0.4503186261512263
Energy: 0.46157090651132304
Energy: 0.43035043385405797
Energy: 0.4505501410792945
Energy: 0.47416377682822297
Energy: 0.47648776140000343
Energy: 0.4549284971935353
Energy: 0.4740359636816409
Energy: 0.471015381558706
Energy: 0.47995880544506914
Energy: 0.47450993597310326
Energy: 0.4584822321234303
Energy: 0.4439029097720585
Energy: 0.47451360218552363
Energy: 0.4324633503918857
Energy: 0.9132128643112499
Energy: 0.5462196593638134
Energy: 0.43966976357079013
Energy: 0.4349706993603099
Energy: 0.48016782379256157
Energy: 0.4536854322108627
Energy: 0.5275929075681659
Energy: 0.4515191672074469
Energy: 0.4573454525081499
Energy: 0.44283035234249674
Energy: 0.47513506639480346
Energy: 0.4335875308697955
Energy: 0.47085767252707383
Energy: 0.4634320757214672
Energy: 0.4631557768082486
Energy: 0.46856386333804195
Energy: 0.46518011461288833
Energy: 0.4585522736632375
Energy: 0.4684131400497749
Energy: 0.45188780487534347
Energy: 0.4554277466582271
Energy: 0.4692884875349326
Energy: 0.46255071866247954
Energy: 0.46669970364151797
Energy: 0.46710255156436775
Energy: 0.4316917936134524
Energy: 0.43185352499973084
Energy: 0.46723196061928507
Energy: 0.43932032481126976
Energy: 0.4498121020295747
Energy: 0.49271824242478507
Energy: 0.43232245675562536
Energy: 0.4555050582080102
Energy: 0.46711688328714435
Energy: 0.45253746299734543
Energy: 0.44111594264264364
Energy: 0.49305749201224736
Energy: 0.45068069323050425
Energy: 0.45326296094410473
Energy: 0.4683879604878396
Energy: 0.45649253635097414
Energy: 0.4472952743983265
Energy: 0.49276611699016803
Energy: 0.46174576155529945
Energy: 0.4526284027936975
Energy: 0.4614058538868702
Energy: 0.461082822565507
Energy: 0.45403538361625484
Energy: 0.49262955030831856
Energy: 0.46789608386498766
Energy: 0.4603616609016538
Energy: 0.46810223025665315
Energy: 0.46688147748103587
Energy: 0.4473093997268428
Energy: 0.5261390998629366
Energy: 0.4572690182785448
Energy: 0.4786703090229219
Energy: 0.44492519550699117
Energy: 0.46702502916409355
Energy: 0.43209651459578224
Energy: 0.5325049252345369
Energy: 0.46739094636536677
Energy: 0.4816965377321011
Energy: 0.4445733958966072
Energy: 0.46699251023382643
Energy: 0.429757134869231
Energy: 0.4925567294000173
Energy: 0.46978212008555786
Energy: 0.4669043847740595
Energy: 0.46878266961864445
Energy: 0.46862915867775595
Energy: 0.455219971220476
Energy: 0.656771939481668
Energy: 0.4397742927851571
Energy: 0.45422937335371827
Energy: 0.46172924384236375
Energy: 0.4677891682815418
Energy: 0.45715441885713826
Energy: 0.4924871883946057
Energy: 0.4399212553060849
Energy: 0.4323546071112016
Energy: 0.46816538868604274
Energy: 0.4401180820519662
Energy: 0.4572876895952768
Energy: 0.4458216781502567
Energy: 0.4395488511653633
Energy: 0.45822981839448035
Energy: 0.4460821050234445
Energy: 0.43927907568466984
Energy: 0.45187203388567077
Energy: 0.47436624097238694
Energy: 0.43228701789094687
Energy: 0.4323270939062519
Energy: 0.4744850592347632
Energy: 0.4401783560958905
Energy: 0.4766452871212324
Energy: 0.4743145529581659
Energy: 0.44352073795292185
Energy: 0.45788506101081
Energy: 0.47434475158970807
Energy: 0.44943017957328246
Energy: 0.45509454601402444
Energy: 0.48009313169951356
Energy: 0.452562464823089
Energy: 0.4362906086835851
Energy: 0.4706975235417796
Energy: 0.45864680011513104
Energy: 0.4322794829544907
Energy: 0.4505855025802203
Energy: 0.4396551800771753
Energy: 0.4562722882271702
Energy: 0.45354849091111743
Energy: 0.44953157933663374
Energy: 0.43257433831154113
Energy: 0.45406668296365815
Energy: 0.47370441452670115
Energy: 0.4529645023618155
Energy: 0.45081339416078264
Energy: 0.47361497082662013
Energy: 0.430340267978388
Energy: 0.4912785909855426
Energy: 0.47472437210843005
Energy: 0.45859940058600457
Energy: 0.4633038676510365
Energy: 0.4754804755298035
Energy: 0.43210184794671386
Energy: 0.4904656229649515
Energy: 0.4740296918307873
Energy: 0.47413477649112556
Energy: 0.4523344518682739
Energy: 0.4739824157223333
Energy: 0.4313257938451063
Energy: 0.48805105762082035
Energy: 0.45950840893730993
Energy: 0.45024484418666627
Energy: 0.45244821363629656
Energy: 0.46633271770587587
Energy: 0.45793657638854784
Energy: 0.4905644498849394
Energy: 0.4651326750829407
Energy: 0.43847204650225424
Energy: 0.47269006908432865
Energy: 0.46588862953906196
Energy: 0.4325073000925073
Energy: 0.4687545058918035
Energy: 0.46251308435568944
Energy: 0.4645667228189928
Energy: 0.4685846708451231
Energy: 0.4632403716973841
Energy: 0.43878954448130075
Energy: 0.4672017404021033
Energy: 0.4526546746832642
Energy: 0.45231300573916944
Energy: 0.46717173516459715
Energy: 0.4526857683365947
Energy: 0.455783057482526
Energy: 0.4969898815877814
Energy: 0.43903679272821694
Energy: 0.432786668718621
Energy: 0.49667260818998266
Energy: 0.4391181030570659
Energy: 0.456869405635875
Energy: 0.49249092358018376
Energy: 0.452755782759934
Energy: 0.455714754359635
Energy: 0.4671852955554121
Energy: 0.4533654983309567
Energy: 0.4473182726262594
Energy: 0.49232988492953184
Energy: 0.4511561358648477
Energy: 0.45354527421379603
Energy: 0.4602329007901054
Energy: 0.46125852889390623
Energy: 0.4583712394733998
Energy: 0.49334371875762206
Energy: 0.46290296527996255
Energy: 0.46595625533777524
Energy: 0.46606958929867076
Energy: 0.46204259974421386
Energy: 0.45616811260214607
Energy: 0.5242510526435805
Energy: 0.4675165637023209
Energy: 0.45427474460465517
Energy: 0.44459484713652564
Energy: 0.46692765115471696
Energy: 0.4300411568646806

minimum gb energy = 0.429757134869231 eV
minimum distance =  2.71406843231833 Angstroms
sigma value = 57


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

Energy: 0.4855092929091736
Energy: 0.3452327171986995
Energy: 0.22986022467140868
Energy: 0.22881485895074655
Energy: 0.347714441274677
Energy: 0.45178798096475903
Energy: 0.5143088168739273
Energy: 0.37714627852518495
Energy: 0.3582553526261539
Energy: 0.376861352378882
Energy: 0.37690195942170596
Energy: 0.33881378979548604
Energy: 0.5143913520495993
Energy: 0.575035861993587
Energy: 0.3450501552567437
Energy: 0.34526987493634026
Energy: 0.33707955451914545
Energy: 0.6223338483116768
Energy: 0.5138836226163944
Energy: 0.4950532459339019
Energy: 0.49059425918647553
Energy: 0.4833725674840159
Energy: 0.49039708208148025
Energy: 0.49164300656168014
Energy: 0.5143955630115532
Energy: 0.313701509012677
Energy: 0.3120299042687311
Energy: 0.49105538811879684
Energy: 0.3139391436105804
Energy: 0.4953516419760554
Energy: 0.5061287939007374
Energy: 0.3140192868466073
Energy: 0.315844456713911
Energy: 0.3511401807993204
Energy: 0.3157621742585807
Energy: 0.29928486784775943
Energy: 0.504828079333672
Energy: 0.4861677517557354
Energy: 0.3394039690598856
Energy: 0.40291587298073844
Energy: 0.3406273883277284
Energy: 0.49357792403847944
Energy: 0.5063999904870273
Energy: 0.34755246448360017
Energy: 0.5507245486527392
Energy: 0.6902361861250372
Energy: 0.5904574788340364
Energy: 0.6505815901840432
Energy: 0.561438978071512
Energy: 0.4742392822109877
Energy: 0.4745193451611949
Energy: 0.337920292642879
Energy: 0.5283874732310063
Energy: 0.47468169614835337
Energy: 0.402980246169404
Energy: 0.3523714544263191
Energy: 0.22953465463699452
Energy: 0.22858451717711892
Energy: 0.34767098904571153
Energy: 0.3806079691349257
Energy: 0.3996191201134972
Energy: 0.3603930350003859
Energy: 0.5007276906530863
Energy: 0.22855597084207593
Energy: 0.5264923788778759
Energy: 0.3679254567440859
Energy: 0.4884644408132218
Energy: 0.3448491767706441
Energy: 0.49491682182909125
Energy: 0.34193048466487475
Energy: 0.529348639089492
Energy: 0.5022173565032371
Energy: 0.513818129791729
Energy: 0.6218893160962237
Energy: 0.5506325066967865
Energy: 0.402258681527996
Energy: 0.33827131294612844
Energy: 0.4814622927184673
Energy: 0.513386949147013
Energy: 0.49336227244977926
Energy: 0.34468311324331014
Energy: 0.40180656538270043
Energy: 0.39525839275974706
Energy: 0.4924272994239044
Energy: 0.3812386280844579
Energy: 0.3143207761761205
Energy: 0.31626701236078103
Energy: 0.34582856761027525
Energy: 0.3139746547771526
Energy: 0.31607020332241953
Energy: 0.5019718850075217
Energy: 0.39251516942350684
Energy: 0.48886275564658155
Energy: 0.4840156745660517
Energy: 0.31456870411149523
Energy: 0.4949312245796133
Energy: 0.5030274258986558
Energy: 0.50034215950231
Energy: 0.35623858857374635
Energy: 0.5037947693161656
Energy: 0.48854276577272876
Energy: 0.4810269967882702
Energy: 0.5141098850112723
Energy: 0.38256629288709176
Energy: 0.35827305181236896
Energy: 0.3462010497534053
Energy: 0.33875272034095816
Energy: 0.6685122336494754
Energy: 0.48660500139765156
Energy: 0.37668684181569
Energy: 0.35393353388079374
Energy: 0.2286056428487776
Energy: 0.3923939763904194
Energy: 0.34611677053977014

minimum gb energy = 0.22855597084207593 eV
minimum distance =  2.71420291635323 Angstroms
sigma value = 11


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

Energy: 0.8467461329377741
Energy: 0.5323760706660902
Energy: 0.45272627544488414
Energy: 0.3898288077042058
Energy: 0.3704405979944396
Energy: 0.4538296707609793
Energy: 0.3621163834704961
Energy: 0.36174921302568475
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Energy: 0.3649059101560306
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Energy: 0.37132068503609084
Energy: 0.36333524270807316
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Energy: 0.36776170501457467
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Energy: 0.4071944332666319
Energy: 0.4001038571994195
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Energy: 0.40707868776421935
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Energy: 0.4401534058346563
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Energy: 0.4070331611965374
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Energy: 0.5968905127498454
Energy: 0.41122159328398905
Energy: 0.3799786620633015
Energy: 0.511401783779298
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Energy: 0.38068177925199925
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Energy: 0.4036621203745355
Energy: 0.39937424670275035
Energy: 0.37516525269665907
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Energy: 0.4375510315887899
Energy: 0.5558952792391049
Energy: 0.3726537964258499
Energy: 0.3692356902587969
Energy: 0.3642321339056586
Energy: 0.3758885956174538
Energy: 0.3641052280194103
Energy: 0.48980627413877165
Energy: 0.45402077687315806
Energy: 0.3811050397404609
Energy: 0.45904265897787505
Energy: 0.37802671237779795
Energy: 0.37261537395303723
Energy: 0.5548178189340638
Energy: 0.40920095973853354
Energy: 0.4005382195996311
Energy: 0.3949852089665597
Energy: 0.44086419229991786
Energy: 0.39983413450483096
Energy: 0.5175654035007196
Energy: 0.3780592119330115
Energy: 0.38731662009156065
Energy: 0.5184518151522758
Energy: 0.3652134245120106
Energy: 0.44520339938840164
Energy: 0.3637379960544018
Energy: 0.40915373750508854
Energy: 0.4009728894463353
Energy: 0.36430035770054275
Energy: 0.3758809155156261
Energy: 0.4000651036647784
Energy: 0.3730517118885663
Energy: 0.36838711977456523
Energy: 0.3636155373774553
Energy: 0.363552390445462
Energy: 0.3673761779032443
Energy: 0.3666258392040492
Energy: 0.4312402893149084
Energy: 0.3661359533076928
Energy: 0.365178305544525
Energy: 0.4322197142115294
Energy: 0.3664878923933624
Energy: 0.3665651694212846
Energy: 0.41484262232866553
Energy: 0.3644131218582615
Energy: 0.36608310983023784
Energy: 0.37535891682416583
Energy: 0.3788763676859453
Energy: 0.3512871353320774

minimum gb energy = 0.3512452632843384 eV
minimum distance =  2.72719179528369 Angstroms
sigma value = 41


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

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Energy: 0.4366427910368332
Energy: 0.4221452442781699
Energy: 0.45686226127813795
Energy: 0.4365244463656085
Energy: 0.4569595281949485
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Energy: 0.4074276912442446
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Energy: 0.38914465872342024
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Energy: 0.38821751820324085
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Energy: 0.5086383906876756
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Energy: 0.42226836397251444
Energy: 0.5082354324124075
Energy: 0.4201325412129251
Energy: 0.4375022287020254
Energy: 0.39171653168796167
Energy: 0.3895829773653674
Energy: 0.39146734353524054
Energy: 0.3928390598045569
Energy: 0.3893839626686679
Energy: 0.40749133931371717
Energy: 0.42130056149352124
Energy: 0.3935462848635345
Energy: 0.4029434652730474
Energy: 0.42144418789367416
Energy: 0.3750715934514254
Energy: 0.4375571250227415
Energy: 0.39218266600522805
Energy: 0.3897009728839956
Energy: 0.3923597485102814
Energy: 0.3938410367212318
Energy: 0.38920056623822047
Energy: 0.5730386789570001
Energy: 0.3965232249438222
Energy: 0.39476390487352947
Energy: 0.3923251074719369
Energy: 0.3927435369267737
Energy: 0.3947502605491639
Energy: 0.5729745347405394
Energy: 0.39931991166357056
Energy: 0.38882077864805625
Energy: 0.5197565032611897
Energy: 0.3929919389514703
Energy: 0.3887399750240929
Energy: 0.436819543628654
Energy: 0.385897955061267
Energy: 0.3927322652440213
Energy: 0.39379687423467397
Energy: 0.37402142727241783
Energy: 0.3947532467096892
Energy: 0.3929967990793718
Energy: 0.4124784444213311
Energy: 0.41285292858241435
Energy: 0.39311419990328084
Energy: 0.5284979110909752
Energy: 0.4131509066873639
Energy: 0.4575941647478123
Energy: 0.3955582032301121
Energy: 0.392808371961854
Energy: 0.3940351680624806
Energy: 0.39184617855851284
Energy: 0.3929832505154449
Energy: 0.3928985541856434
Energy: 0.3883979002691537
Energy: 0.38753648731572155
Energy: 0.39289134081723576
Energy: 0.3877059057638056
Energy: 0.39142299364562366
Energy: 0.3915730561736772
Energy: 0.3924936805852558
Energy: 0.3894835155254854
Energy: 0.39447226540247604
Energy: 0.39235410068749865
Energy: 0.3926075388758908
Energy: 0.737760078311035
Energy: 0.3918691535824592
Energy: 0.37342891486961954
Energy: 0.6247096345930802
Energy: 0.3911562728393853
Energy: 0.39772459085856265

minimum gb energy = 0.3731887171685165 eV
minimum distance =  2.72966952295328 Angstroms
sigma value = 33


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

Energy: 0.5397097173798269
Energy: 0.4591740898720206
Energy: 0.49916019059186584
Energy: 0.4203559477661077
Energy: 0.4586229402033589
Energy: 0.4981492138334047
Energy: 0.4254533461651924
Energy: 0.41266142140192835
Energy: 0.4133440086733834
Energy: 0.4306309467009302
Energy: 0.4255777642655837
Energy: 0.4124367410978899
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Energy: 0.4249047647384611
Energy: 0.41347746945684266
Energy: 0.41116994110406074
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Energy: 0.42148098920807026
Energy: 0.411290726749531
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Energy: 0.42919397771815365
Energy: 0.4109601765972417
Energy: 0.47000209983006924
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Energy: 0.41127106303670546
Energy: 0.4366220036207665
Energy: 0.4269318695533715
Energy: 0.42632766487403
Energy: 0.41562841636101877
Energy: 0.41707822104531733
Energy: 0.4231369228706288
Energy: 0.41518695219988994
Energy: 0.9030963578442778
Energy: 0.4041983732265937
Energy: 0.40089912100623193
Energy: 0.40050222439587946
Energy: 0.4694632172193186
Energy: 0.4014954419828111

minimum gb energy = 0.39977416688606215 eV
minimum distance =  2.73033849296926 Angstroms
sigma value = 67


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

Energy: 0.6390083824690551
Energy: 0.4642582241100887
Energy: 0.45156476845940496
Energy: 0.46607800599441845
Energy: 0.4624887378174817
Energy: 0.45150751388978666
Energy: 0.4601185668390261
Energy: 0.43522219863208916
Energy: 0.4350868983392191
Energy: 0.4347922328984919
Energy: 0.4362827862079487
Energy: 0.4349695024909898
Energy: 0.45052742249404826
Energy: 0.4207844201048864
Energy: 0.4318954670479995
Energy: 0.432907527080057
Energy: 0.41788735714226577
Energy: 0.4319014508749848
Energy: 0.4506360717191246
Energy: 0.4324501229581313
Energy: 0.4320931000652087
Energy: 0.4308600545215427
Energy: 0.43266725725019667
Energy: 0.4319232307428754
Energy: 0.45878892316530506
Energy: 0.435656544644996
Energy: 0.43664815600810725
Energy: 0.45913090247974364
Energy: 0.43555595496087407
Energy: 0.43681396121381955
Energy: 0.45963495657786146
Energy: 0.43901027868219905
Energy: 0.43770697940084463
Energy: 0.4601530790253373
Energy: 0.4388994420118648
Energy: 0.43786220775003604
Energy: 0.48516205068774204
Energy: 0.43514883114059966
Energy: 0.4350621797388634
Energy: 0.41531714345276444
Energy: 0.4363066610743487
Energy: 0.43493012806004083

minimum gb energy = 0.41531714345276444 eV
minimum distance =  2.76073979925994 Angstroms
sigma value = 3


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

Energy: 0.6917666022943165
Energy: 0.5615306194170573
Energy: 0.5050026998655093
Energy: 0.48591577590063645
Energy: 0.843037876764298
Energy: 0.4964833471471748
Energy: 0.4907794232677909
Energy: 0.49168422898307795
Energy: 0.4920395808185854
Energy: 0.5136348935362263
Energy: 0.5303335614175505
Energy: 0.49179272567639515
Energy: 0.5279558773074973
Energy: 0.4954980035581509
Energy: 0.49554823499898026
Energy: 0.5279237023379089
Energy: 0.49572774041841594
Energy: 0.4913813089458616
Energy: 0.4906157198012738
Energy: 0.4911580648494969
Energy: 0.4907816099724775
Energy: 0.4913212763425419
Energy: 0.49597201190871565
Energy: 0.49041007497630557
Energy: 0.4981261129416027
Energy: 0.48838887660530816
Energy: 0.4912656683169213
Energy: 0.48920026530777316
Energy: 0.49776703005860007
Energy: 0.48940699035245583
Energy: 0.48974371019018104
Energy: 0.4893175368400319
Energy: 0.48980269115131864
Energy: 0.4901141288321762
Energy: 0.48178896579985825
Energy: 0.48928126846660935
Energy: 0.4912928410150094
Energy: 0.4868162812879494
Energy: 0.48843613809695113
Energy: 0.48882292579434017
Energy: 0.5040405495395658
Energy: 0.49613524026641975
Energy: 0.6785779087865897
Energy: 0.5322058829015387
Energy: 0.5332403377570339
Energy: 0.4863789938507499
Energy: 0.5260342521842658
Energy: 0.5238010299778212
Energy: 0.49307047240509627
Energy: 0.49110676222673677
Energy: 0.49873907542610546
Energy: 0.49130329765896424
Energy: 0.4844566451269507
Energy: 0.5071875802828502
Energy: 0.4947542259859674
Energy: 0.48494528445775226
Energy: 0.4842008112528813
Energy: 0.5387424153720494
Energy: 0.48507241579422733
Energy: 0.49111521451470924
Energy: 0.5081996761919543
Energy: 0.48881024001150414
Energy: 0.4912321109365918
Energy: 0.5087982882056934
Energy: 0.48263298804766597
Energy: 0.49589757835099524
Energy: 0.49026721194902917
Energy: 0.488048892350197
Energy: 0.48718152863381836
Energy: 0.48857269025361305
Energy: 0.49250005439816547
Energy: 0.4864483875632492
Energy: 0.5021731346025708
Energy: 0.487813126692109
Energy: 0.48618907997452276
Energy: 0.4848383506752026
Energy: 0.48695369289753415
Energy: 0.48667626253776586
Energy: 0.5292866491969233
Energy: 0.49085604704009644
Energy: 0.48762612794524135
Energy: 0.4976272723617184
Energy: 0.4885317840125608
Energy: 0.48774238796294844
Energy: 0.5233418297815455
Energy: 0.4917104046579731
Energy: 0.49211259814119956
Energy: 0.49478585826465177
Energy: 0.4924830447349353
Energy: 0.4891440666621739
Energy: 0.4975047876186076
Energy: 0.49357305760752895
Energy: 0.4925546569709859
Energy: 0.5099176681929031
Energy: 0.5267893586689462
Energy: 0.492395471841535
Energy: 0.5576747090300308
Energy: 0.49675259807457933
Energy: 0.4889680576179736
Energy: 0.5579711713618982
Energy: 0.49584992848364895
Energy: 0.48247613028290776
Energy: 0.4929399971597154
Energy: 0.49167043969028573
Energy: 0.486722774928244
Energy: 0.5063556996781579
Energy: 0.4952184099928335
Energy: 0.48911779725160065
Energy: 0.5707597439021839
Energy: 0.4909170208061749
Energy: 0.49112889432232343
Energy: 0.4882310790422313
Energy: 0.5165721958299955
Energy: 0.48582079156052194
Energy: 0.5460517303085258
Energy: 0.4899786697921269
Energy: 0.489664224343727
Energy: 0.48779153238523654
Energy: 0.4954703483855759
Energy: 0.4841664533106848
Energy: 0.49741367209278947
Energy: 0.4890708991001368
Energy: 0.48861276335517745
Energy: 0.488578920550699
Energy: 0.4885601848636578
Energy: 0.48630943134427373
Energy: 0.4983842049033457
Energy: 0.5019693104840794
Energy: 0.4876678678544453
Energy: 0.49812355069606906
Energy: 0.4906697749632063
Energy: 0.4896885708041628
Energy: 0.5044400981825252
Energy: 0.4969837456757967
Energy: 0.5039422844620401
Energy: 0.5043710363704887
Energy: 0.5043718435459035
Energy: 0.5015053449766649
Energy: 0.499946830463551
Energy: 0.48563932312717517
Energy: 0.48629927852096455
Energy: 0.5003633417260231
Energy: 0.4860542976615277
Energy: 0.4996219168330034
Energy: 0.502210533480564
Energy: 0.5002560703591494
Energy: 0.4971759298020368
Energy: 0.48738235896674753
Energy: 0.4892769053896263
Energy: 0.4977379606176069
Energy: 0.5850010546677179
Energy: 0.4849603704514093
Energy: 0.48479023658586773
Energy: 0.4814335934179919
Energy: 0.4858519513404408
Energy: 0.4965995517001956
Energy: 0.4780090496955005
Energy: 0.4847305734919632
Energy: 0.5077676636179674
Energy: 0.48034350398739617
Energy: 0.48456280322955264
Energy: 0.4969595559394081
Energy: 0.5040811764149294
Energy: 0.4967081252488762
Energy: 0.49712362754799627
Energy: 0.4888125189357596
Energy: 0.500619565033099
Energy: 0.49788943512796086
Energy: 0.5095940434517343
Energy: 0.4960153846785862
Energy: 0.49590884188505374
Energy: 0.5013900373291558
Energy: 0.49636999404295495
Energy: 0.5030461571309358
Energy: 0.5015337425680639
Energy: 0.5020313951862088
Energy: 0.5031860288332545
Energy: 0.5026092671708379
Energy: 0.5010165684416747
Energy: 0.5041105296931608
Energy: 0.500330819276168
Energy: 0.5024257143438547
Energy: 0.502392977572584
Energy: 0.5007698718083767
Energy: 0.5499869675063619
Energy: 0.5037061269894907
Energy: 0.5065644107011519
Energy: 0.4955313426116286
Energy: 0.496191978824196
Energy: 0.4902895760718147
Energy: 0.4940047895156067
Energy: 0.49661725440719
Energy: 0.5727323446184461
Energy: 0.4908581252474377
Energy: 0.5015503583956036
Energy: 0.48705593531290714
Energy: 0.5286757085258971
Energy: 0.4883073373401029
Energy: 0.4846191791608748
Energy: 0.4868200877613978
Energy: 0.4859762429283091
Energy: 0.49171803521294416
Energy: 0.48704007157534096
Energy: 0.48584989618098057
Energy: 0.4969704840116135
Energy: 0.5022122976354576
Energy: 0.5081364169340961
Energy: 0.4931235321627838
Energy: 0.48159404585227544
Energy: 0.5060629369522062
Energy: 0.5195611135026478
Energy: 0.48473586012031566
Energy: 0.4842604272586662
Energy: 0.5198730501328802
Energy: 0.48522713586630173
Energy: 0.4910248970426783
Energy: 0.4974948291945018
Energy: 0.48703369292409604
Energy: 0.48653029470742765
Energy: 0.49775057640188325
Energy: 0.4800842597055486
Energy: 0.48489061733230077
Energy: 0.5012770392049539
Energy: 0.4872837332941597
Energy: 0.4868830465666157
Energy: 0.4847852517031895
Energy: 0.487836245054343
Energy: 0.4879046917993807
Energy: 0.5035705454981607
Energy: 0.48717210854845666
Energy: 0.48647929739637813
Energy: 0.5017205577987052
Energy: 0.4914152995194553
Energy: 0.4869415675755568
Energy: 0.5274006840778941
Energy: 0.48781571557084535
Energy: 0.4878705252563757
Energy: 0.4942474574413129
Energy: 0.4899257506645616
Energy: 0.4884028531515111
Energy: 0.4870415679379218
Energy: 0.48806353851269935
Energy: 0.48864949125533447
Energy: 0.5070209704263072
Energy: 0.513962165581339
Energy: 0.4879589302793391
Energy: 0.5471459765214831
Energy: 0.4915292239634214
Energy: 0.49434874302577864
Energy: 0.5247468042379383
Energy: 0.486367805417674
Energy: 0.4935420723013589
Energy: 0.5600289924453727
Energy: 0.49528358091247415
Energy: 0.4937016865121212
Energy: 0.5743661264477126
Energy: 0.4953659815937332
Energy: 0.4821321768029825
Energy: 0.49347789511525697
Energy: 0.48991145057142677
Energy: 0.4878783774309258
Energy: 0.4915803376284304
Energy: 0.49200205104569406
Energy: 0.48754952671451135
Energy: 0.6450850806627432
Energy: 0.4849090459953057
Energy: 0.5207004666549138
Energy: 0.5386550076484191
Energy: 0.4838650024112698
Energy: 0.5197755881472725
Energy: 0.4948356073262108
Energy: 0.49084926589021866
Energy: 0.49087945501985636
Energy: 0.49319924087822453
Energy: 0.49380896477877306
Energy: 0.4906670744061892
Energy: 0.48521800568501094
Energy: 0.48794530789293666
Energy: 0.48672202533698594
Energy: 0.4876637730402686
Energy: 0.48496803469086075
Energy: 0.4860648345148651
Energy: 0.4839135150670711
Energy: 0.4881335697864673
Energy: 0.48956515786703336
Energy: 0.48389599840744296
Energy: 0.48294827121391076
Energy: 0.4884406464006579
Energy: 0.4864006591286253
Energy: 0.4846024280646929
Energy: 0.4859132917000081
Energy: 0.4867826441318298
Energy: 0.4849561142312396
Energy: 0.4858485075308797
Energy: 0.49234033138279965
Energy: 0.48472976111779575
Energy: 0.48513256627770585
Energy: 0.49698559659431296
Energy: 0.4855074486007805
Energy: 0.49085876824200403
Energy: 0.49450461658339884
Energy: 0.5159453619143293
Energy: 0.49221129722623047
Energy: 0.5037151991725113
Energy: 0.5085017573956101
Energy: 0.4930165851423468

minimum gb energy = 0.4780090496955005 eV
minimum distance =  2.71653342620409 Angstroms
sigma value = 81


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

Energy: 0.9342988595373789
Energy: 0.503259768443603
Energy: 0.4672519401453094
Energy: 0.4701155280122172
Energy: 0.5028858574679089
Energy: 0.4673314576392917
Energy: 0.488326653436082
Energy: 0.49526352901793774
Energy: 0.4959437388726241
Energy: 0.4947207370235299
Energy: 0.47875219275611264
Energy: 0.5009544383040508
Energy: 0.49425896382819845
Energy: 0.47642353353039646
Energy: 0.4778156433022928
Energy: 0.4916713014810903
Energy: 0.4789134431477081
Energy: 0.5059366831147502
Energy: 0.48933183216509096
Energy: 0.4785519730828244
Energy: 0.48864334703703544
Energy: 0.4893375547687478
Energy: 0.4701950644960277
Energy: 0.4926671195495926
Energy: 0.4900935506027123
Energy: 0.49046346625167864
Energy: 0.48961662680699186
Energy: 0.4901722853063938
Energy: 0.49656903408318714
Energy: 0.49443678291663173
Energy: 0.4917168911887853
Energy: 0.4951983507220385
Energy: 0.4946848814572209
Energy: 0.4975973736298634
Energy: 0.496194396212415
Energy: 0.49469349201966395
Energy: 0.488329134272013
Energy: 0.49145314750856245
Energy: 0.4833200696623706
Energy: 0.48927208635479463
Energy: 0.4942679277902444
Energy: 0.4943420350989465
Energy: 0.5445758873409975
Energy: 0.533623733137926
Energy: 0.5212109712657329
Energy: 0.47626824870788437
Energy: 0.5789493341945494
Energy: 0.4973814622216371
Energy: 0.48206790788391585
Energy: 0.48349504253019543
Energy: 0.4923361226050192
Energy: 0.4892632732020254
Energy: 0.470795098948427
Energy: 0.4884755628223345
Energy: 0.4841817694089762
Energy: 0.4439304895005822
Energy: 0.44475931165557736
Energy: 0.4846111659260934
Energy: 0.4441401427763283
Energy: 0.44742680107633903
Energy: 0.489386886793876
Energy: 0.45226508463893167
Energy: 0.44469611298790085
Energy: 0.493197165060721
Energy: 0.4447709851206083
Energy: 0.4877377952552317
Energy: 0.47096684114473675
Energy: 0.4831420951585893
Energy: 0.48008104790632705
Energy: 0.4738659597549368
Energy: 0.4764863642924486
Energy: 0.48002336190109085
Energy: 0.4697721412761958
Energy: 0.5021478872765388
Energy: 0.49296654444024923
Energy: 0.46995381231769073
Energy: 0.49838774928033197
Energy: 0.4777494468086743
Energy: 0.46956984636917043
Energy: 0.47493784774829084
Energy: 0.5018207856576291
Energy: 0.4912366403385433
Energy: 0.4748164469474964
Energy: 0.4992258219241704
Energy: 0.594219206497699
Energy: 0.5021392342079737
Energy: 0.5063887390143508
Energy: 0.5049961818821898
Energy: 0.514433973771679
Energy: 0.506682998910344
Energy: 0.5042199929174238
Energy: 0.5003140577391683
Energy: 0.5006605503205853
Energy: 0.5043815587732521
Energy: 0.5008773305746163
Energy: 0.5010800295877
Energy: 0.5418504533867087
Energy: 0.4829205532746603
Energy: 0.47634099112643463
Energy: 0.5420835986257974
Energy: 0.47653080703572326
Energy: 0.4884965787866309
Energy: 0.48346710181722385
Energy: 0.48529304285806607
Energy: 0.4975925107274022
Energy: 0.4658438601044949
Energy: 0.48540933745983034
Energy: 0.4987770612048301
Energy: 0.4499689846484023
Energy: 0.483468811327237
Energy: 0.44518030970150274
Energy: 0.45509893704095966
Energy: 0.4969682741075094
Energy: 0.4444367695842447
Energy: 0.448897990112597
Energy: 0.48434270890900055
Energy: 0.4447075448616252
Energy: 0.459123398984549
Energy: 0.49840792583790433
Energy: 0.444383096659152
Energy: 0.48397964931236226
Energy: 0.48515281798522747
Energy: 0.4726755601627121
Energy: 0.46605349575280947
Energy: 0.48502675331494943
Energy: 0.4804847993764913
Energy: 0.4987171793611807
Energy: 0.4772721577780062
Energy: 0.48981558073799664
Energy: 0.4988967335879462
Energy: 0.4772783332243592
Energy: 0.4895977967470682
Energy: 0.497867865677441
Energy: 0.49685769709401056
Energy: 0.4973225136685907
Energy: 0.4979125738108549
Energy: 0.4841191954341848
Energy: 0.4976900021669356
Energy: 0.48813102711421513
Energy: 0.5071053370718291
Energy: 0.5042363440007095
Energy: 0.5033658670595144
Energy: 0.4757721450100191
Energy: 0.5043176897750126
Energy: 0.5017781404560988
Energy: 0.48587095406658437
Energy: 0.5015981796939893
Energy: 0.5042925516175456
Energy: 0.48499733082897395
Energy: 0.5010126528878224
Energy: 0.5438673597267263
Energy: 0.5099411942571819
Energy: 0.5199848351235639
Energy: 0.4709762395706918
Energy: 0.509580825568408
Energy: 0.5203296400194993
Energy: 0.49595056723319486
Energy: 0.5207928574565873
Energy: 0.49017997480974734
Energy: 0.49429890809953353
Energy: 0.5206693751773755
Energy: 0.4904507034164356
Energy: 0.4849871428228203
Energy: 0.4626557678445662
Energy: 0.4849799171996742
Energy: 0.4881776544366781
Energy: 0.45363020920299935
Energy: 0.48754849410121615
Energy: 0.5035600461446305
Energy: 0.44471080508825866
Energy: 0.4445441928262635
Energy: 0.5049131661089846
Energy: 0.4441814110504086
Energy: 0.4462011099446718
Energy: 0.48663016800118825
Energy: 0.48380267143664296
Energy: 0.48336667381363063
Energy: 0.48993144563220087
Energy: 0.4712061308188271
Energy: 0.48842616036122394
Energy: 0.4703511326979627
Energy: 0.4952229444196999
Energy: 0.48170547895078913
Energy: 0.4789773004632052
Energy: 0.5140454933479165
Energy: 0.477679946704512
Energy: 0.4948387895682181
Energy: 0.48742078911541376
Energy: 0.4743362506187392
Energy: 0.48970183070036105
Energy: 0.48705396048742
Energy: 0.48117074199704807
Energy: 0.49492428951886724
Energy: 0.4925087209624456
Energy: 0.4926926896268078
Energy: 0.5013492904170094
Energy: 0.4909725294872971
Energy: 0.4928744176794167
Energy: 0.49518067520290865
Energy: 0.49060330371885114
Energy: 0.4910062234348665
Energy: 0.5015037736077937
Energy: 0.49689044258680526
Energy: 0.4972303154508003
Energy: 0.4968944641910852
Energy: 0.49284950936879207
Energy: 0.4972488856725924
Energy: 0.49712444955660307
Energy: 0.4703530012377448
Energy: 0.5054785718419874
Energy: 0.576704419974193
Energy: 0.48231784816811885
Energy: 0.4826695846349579
Energy: 0.5707997065194653
Energy: 0.4816821883655211
Energy: 0.5379647907905241
Energy: 0.48848908737848845
Energy: 0.4950582713162932
Energy: 0.4957923068844986
Energy: 0.49446520902284397
Energy: 0.47875828102270146
Energy: 0.5008274092177567
Energy: 0.5876935771629122
Energy: 0.47510384897378033
Energy: 0.4675516311703539
Energy: 0.46039366529619064
Energy: 0.4863991152929894
Energy: 0.46842876416068635

minimum gb energy = 0.4439304895005822 eV
minimum distance =  2.70856913602894 Angstroms
sigma value = 43


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

Energy: 0.7395229827632838
Energy: 0.5276846160571338
Energy: 0.5202063443992833
Energy: 0.47909569406962205
Energy: 0.5671324744331169
Energy: 0.47846622155740287
Energy: 0.4673426053897838
Energy: 0.4833837699336315
Energy: 0.4905807786645432
Energy: 0.506281146027284
Energy: 0.4687211592908654
Energy: 0.469523134201855
Energy: 0.4659263993105739
Energy: 0.4587185291267958
Energy: 0.4589880625795294
Energy: 0.4922974021005509
Energy: 0.45967621082796895
Energy: 0.4680762054287729
Energy: 0.4675704913923186
Energy: 0.46002932899002236
Energy: 0.470653161677396
Energy: 0.4678918608027014
Energy: 0.4766818365136045
Energy: 0.4687228025461757
Energy: 0.4672066885919537
Energy: 0.46940686131322806
Energy: 0.47180326904924064
Energy: 0.46745031940727266
Energy: 0.4712290730044873
Energy: 0.4705273640856485
Energy: 0.4671480802625012
Energy: 0.47126348966493997
Energy: 0.4695192717594644
Energy: 0.4702759722302987
Energy: 0.4703536301211492
Energy: 0.4686444558968073
Energy: 0.4680949172356177
Energy: 0.4686651172938072
Energy: 0.46853815307125435
Energy: 0.46758836068949267
Energy: 0.4679714782301939
Energy: 0.4700113603614788
Energy: 0.5369651780993312
Energy: 0.4677903142459916
Energy: 0.46757839239719096
Energy: 0.4867961258907284
Energy: 0.46740879231233184
Energy: 0.46924618273871616
Energy: 0.46581501807661385
Energy: 0.4656269430815869
Energy: 0.4657828868720826
Energy: 0.46623517335233
Energy: 0.4657242418913143
Energy: 0.4691624922144715
Energy: 0.5688390757559292
Energy: 0.47124933397591157
Energy: 0.47109712756617417
Energy: 0.5594611677819273
Energy: 0.4763099881406847
Energy: 0.4717636821457394
Energy: 0.48213784611522204
Energy: 0.4829012674218753
Energy: 0.49439975136533215
Energy: 0.4664011095030419
Energy: 0.4731883198923014
Energy: 0.4881483630547917
Energy: 0.4731497869902151
Energy: 0.4679847352609561
Energy: 0.4684831102818604
Energy: 0.4598926201058099
Energy: 0.4650795066471121
Energy: 0.4690013052988534
Energy: 0.4876331984152538
Energy: 0.46745747918011266
Energy: 0.47589093424474394
Energy: 0.4621757975037943
Energy: 0.4857509971346472
Energy: 0.4759005469652608
Energy: 0.4784987382580298
Energy: 0.4691087794701324
Energy: 0.4651429653444402
Energy: 0.4659636498631533
Energy: 0.4671687149865318
Energy: 0.48873004686293986
Energy: 0.48291601560367803
Energy: 0.47804411254626805
Energy: 0.49202872260926506
Energy: 0.4831300488668249
Energy: 0.46872778587090425
Energy: 0.49177885545613015
Energy: 0.4778151896966396
Energy: 0.47213129593878805
Energy: 0.4792031635502323
Energy: 0.47776646915261256
Energy: 0.4744009103165006
Energy: 0.4777073481008219
Energy: 0.4700844696039747
Energy: 0.49458184017085477
Energy: 0.4944363788957609
Energy: 0.46981923535986225
Energy: 0.48435582643538255
Energy: 0.4946406541903795
Energy: 0.4755553885230171
Energy: 0.4942648872829111
Energy: 0.48714919746607493
Energy: 0.48819715285663984
Energy: 0.48418824157789797
Energy: 0.4870716314925949
Energy: 0.4667567478295251
Energy: 0.47601901946791486
Energy: 0.47711764949941454
Energy: 0.47330575121001345
Energy: 0.4766020915877989
Energy: 0.46964712094926525
Energy: 0.46683657110810073
Energy: 0.4763997480813197
Energy: 0.478054719051338
Energy: 0.47534918690752886
Energy: 0.47697448797791675
Energy: 0.4696629894260857
Energy: 0.47549531721164545
Energy: 0.4897929045835008
Energy: 0.48468827630740274
Energy: 0.48904379010642623
Energy: 0.47635719322085424
Energy: 0.48756805829136485
Energy: 0.5243686660077876
Energy: 0.4771246970917119
Energy: 0.47706454329550313
Energy: 0.524383534368683
Energy: 0.4643147567756266
Energy: 0.5256048744240416
Energy: 0.48110885713245405
Energy: 0.48341515681488195
Energy: 0.48922311956448455
Energy: 0.48875647559864477
Energy: 0.4843354543094056
Energy: 0.4906278596822899
Energy: 0.5499445862149606
Energy: 0.477051466357969
Energy: 0.4861067698236971
Energy: 0.4855107810472627
Energy: 0.4681647376992881
Energy: 0.4858961195513847
Energy: 0.48330246317058984
Energy: 0.4759418613827413
Energy: 0.4764791412444067
Energy: 0.4842708351381918
Energy: 0.47642050926865787
Energy: 0.48589638953900677
Energy: 0.5078756430942558
Energy: 0.48664254021282494
Energy: 0.48576884884870186
Energy: 0.48478658578552547
Energy: 0.4817459647937458
Energy: 0.48570371310231236
Energy: 0.5075482440650362
Energy: 0.4863853107858485
Energy: 0.48606815579965457
Energy: 0.46635138782448327
Energy: 0.4843968862283732
Energy: 0.48709684142446263
Energy: 0.5103353118307302
Energy: 0.47370523692225464
Energy: 0.46558301347437325
Energy: 0.46526251877292807
Energy: 0.4678249390642815
Energy: 0.4689562590804329
Energy: 0.4648231474922401
Energy: 0.4691116417751406
Energy: 0.468975041938858
Energy: 0.4646334665068096
Energy: 0.4865919669990561
Energy: 0.46902215749446474
Energy: 0.4676330377883756
Energy: 0.469901763053638
Energy: 0.4735705439400956
Energy: 0.5059222958856346
Energy: 0.46868161876435316
Energy: 0.46928720177647143
Energy: 0.46789803525060336
Energy: 0.51537467273732
Energy: 0.4846824804800021
Energy: 0.478438626754675
Energy: 0.555026695904959
Energy: 0.4875911303717836

minimum gb energy = 0.4587185291267958 eV
minimum distance =  2.7089338198811 Angstroms
sigma value = 57


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

Energy: 0.5938524781270956
Energy: 0.5527811138306054
Energy: 0.48588662830394796
Energy: 0.4609998005008512
Energy: 0.5524557647223346
Energy: 0.48566341035452015
Energy: 0.4827230083545224
Energy: 0.4915999382492978
Energy: 0.46586246672298814
Energy: 0.4633326432071935
Energy: 0.4789878229849591
Energy: 0.4719581581768236
Energy: 0.4616719219060727
Energy: 0.4421390330474925
Energy: 0.4460377886239131
Energy: 0.4807740067429405
Energy: 0.4424428122309833
Energy: 0.44728127657750444
Energy: 0.48214800980956435
Energy: 0.442388395064635
Energy: 0.44551105671795727
Energy: 0.48266122761687374
Energy: 0.44429161246675347
Energy: 0.46220006373155553
Energy: 0.4888474142629832
Energy: 0.4602604803351296
Energy: 0.4598571650015691
Energy: 0.4888906767235381
Energy: 0.4692680550274098
Energy: 0.46003207732073315
Energy: 0.4466247145632997
Energy: 0.4593071049905252
Energy: 0.45927684601003693
Energy: 0.4613792945960901
Energy: 0.46601807336267387
Energy: 0.4623657884089034
Energy: 0.4638153447818231
Energy: 0.4834715851729157
Energy: 0.482627448619357
Energy: 0.4609913466588766
Energy: 0.483978739368961
Energy: 0.46984695865084547
Energy: 0.4901272815990197
Energy: 0.4712627272732758
Energy: 0.4626987120616426
Energy: 0.46540782582506607
Energy: 0.476704567204055
Energy: 0.46240566461897825
Energy: 0.46392278738451515
Energy: 0.4836352590259763
Energy: 0.48241492260764773
Energy: 0.4626519203635638
Energy: 0.4902685093705659
Energy: 0.47253268726643827
Energy: 0.5233819175479021
Energy: 0.482027479107773
Energy: 0.4828407933329157
Energy: 0.4632580325887657
Energy: 0.4705185118797379
Energy: 0.4827853944247158
Energy: 0.4638446653045961
Energy: 0.4652357832147378
Energy: 0.4711411769317667
Energy: 0.4763461679034617
Energy: 0.4918652429376559
Energy: 0.48057221838870456
Energy: 0.45804346016085895
Energy: 0.4885319726373705
Energy: 0.4825551411625164
Energy: 0.4596717773470894
Energy: 0.4776902399864371
Energy: 0.4786125687502051
Energy: 0.4582320526329431
Energy: 0.48118440340673874
Energy: 0.4791985098221803
Energy: 0.44608956326722576
Energy: 0.46146373473382596
Energy: 0.47837647328612815
Energy: 0.4629700529487117
Energy: 0.4708217952836573
Energy: 0.472002855940146
Energy: 0.4788159150303256
Energy: 0.461193663942565
Energy: 0.4656287548061037
Energy: 0.4686405161148052
Energy: 0.45462182776634713
Energy: 0.45806226253975774
Energy: 0.46482174434549
Energy: 0.44614900780643796
Energy: 0.457358979416493
Energy: 0.4848782303816191
Energy: 0.4693536465293438
Energy: 0.4700291376195857
Energy: 0.4853465046756684
Energy: 0.46533740876023816
Energy: 0.4698456363309246
Energy: 0.49062778469296897
Energy: 0.45950046246981924
Energy: 0.4595412869737043
Energy: 0.4670680687131991
Energy: 0.4597009087599266
Energy: 0.4574451980129508
Energy: 0.4909874194049277
Energy: 0.4692740405928742
Energy: 0.4664765897339992
Energy: 0.4668623020038249
Energy: 0.48916825905305444
Energy: 0.4610700517606296
Energy: 0.49639663093290237
Energy: 0.48328485673885285
Energy: 0.4599027113307843
Energy: 0.47297178772992216
Energy: 0.48219320620835354
Energy: 0.4911888953390744
Energy: 0.4969664288657725
Energy: 0.482111011493922
Energy: 0.48281672568851886
Energy: 0.46657781907374746
Energy: 0.48201300658808605
Energy: 0.48065847313082843
Energy: 0.476466657254643
Energy: 0.49002604201298827
Energy: 0.4722735078199527
Energy: 0.4771940397458753
Energy: 0.49191012019697383
Energy: 0.470404460516514
Energy: 0.5157226883431474
Energy: 0.47730472453778106
Energy: 0.46484783232618604
Energy: 0.5155384183015673
Energy: 0.47689735319762533
Energy: 0.46472510664500905
Energy: 0.4624527483059286
Energy: 0.48413460676328424
Energy: 0.4879919283935749
Energy: 0.47757090457390594
Energy: 0.46103112344595515
Energy: 0.46677857708357096
Energy: 0.45827044395563543
Energy: 0.4810117344480796
Energy: 0.47810996338241224
Energy: 0.46583245541883295
Energy: 0.4623171447134358
Energy: 0.4779146192837329

minimum gb energy = 0.4421390330474925 eV
minimum distance =  2.71210087827807 Angstroms
sigma value = 17


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

Energy: 0.4396807970337036
Energy: 0.5009681986409171
Energy: 0.5757922111230644
Energy: 0.4808014429509028
Energy: 0.5255504000043373
Energy: 0.4510866835440685
Energy: 0.5341880394151777
Energy: 0.5113865144364074
Energy: 0.5135883393152839
Energy: 0.5195505135025028
Energy: 0.5119048153343291
Energy: 0.464461139711454
Energy: 0.5070208718843543
Energy: 0.43616392815709304
Energy: 0.4363694993829854
Energy: 0.5026807092211031
Energy: 0.4360808206103873
Energy: 0.4496947847475641
Energy: 0.5206145176131153
Energy: 0.4506351103537061
Energy: 0.45047765484844354
Energy: 0.5208595084857727
Energy: 0.42038747210883226
Energy: 0.4701330199074123
Energy: 0.45533023040453435
Energy: 0.43837197980739334
Energy: 0.43060136899338913
Energy: 0.45454679753306826
Energy: 0.44548677201748743
Energy: 0.43224530105376124
Energy: 0.45246836118022404
Energy: 0.4472082370970637
Energy: 0.4345023541991224
Energy: 0.4265611881425776
Energy: 0.4531596460012437
Energy: 0.42611533694637954
Energy: 0.4506251544313257
Energy: 0.4487098900852427
Energy: 0.44891454779462586
Energy: 0.4500002091672049
Energy: 0.4517880092771962
Energy: 0.43393863499308655
Energy: 0.4375325940407894
Energy: 0.4192840920818005
Energy: 0.4193849451109746
Energy: 0.4208333223690631
Energy: 0.419046708595162
Energy: 0.41914732243445724
Energy: 0.4505119041681294
Energy: 0.42098413020119546
Energy: 0.4211283720012948
Energy: 0.451582367283325
Energy: 0.44803521734356916
Energy: 0.45063185181516163
Energy: 0.45367876054012657
Energy: 0.4343352999823562
Energy: 0.434285238948625
Energy: 0.4531725215829789
Energy: 0.4305376642910812
Energy: 0.4411086889096007
Energy: 0.4496710858485476
Energy: 0.43267458698983174
Energy: 0.4312424854096049
Energy: 0.44574790979344203
Energy: 0.454718413349294
Energy: 0.4302059623499449
Energy: 0.4552347284968621
Energy: 0.5174150085585849
Energy: 0.5175773639066231
Energy: 0.4548366521128773
Energy: 0.5172572721390564
Energy: 0.5069462131343629
Energy: 0.45423358340796116
Energy: 0.49745228060157626
Energy: 0.49808691638596314
Energy: 0.4308829129615138
Energy: 0.501434268185146
Energy: 0.49813201780697
Energy: 0.5208708186917826
Energy: 0.517994471873846
Energy: 0.5114186977964827
Energy: 0.5197900283278368
Energy: 0.5185198979081096
Energy: 0.46461434819325115
Energy: 0.48927699801754226
Energy: 0.5047916568797577
Energy: 0.5147777762589714
Energy: 0.5068064668841052
Energy: 0.49976762730347174
Energy: 0.5041343774151702
Energy: 0.5818478814249891
Energy: 0.5149084394083836
Energy: 0.460869502131275
Energy: 0.511901489981236
Energy: 0.5146767959292955
Energy: 0.5133068595481668
Energy: 0.4349883716057901
Energy: 0.5030800695918503
Energy: 0.5380507345845104
Energy: 0.4326275351783148
Energy: 0.5024837446067576
Energy: 0.5381088823629921

minimum gb energy = 0.419046708595162 eV
minimum distance =  2.69354798950822 Angstroms
sigma value = 17


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

Energy: 0.4374625264379726
Energy: 0.5817672964860994
Energy: 0.4536676681245745
Energy: 0.42442184146238066
Energy: 0.6307049480097621
Energy: 0.4773018877357656
Energy: 0.5184828710987641
Energy: 0.5296442887010612
Energy: 0.44848552120580837
Energy: 0.49002763607081185
Energy: 0.5358505407718803
Energy: 0.44556484486162123
Energy: 0.644277296113687
Energy: 0.4188240164802044
Energy: 0.44029965798479626
Energy: 0.4903966327150577
Energy: 0.41879905347101526
Energy: 0.45372909270248646
Energy: 0.5400903368986729
Energy: 0.47809091901376205
Energy: 0.4776976330225831
Energy: 0.4862570587702738
Energy: 0.42532331732153966
Energy: 0.48124625261183857
Energy: 0.47526880606867833
Energy: 0.46252867329560776
Energy: 0.4315402069771693
Energy: 0.47570794655707493
Energy: 0.418814151336971
Energy: 0.4041499989976076
Energy: 0.43896827711524733
Energy: 0.4522519493489618
Energy: 0.41581038372270773
Energy: 0.4180865179836142
Energy: 0.4692297409928203
Energy: 0.4167243083217077
Energy: 0.4408197419282344
Energy: 0.4739311360436327
Energy: 0.4690202414478898
Energy: 0.4509681203688378
Energy: 0.4716127578608398
Energy: 0.4354142359272218
Energy: 0.4419030901250498
Energy: 0.4060091348547758
Energy: 0.43301950052536753
Energy: 0.43985254300441406
Energy: 0.40673335709182024
Energy: 0.4329676445907313
Energy: 0.44317275059081157
Energy: 0.42952682067371584
Energy: 0.43782067543358194
Energy: 0.44399409080998714
Energy: 0.44840230876319376
Energy: 0.44082093899246205
Energy: 0.44063153725142773
Energy: 0.43106800766310327
Energy: 0.4307989828383352
Energy: 0.4407575884173396
Energy: 0.43061662330739964
Energy: 0.43364538300293504
Energy: 0.45008379846805635
Energy: 0.4414696398899095
Energy: 0.42686332959287043
Energy: 0.4293542067422458
Energy: 0.44060864900872726
Energy: 0.438009535226881
Energy: 0.44296483580746654
Energy: 0.4470447206116075
Energy: 0.44059856051079976
Energy: 0.4435593126933269
Energy: 0.44414705963315587
Energy: 0.4505893957758248
Energy: 0.4591480559993246
Energy: 0.43232672723237037
Energy: 0.43226357377473223
Energy: 0.43792190883692567
Energy: 0.4403698893288016
Energy: 0.43245478267781945
Energy: 0.4702218134513509
Energy: 0.43324670807744514
Energy: 0.4389869862563179
Energy: 0.471268092142063
Energy: 0.4409369401885493
Energy: 0.4693242056994028
Energy: 0.4692928596594189
Energy: 0.42365713842183067
Energy: 0.4228770995680672
Energy: 0.4694347597092186
Energy: 0.4226869780011876
Energy: 0.46719273347028456
Energy: 0.5451998868195627
Energy: 0.4643301750432549
Energy: 0.45508775975650406
Energy: 0.47596511522871043
Energy: 0.47885802039591996
Energy: 0.4544430416853078
Energy: 0.42586566437953544
Energy: 0.542971746183093
Energy: 0.5430662286196117
Energy: 0.42679835088481344
Energy: 0.5484776854707313
Energy: 0.4382589533636563
Energy: 0.4258369349636632
Energy: 0.5473693224189587
Energy: 0.5365818800947371
Energy: 0.42675093141811554
Energy: 0.5519739469658188
Energy: 0.43532840276289647
Energy: 0.5875000751053429
Energy: 0.5357668265138278
Energy: 0.4891091199441586
Energy: 0.5040756599386197
Energy: 0.4624116827606706
Energy: 0.4865872580508472
Energy: 0.6327203650330324
Energy: 0.4547726559758335
Energy: 0.45423530747672003
Energy: 0.5330651541264871
Energy: 0.4522339273132601
Energy: 0.5106195302127999
Energy: 0.63021041483859
Energy: 0.5361241089962419
Energy: 0.5373708597306988
Energy: 0.5122395768473215
Energy: 0.5402073449916867
Energy: 0.4579459634428416
Energy: 0.41631925537712505
Energy: 0.554402197732526
Energy: 0.5421594719188431
Energy: 0.3993841015199229
Energy: 0.5541423351893584
Energy: 0.4354365206213614
Energy: 0.41797521502954477
Energy: 0.5571196722565411
Energy: 0.5534231885400854
Energy: 0.41879263242899406
Energy: 0.5571553064525252
Energy: 0.48119008365924304
Energy: 0.6279040728155239
Energy: 0.42415774190077477
Energy: 0.480883778133729
Energy: 0.5403336994198421
Energy: 0.4351749006664815
Energy: 0.4974908849741811
Energy: 0.527198009634984
Energy: 0.424218320860376
Energy: 0.45537453408667905
Energy: 0.5286242957856289
Energy: 0.42436047179566944
Energy: 0.458383175234092
Energy: 0.5260539972128857
Energy: 0.4531464912874187
Energy: 0.4524300888971786
Energy: 0.5035658785197116
Energy: 0.46567645284664727
Energy: 0.47373263954312855
Energy: 0.41914585666992366
Energy: 0.46738982006067736
Energy: 0.4685161990998412
Energy: 0.4182006094541889
Energy: 0.467313415743011
Energy: 0.4182711878944921
Energy: 0.4222529259199276
Energy: 0.47577654234790195
Energy: 0.47108802632771224
Energy: 0.4226841402727945
Energy: 0.4743378941443566
Energy: 0.47100054377774375
Energy: 0.44315758413851175
Energy: 0.4337001433009912
Energy: 0.43536539044148787
Energy: 0.44046575241429753
Energy: 0.4465025334189013
Energy: 0.43555265846535673
Energy: 0.44873070089755024
Energy: 0.40615200087760694
Energy: 0.43666245091800066
Energy: 0.44127423426905044
Energy: 0.4065848798566583
Energy: 0.43586833668267
Energy: 0.444932128362384
Energy: 0.42963605362882423
Energy: 0.42972584035515116
Energy: 0.4456851045460307
Energy: 0.42909598851936764
Energy: 0.4435706733126316
Energy: 0.4550292703632077
Energy: 0.43231964052691324
Energy: 0.43217449211663506
Energy: 0.44124635805098705
Energy: 0.4319466216665933
Energy: 0.43223626435540213
Energy: 0.46346381287623906
Energy: 0.4447410394035219
Energy: 0.4405654413440305
Energy: 0.46397740843159613
Energy: 0.44320476361683975
Energy: 0.44041162034904635
Energy: 0.4412841450093252
Energy: 0.4456848393568
Energy: 0.4355525496069894
Energy: 0.4356522050358979
Energy: 0.4290489224914986
Energy: 0.43563424107980686
Energy: 0.47360516948688625
Energy: 0.43316262231567776
Energy: 0.4329590105198498
Energy: 0.47403270226780536
Energy: 0.43587756115728726
Energy: 0.43336981774606503
Energy: 0.4746460903248972
Energy: 0.41242319462480936
Energy: 0.4498077620828142
Energy: 0.4754085623122282
Energy: 0.41219156546068453
Energy: 0.4683540107297023
Energy: 0.5998426433159325
Energy: 0.4527232186015261
Energy: 0.45289455495149
Energy: 0.4759623727416644
Energy: 0.4341757409281001
Energy: 0.45319983839347666
Energy: 0.4297065165657586
Energy: 0.5450813529334089
Energy: 0.4618597078860379
Energy: 0.45850606399382776
Energy: 0.5424695150842831
Energy: 0.4626671312242134
Energy: 0.42593711518718763
Energy: 0.5293950772979383
Energy: 0.45376496925698934
Energy: 0.4297021162583413
Energy: 0.5255326826574644
Energy: 0.4463395255351467
Energy: 0.4685623248414364
Energy: 0.48720645759756803
Energy: 0.5131800691265436
Energy: 0.4753618218061804
Energy: 0.5002095062703714
Energy: 0.4569244088443157
Energy: 0.6047484105044426
Energy: 0.4398522596968472
Energy: 0.5102490886343343
Energy: 0.47570492401155173
Energy: 0.43619167259052904
Energy: 0.5126200588708252
Energy: 0.6431948264665458
Energy: 0.4981228800941459
Energy: 0.4302230950906492
Energy: 0.48672097151575167
Energy: 0.45219984025199694
Energy: 0.47127361956910313
Energy: 0.4369237879217533
Energy: 0.5300467964713639
Energy: 0.5304247227627693
Energy: 0.41980828856616237
Energy: 0.5315806066071268
Energy: 0.5062713107280107

minimum gb energy = 0.3993841015199229 eV
minimum distance =  2.69527915815755 Angstroms
sigma value = 57


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

Energy: 0.38159158382069014
Energy: 0.6043643530543245
Energy: 0.4249801654487663
Energy: 0.3722796656870983
Energy: 0.6074971588270839
Energy: 0.43072939560156914
Energy: 0.5415726732739726
Energy: 0.39060328617374385
Energy: 0.3868797624882169
Energy: 0.49661735373197113
Energy: 0.4921973732138846
Energy: 0.3871372663764905
Energy: 0.5819939687832407
Energy: 0.37142447294579584
Energy: 0.37123079438770623
Energy: 0.4961930446321314
Energy: 0.3713304969499351
Energy: 0.4012727724453268
Energy: 0.4926776245000734
Energy: 0.37104411714374064
Energy: 0.4265610780622551
Energy: 0.4929826400884363
Energy: 0.37469144274553945
Energy: 0.430792873029194
Energy: 0.42080358456869865
Energy: 0.3898503457939168
Energy: 0.3875882858122122
Energy: 0.4213375382930287
Energy: 0.41214320243153135
Energy: 0.388837064664026
Energy: 0.37398007178185594
Energy: 0.4265767794787477
Energy: 0.37017847484306066
Energy: 0.3595177739253343
Energy: 0.43519844949548475
Energy: 0.37072573892294186
Energy: 0.3915034711831062
Energy: 0.4290059825913111
Energy: 0.4326403744563105
Energy: 0.36460829776388737
Energy: 0.42839879831377115
Energy: 0.3640145690613221
Energy: 0.5228607669151528
Energy: 0.35670348873533614
Energy: 0.35648406551571943
Energy: 0.3703230297484011
Energy: 0.3566990016834162
Energy: 0.36301385143433623
Energy: 0.39352073023117623
Energy: 0.3846069959082929
Energy: 0.39250535249297525
Energy: 0.3946154545724343
Energy: 0.3779178946563923
Energy: 0.4007657345540075
Energy: 0.39125550147466975
Energy: 0.35536367628081156
Energy: 0.3617249041965145
Energy: 0.39137583068764903
Energy: 0.36099933085525315
Energy: 0.3554901855329664
Energy: 0.38038059308013034
Energy: 0.37676601803782644
Energy: 0.3538196708258303
Energy: 0.35290219488439695
Energy: 0.38621718271245786
Energy: 0.3539089110259502
Energy: 0.39421732451437813
Energy: 0.3822009282719697
Energy: 0.3855337771650815
Energy: 0.3855496187973645
Energy: 0.38052529403944774
Energy: 0.3569593877250838
Energy: 0.37748643538770277
Energy: 0.3838172020678005
Energy: 0.36063631247755606
Energy: 0.35661211335162724
Energy: 0.38424944733856087
Energy: 0.3605028464156234
Energy: 0.37781620624783707
Energy: 0.35616182308735367
Energy: 0.37774821528018204
Energy: 0.37878243531634365
Energy: 0.384035308213495
Energy: 0.3855944545398905
Energy: 0.3768287540971436
Energy: 0.3548805217111633
Energy: 0.35432840792577075
Energy: 0.3769244445353359
Energy: 0.35662335793035216
Energy: 0.353964740169043
Energy: 0.400580956048235
Energy: 0.4002934169104451
Energy: 0.3593444692592861
Energy: 0.3601487399278304
Energy: 0.3984083080536285
Energy: 0.3592055950570061
Energy: 0.37806703768826094
Energy: 0.39862453045082413
Energy: 0.3914221339289235
Energy: 0.37988484542611506
Energy: 0.3960032035421605
Energy: 0.36296129290534385
Energy: 0.3791499120921635
Energy: 0.3709456460174091
Energy: 0.37046317427336456
Energy: 0.37983526014209357
Energy: 0.36988084228314416
Energy: 0.36315585046839577
Energy: 0.4252131172214303
Energy: 0.36577140012755527
Energy: 0.39390181933487106
Energy: 0.42649982210579507
Energy: 0.36949447335970076
Energy: 0.4246534044939505
Energy: 0.4870487787454371
Energy: 0.37523823752087426
Energy: 0.37475374948092993
Energy: 0.41189304717114145
Energy: 0.37472660617715403
Energy: 0.38636366130645505
Energy: 0.545287910515276
Energy: 0.41200004842171983
Energy: 0.3738372511992663
Energy: 0.41159156006971054
Energy: 0.41258868760876904
Energy: 0.3862363529646207
Energy: 0.3773968639564119
Energy: 0.5006090539761258
Energy: 0.40413171549749194
Energy: 0.3651597831473672
Energy: 0.497530923875524
Energy: 0.38603166349833196
Energy: 0.39470377329070927
Energy: 0.44815171463171766
Energy: 0.440859425212226
Energy: 0.39539351684211677
Energy: 0.4932101501098668
Energy: 0.4382831703099105
Energy: 0.542510396816473
Energy: 0.41411973000704677
Energy: 0.38367391985668603
Energy: 0.4127984010386359
Energy: 0.4201898827915328
Energy: 0.3884734515104962
Energy: 0.5857495632146644
Energy: 0.3835297563825387
Energy: 0.3895438060092866
Energy: 0.4547618552977015
Energy: 0.3866964366026926
Energy: 0.4510396358106137
Energy: 0.5801785021330249
Energy: 0.4433527185788157
Energy: 0.4410856708987019
Energy: 0.49416279512423994
Energy: 0.46460912573383306
Energy: 0.38620678670382236
Energy: 0.3805729848615108
Energy: 0.4507721718177996
Energy: 0.4293551044878081
Energy: 0.3735420835773322
Energy: 0.4614197657044422
Energy: 0.39614123007432905

minimum gb energy = 0.35290219488439695 eV
minimum distance =  2.71611423640714 Angstroms
sigma value = 43


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

Energy: 0.3288649607891289
Energy: 0.4282502284178582
Energy: 0.3842106405613506
Energy: 0.32029939380210226
Energy: 0.4437313402286062
Energy: 0.3612099419264369
Energy: 0.45915044766628327
Energy: 0.3263353867263503
Energy: 0.3270951355857445
Energy: 0.39602755797429107
Energy: 0.35766491825607766
Energy: 0.3234914985054934
Energy: 0.49888048877213315
Energy: 0.3123028930729092
Energy: 0.32238448151537574
Energy: 0.3994826199104492
Energy: 0.3115061849871235
Energy: 0.32159419620862917
Energy: 0.4308080969533325
Energy: 0.3218050182588719
Energy: 0.32404670019819
Energy: 0.3603016390248678
Energy: 0.349019517674156
Energy: 0.3688807192021859
Energy: 0.3968171295026991
Energy: 0.3258311815767239
Energy: 0.3266154729376936
Energy: 0.35295579960653223
Energy: 0.38366184236762574
Energy: 0.3230974522962936
Energy: 0.31832325296764274
Energy: 0.3783701743616627
Energy: 0.31686330738931867
Energy: 0.30442628015377354
Energy: 0.3778199435256393
Energy: 0.3155006915493266
Energy: 0.4573471121946324
Energy: 0.3781327384990217
Energy: 0.3779339628868061
Energy: 0.30985056191890054
Energy: 0.3817736220649517
Energy: 0.30882257626948195
Energy: 0.4527388826080612
Energy: 0.29916199612584443
Energy: 0.30378216945072717
Energy: 0.3081222156030699
Energy: 0.2994525607337411
Energy: 0.30374320161457813
Energy: 0.3504785083746505
Energy: 0.30410439557413477
Energy: 0.34879389650938486
Energy: 0.3512817019473161
Energy: 0.32462877440740406
Energy: 0.3488950391333157
Energy: 0.33964949894169877
Energy: 0.30109075243942907
Energy: 0.3010887700644348
Energy: 0.34912458524928813
Energy: 0.30119073945604735
Energy: 0.30063493299830774
Energy: 0.31567147374764415
Energy: 0.3314705243091568
Energy: 0.2987943774240173
Energy: 0.2961986746618689
Energy: 0.33204316072900636
Energy: 0.2957969527030233
Energy: 0.35206690448319444
Energy: 0.33159560663146553
Energy: 0.3315058359807677
Energy: 0.2993384443514482
Energy: 0.33630661775526915
Energy: 0.29829196298754285
Energy: 0.43246896919323935
Energy: 0.31312688118823184
Energy: 0.33136340721816504
Energy: 0.3316587562689745
Energy: 0.29501372733551523
Energy: 0.29941747780587913
Energy: 0.3214352018293252
Energy: 0.2973487155951531
Energy: 0.3215559888812885
Energy: 0.3224463410276021
Energy: 0.3170039248758029
Energy: 0.3215011801348854
Energy: 0.3213661893822815
Energy: 0.294901496317596
Energy: 0.2949847700718267
Energy: 0.32170414969940647
Energy: 0.29386525696106414
Energy: 0.2945082181418553
Energy: 0.317744344196767
Energy: 0.31675218587501974
Energy: 0.29344804752597764
Energy: 0.29306126615677325
Energy: 0.3167544855386082
Energy: 0.2924400502403541
Energy: 0.32358833051690356
Energy: 0.3166545492788283
Energy: 0.31682933522220824
Energy: 0.312870574576858
Energy: 0.3166064508201999
Energy: 0.2954682576518676
Energy: 0.3171824747342047
Energy: 0.29507763477737414
Energy: 0.2951289698400863
Energy: 0.3170479939483095
Energy: 0.29648871135124744
Energy: 0.29530998753729615
Energy: 0.3169694009146731
Energy: 0.31002679188059606
Energy: 0.31685927156449073
Energy: 0.3178560493720182
Energy: 0.352545149752193
Energy: 0.3169929697407884
Energy: 0.318048989836651
Energy: 0.29885361976500024
Energy: 0.29885713218795185
Energy: 0.31768613051529
Energy: 0.2999127627259751
Energy: 0.30016730598033975
Energy: 0.33347888329571884
Energy: 0.32145742590795695
Energy: 0.32150464665881584
Energy: 0.29825202257424865
Energy: 0.3213330458891931
Energy: 0.2996281886143541
Energy: 0.31954363984519635
Energy: 0.32159373151455756
Energy: 0.3130736357414915
Energy: 0.2942523395317132
Energy: 0.32155310150574073
Energy: 0.2938114503173228
Energy: 0.33155625560483426
Energy: 0.29601596331982283
Energy: 0.29616473572028545
Energy: 0.33155373395248333
Energy: 0.2955988784545967
Energy: 0.2958718277241665
Energy: 0.33162096551416653
Energy: 0.30330265693697706
Energy: 0.33136460222730996
Energy: 0.33256334699930573
Energy: 0.31063106778658506
Energy: 0.33149128165042707
Energy: 0.4407897642096169
Energy: 0.31665602880442417
Energy: 0.3218628698853546
Energy: 0.3421174025558372
Energy: 0.29740763966107536
Energy: 0.3056573660848603
Energy: 0.40427937202416014
Energy: 0.3490860861106519
Energy: 0.34880428232190896
Energy: 0.2998782829308174
Energy: 0.3493968417631832
Energy: 0.29924625875706556
Energy: 0.3172106109191011
Energy: 0.3488293317026222
Energy: 0.3081731492957719
Energy: 0.29979437785150004
Energy: 0.3488157650519406
Energy: 0.30151371538718885
Energy: 0.359600287101346
Energy: 0.3107912507340009
Energy: 0.3101943680339
Energy: 0.360169498105797
Energy: 0.33354725391887713
Energy: 0.309064477527813
Energy: 0.3797755302316388
Energy: 0.31252608062655574
Energy: 0.3780189133428073
Energy: 0.38072741971130925
Energy: 0.3181143390125058
Energy: 0.3780118144028315
Energy: 0.46882911076469225
Energy: 0.3058491264153488
Energy: 0.3124237078658902
Energy: 0.3584830981841349
Energy: 0.30563883169712375
Energy: 0.31208433746418135
Energy: 0.4678337536254308
Energy: 0.35743981671082153
Energy: 0.35788010367549217
Energy: 0.35738064503660194
Energy: 0.3584003684303873
Energy: 0.3284559386930514
Energy: 0.32279722234974034
Energy: 0.4009998950126017
Energy: 0.3299447239339125
Energy: 0.3118748301943276
Energy: 0.3984611901881701
Energy: 0.3262125468445896
Energy: 0.4277357385932187
Energy: 0.35840237781487355
Energy: 0.3584191284901972
Energy: 0.3613978642443918
Energy: 0.35491295588363225
Energy: 0.3656187961584569
Energy: 0.46920248095607603
Energy: 0.3372555809453343
Energy: 0.3345554083356565
Energy: 0.3602679923022969
Energy: 0.3193342004241732
Energy: 0.3965988417250689
Energy: 0.49951782269278827
Energy: 0.3222102101304254
Energy: 0.3386942219835972
Energy: 0.4002543712548508
Energy: 0.3417331903139659
Energy: 0.3638016438219571
Energy: 0.4761327348096389
Energy: 0.3581073549958741
Energy: 0.3582299158671324
Energy: 0.3956880152103814
Energy: 0.39643570097719333
Energy: 0.3243359093086792

minimum gb energy = 0.2924400502403541 eV
minimum distance =  2.74042087610692 Angstroms
sigma value = 81


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

Energy: 0.018210205921515996
Energy: 0.038937564079678445
Energy: 0.01858762225693801
Energy: 0.019651799561418593
Energy: 0.018581427392345123
Energy: 0.018590203268427998
Energy: 0.039798856925980806
Energy: 0.018640569514656327
Energy: 0.018827576885680947
Energy: 0.03963877716093688
Energy: 0.020126341252716694
Energy: 0.019054069797479745
Energy: 0.03892891264230245
Energy: 0.01851438907546543
Energy: 0.01843942832095132
Energy: 0.038861657370644696
Energy: 0.018683432311442958
Energy: 0.039254873148816524
Energy: 0.019686831468559762
Energy: 0.018518454776045704
Energy: 0.018536879283920723
Energy: 0.019991346823817938
Energy: 0.018479473791208356
Energy: 0.039590778441026174
Energy: 0.03925511989147036
Energy: 0.03890540367161005
Energy: 0.03914893762633699
Energy: 0.039931797450631905
Energy: 0.039008225090978954
Energy: 0.039139804502198734
Energy: 0.018809096240163956
Energy: 0.01861448883276492
Energy: 0.01847136740328657
Energy: 0.019840043013675843
Energy: 0.018707951210315654
Energy: 0.018552752975242528
Energy: 0.0389327619577386
Energy: 0.018632724133654743
Energy: 0.018655575177818812
Energy: 0.03888774862067281
Energy: 0.01892501761145895
Energy: 0.018819995108082993
Energy: 0.038880861529931074
Energy: 0.018388986130011088
Energy: 0.01852903288916435
Energy: 0.03907733672379269
Energy: 0.018474285175404323
Energy: 0.04006826104521587
Energy: 0.018940184337141452
Energy: 0.0186596994667212
Energy: 0.040686149494093875
Energy: 0.020177106408531393
Energy: 0.01854564700803328
Energy: 0.0404033838566887
Energy: 0.018787222164403324
Energy: 0.038957188765580957
Energy: 0.03901669119775356
Energy: 0.01856751624078952
Energy: 0.03900186417730585
Energy: 0.03893462950552827

minimum gb energy = 0.018210205921515996 eV
minimum distance =  2.86184804844273 Angstroms
sigma value = 3


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

Energy: 0.383845056618415
Energy: 0.37101450541902925
Energy: 0.37736393754545694
Energy: 0.3560762172246513
Energy: 0.3714733376158586
Energy: 0.35746987228671007
Energy: 0.38650088255701254
Energy: 0.3749246144475038
Energy: 0.3739838065764693
Energy: 0.3747077669289633
Energy: 0.37681296381919877
Energy: 0.37787911468043295
Energy: 0.3886269220978048
Energy: 0.36111196562832576
Energy: 0.3612162998533377
Energy: 0.37469137488818416
Energy: 0.35822466336620923
Energy: 0.37116391149152694
Energy: 0.3662854946348412
Energy: 0.3614069130310224
Energy: 0.3611374937655616
Energy: 0.36331243825004605
Energy: 0.32661990547231456
Energy: 0.3710107738058778
Energy: 0.3328490250281276
Energy: 0.3771251591160174
Energy: 0.3785226127891209
Energy: 0.3330576277019927
Energy: 0.37626392678399573
Energy: 0.37852948522202534
Energy: 0.3588589896428547
Energy: 0.3759340636721504
Energy: 0.36838147710413693
Energy: 0.31118686245073146
Energy: 0.37586189064548264
Energy: 0.34951618655232247
Energy: 0.3766011770346391
Energy: 0.33980615471679204
Energy: 0.33901447716543687
Energy: 0.3761472200296752
Energy: 0.34179704019227164
Energy: 0.37651630933374963
Energy: 0.36284616830130884
Energy: 0.35571778791753506
Energy: 0.35580279666645076
Energy: 0.3629072238054753
Energy: 0.33953758259307193
Energy: 0.3427752307421617
Energy: 0.3742868610829702
Energy: 0.3564435991668261
Energy: 0.3712319555092204
Energy: 0.37565475524530356
Energy: 0.3134431981894824
Energy: 0.3719464093851601
Energy: 0.34462738215715316
Energy: 0.34047317858887083
Energy: 0.33763443104444735
Energy: 0.3442650275062068
Energy: 0.34096712856643846
Energy: 0.34759513422759164
Energy: 0.35614093171095706
Energy: 0.3602928138549183
Energy: 0.36095526739472067
Energy: 0.3019742800417966
Energy: 0.36039610110694553
Energy: 0.3443441801258811
Energy: 0.31807076657538624
Energy: 0.3639466794165677
Energy: 0.3640940430266082
Energy: 0.3168152349779145
Energy: 0.3633987117133125
Energy: 0.31642357003204435
Energy: 0.3170541910288219
Energy: 0.3368279867859588
Energy: 0.34800662247887754
Energy: 0.31707241224702043
Energy: 0.2935126570791097
Energy: 0.31834496574016796
Energy: 0.3555614207387904
Energy: 0.32585075664177066
Energy: 0.3494480056238251
Energy: 0.31802889815069935
Energy: 0.301878081105617
Energy: 0.3497313449993149
Energy: 0.3515644081650236
Energy: 0.3014338959911372
Energy: 0.30128062331983674
Energy: 0.34981377698247645
Energy: 0.3047981847858812
Energy: 0.3011858095801565
Energy: 0.34934130372390887
Energy: 0.3421406943912172
Energy: 0.3415460169209176
Energy: 0.33954689048500675
Energy: 0.34714843287612024
Energy: 0.3416081448267106
Energy: 0.2981465642511193
Energy: 0.3413769315014949
Energy: 0.34049165274455906
Energy: 0.2935009755899207
Energy: 0.34240967588824195
Energy: 0.29331259385253183
Energy: 0.29363149753818235
Energy: 0.33717031808118686
Energy: 0.3375921290148096
Energy: 0.2937445643871175
Energy: 0.2950190067532383
Energy: 0.33784515278262217
Energy: 0.3440500626832609
Energy: 0.3160825098233356
Energy: 0.3369966240322489
Energy: 0.3181338262079165
Energy: 0.3146438578907462
Energy: 0.3372170154189554
Energy: 0.34740272497982294
Energy: 0.2934089063920764
Energy: 0.29333918249452606
Energy: 0.3481937988652883
Energy: 0.297464244595594
Energy: 0.2933291115871862
Energy: 0.3472573306093895
Energy: 0.3390705595635459
Energy: 0.3418012586526753
Energy: 0.34696558201541644
Energy: 0.3509511964756879
Energy: 0.3405299345942066
Energy: 0.30450445051798314
Energy: 0.33946850762154673
Energy: 0.3216342194642382
Energy: 0.30353428078735356
Energy: 0.34043799308386946
Energy: 0.3013441388682701
Energy: 0.3013050113469105
Energy: 0.35021473029242955
Energy: 0.3500100297130876
Energy: 0.30131088312201726
Energy: 0.3387069944006713
Energy: 0.34817650557892593
Energy: 0.35219965714951257
Energy: 0.31703633832119854
Energy: 0.3366083440432595
Energy: 0.3248411557698749
Energy: 0.31662475212385144
Energy: 0.34124081163926034
Energy: 0.3653487336395882
Energy: 0.31671399760017555
Energy: 0.3165061084959142
Energy: 0.36670032577863587
Energy: 0.32059234847591583
Energy: 0.3165451435101813
Energy: 0.3630813541144987
Energy: 0.3510697274184472
Energy: 0.35134287876420506
Energy: 0.36341163380496955
Energy: 0.33711835651917893
Energy: 0.36056744191918205
Energy: 0.3405459858209403
Energy: 0.3510496198053232
Energy: 0.3513332823922535
Energy: 0.34041046105245415
Energy: 0.36473267121878283
Energy: 0.3380766625092922
Energy: 0.32395208149264365
Energy: 0.33286312561440246
Energy: 0.38105242855632204
Energy: 0.3240650849971692
Energy: 0.33434331517212945
Energy: 0.37587306208866306
Energy: 0.3589983145648444
Energy: 0.3632376885726468
Energy: 0.3577848759979115
Energy: 0.3053239258720173
Energy: 0.3631637050352089
Energy: 0.34697648034309714
Energy: 0.33925004315809415
Energy: 0.3703672773275052
Energy: 0.36363395133262916
Energy: 0.339262636980832
Energy: 0.36624142967970447
Energy: 0.37009914823811024
Energy: 0.36463539080173096
Energy: 0.3598877432259348
Energy: 0.3593556671460165
Energy: 0.36462061978166177
Energy: 0.32782805293912
Energy: 0.35951804331570597
Energy: 0.3877556233235386
Energy: 0.3372055345653599
Energy: 0.37751821506238414
Energy: 0.37444298886459665
Energy: 0.3198844854795077
Energy: 0.3936591175337683
Energy: 0.34067408265910637
Energy: 0.3631498096844178
Energy: 0.36262356971972387
Energy: 0.3406322374497312
Energy: 0.3665638491464524
Energy: 0.35833464713431856

minimum gb energy = 0.29331259385253183 eV
minimum distance =  2.70609944478702 Angstroms
sigma value = 67


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

Energy: 0.46308014656147617
Energy: 0.45861642486545806
Energy: 0.4559734840730393
Energy: 0.38921604822483585
Energy: 0.4585045572488545
Energy: 0.4578348075841352
Energy: 0.475454907880969
Energy: 0.4570980228254559
Energy: 0.45259329042816593
Energy: 0.45692324175172633
Energy: 0.45651173340579454
Energy: 0.4221552035557111
Energy: 0.4698732013778599
Energy: 0.4424846370008795
Energy: 0.4511545109250143
Energy: 0.45579967299508367
Energy: 0.44317649602245407
Energy: 0.4504587052442924
Energy: 0.4367324209877991
Energy: 0.4527361744533797
Energy: 0.45082022504749053
Energy: 0.43723543186530384
Energy: 0.4506105814924907
Energy: 0.452067171178047
Energy: 0.43122535079046465
Energy: 0.4569820347448251
Energy: 0.41967553171016037
Energy: 0.43140857097740964
Energy: 0.46185790239418256
Energy: 0.4217168905443431
Energy: 0.4367328922574618
Energy: 0.4520971199183314
Energy: 0.4448049128255801
Energy: 0.4018781277318127
Energy: 0.4520588987852914
Energy: 0.4436035479409525
Energy: 0.4394372350776583
Energy: 0.43869528794451385
Energy: 0.4020713849303825
Energy: 0.43971502542219315
Energy: 0.43740762599298333
Energy: 0.40483633477477166
Energy: 0.4387115605350933
Energy: 0.4321321300008337
Energy: 0.436534704637762
Energy: 0.4381957825136444
Energy: 0.38208811885867194
Energy: 0.4350543041039022
Energy: 0.44501916370049893
Energy: 0.4504180294105225
Energy: 0.4518145836933732
Energy: 0.44826537567730984
Energy: 0.4011303707289087
Energy: 0.4506602787092665
Energy: 0.4496454568359658
Energy: 0.40431993599440347
Energy: 0.40708916789902305
Energy: 0.44944220779735844
Energy: 0.40233504767751027
Energy: 0.4014217706775103
Energy: 0.44356860762943706
Energy: 0.4374462068648992
Energy: 0.4366390821483492
Energy: 0.3822539795391316
Energy: 0.43421254787556884
Energy: 0.4377392444010004
Energy: 0.3852613406008952
Energy: 0.4356831964808208
Energy: 0.43553488493966896
Energy: 0.3859535419511025
Energy: 0.4039021975800269
Energy: 0.3814738698694709
Energy: 0.38758014401137125
Energy: 0.4321803039325441
Energy: 0.4308580329301464
Energy: 0.3882569177929819
Energy: 0.38367426172983055
Energy: 0.38110188042487314
Energy: 0.43221047625042563
Energy: 0.43208643584956635
Energy: 0.43029134107167344
Energy: 0.3823658521309481
Energy: 0.4101310591794661
Energy: 0.4298699553331073
Energy: 0.43457812029616144
Energy: 0.38441860457033905
Energy: 0.38180132689950597
Energy: 0.43500262978850684
Energy: 0.38312042049729966
Energy: 0.38151409484324206
Energy: 0.4348514273759937
Energy: 0.43847854761375976
Energy: 0.4365628231417908
Energy: 0.4140103600076089
Energy: 0.4156881190230461
Energy: 0.4346907694638297
Energy: 0.4055629560008771
Energy: 0.431827549580135
Energy: 0.42912210524189315
Energy: 0.40613604125234015
Energy: 0.37772581971170727
Energy: 0.40091991453538944
Energy: 0.4054923465346112
Energy: 0.4492021950136923
Energy: 0.45034087154426244
Energy: 0.4009653235031964
Energy: 0.40382103553678483
Energy: 0.40196557081977
Energy: 0.4323464504612626
Energy: 0.4462182262753649
Energy: 0.4405352510730548
Energy: 0.3886568251842429
Energy: 0.44618251217983
Energy: 0.4401765398469845
Energy: 0.40000077017326136
Energy: 0.43707287793930266
Energy: 0.4051622848505444
Energy: 0.4424190468192321
Energy: 0.4362038745909739
Energy: 0.40519427471791253
Energy: 0.4368259593392992
Energy: 0.44228340770198227
Energy: 0.45228299457059973
Energy: 0.43744710173087725
Energy: 0.4378512147925115
Energy: 0.45412105146871706
Energy: 0.46935200147756256
Energy: 0.43620452750995214
Energy: 0.3884099185813335
Energy: 0.45514719388221947
Energy: 0.4357717089269254
Energy: 0.45244015375678615
Energy: 0.446507774393097
Energy: 0.4379006173492307
Energy: 0.4408342310964961
Energy: 0.44682221000513406
Energy: 0.4365046791589765
Energy: 0.40422933839946107

minimum gb energy = 0.37772581971170727 eV
minimum distance =  2.68960770073005 Angstroms
sigma value = 33


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

Energy: 0.5396086188928071
Energy: 0.5262470073141418
Energy: 0.538761536823388
Energy: 0.5101948690405436
Energy: 0.5263425411842753
Energy: 0.5172078382083246
Energy: 0.545578068092944
Energy: 0.4810221487543933
Energy: 0.48128931627637384
Energy: 0.47979405964537064
Energy: 0.4826493854859235
Energy: 0.44812433708016725
Energy: 0.5375951372676359
Energy: 0.4475212833885841
Energy: 0.4805919845612211
Energy: 0.48553476059479656
Energy: 0.48056173566537763
Energy: 0.4783871073003638
Energy: 0.4811865400077225
Energy: 0.5000057952787763
Energy: 0.47952945165655514
Energy: 0.48113394955686334
Energy: 0.44551131579794195
Energy: 0.4784525702663153
Energy: 0.48100454871619397
Energy: 0.4813783474145092
Energy: 0.44702902828661395
Energy: 0.48109155491740957
Energy: 0.4813919278111617
Energy: 0.44842979911320446
Energy: 0.4808752703243212
Energy: 0.4448891338907916
Energy: 0.4445282528041829
Energy: 0.4448153577411684
Energy: 0.4437990151872872
Energy: 0.44584126552104436
Energy: 0.48081051045581724
Energy: 0.4434440106746551
Energy: 0.44363804229286863
Energy: 0.48104388124257363
Energy: 0.4436193358839373
Energy: 0.44726932019489296
Energy: 0.48184879618606064
Energy: 0.44186753667555995
Energy: 0.45181273015036433
Energy: 0.48192968752453896
Energy: 0.445167116184331
Energy: 0.44823700495196767
Energy: 0.4708346737453811
Energy: 0.451650259968591
Energy: 0.5068396023933375
Energy: 0.4484603032914004
Energy: 0.44314189561120904
Energy: 0.5044876990218428
Energy: 0.4981945200676442
Energy: 0.44606869445290065
Energy: 0.4425543288618368
Energy: 0.4701182101904231
Energy: 0.44330217491957286
Energy: 0.44277427436358674
Energy: 0.47028066506029165
Energy: 0.4439440218289581
Energy: 0.49418512440192053
Energy: 0.44432348549261336
Energy: 0.47060080580801505
Energy: 0.49375917772156236
Energy: 0.44192357198857973
Energy: 0.4435089979803773
Energy: 0.44376258975919886
Energy: 0.4420154679595808
Energy: 0.4527048192827894
Energy: 0.44241550245079264
Energy: 0.44208526724294056
Energy: 0.4479758303227335
Energy: 0.504767026302859
Energy: 0.44222870688510074
Energy: 0.44832174848206796
Energy: 0.44249029254296013
Energy: 0.43046258618487737
Energy: 0.4465352283917834
Energy: 0.4480798485597574
Energy: 0.43275190928073864
Energy: 0.4718770630851757
Energy: 0.49162852820420694
Energy: 0.43147450486172434
Energy: 0.4845987431128908
Energy: 0.4499865164975102
Energy: 0.43140602723485805
Energy: 0.4826859876450756
Energy: 0.4481590142554529
Energy: 0.44823041469676916
Energy: 0.43031121587012355
Energy: 0.43027856650260277
Energy: 0.44854411131596844
Energy: 0.4519927768471919
Energy: 0.44692935102945375
Energy: 0.5663502550754188
Energy: 0.452010675347825
Energy: 0.4722564444961845
Energy: 0.5669776696295683
Energy: 0.4550796508781393
Energy: 0.43121216044997296
Energy: 0.5487944591999525
Energy: 0.4845399250648681
Energy: 0.48320610808200426
Energy: 0.4796600876161032
Energy: 0.48407885541410584
Energy: 0.5217074599630427
Energy: 0.5061358030881944
Energy: 0.4842898530740336
Energy: 0.5215597811766107
Energy: 0.4558431074585793
Energy: 0.4837535579767779
Energy: 0.42935438156555267
Energy: 0.5044801098897996
Energy: 0.4811860755586499
Energy: 0.48113086863801025
Energy: 0.5049978633624597
Energy: 0.48154138104071187
Energy: 0.44828352830411217
Energy: 0.5379206477622955
Energy: 0.4630727126839956
Energy: 0.44679804331229955
Energy: 0.5227204189385869
Energy: 0.4417703231998975
Energy: 0.4448902474221494
Energy: 0.4872642278786064
Energy: 0.4477647630966418
Energy: 0.4818044350061365
Energy: 0.485212203020512
Energy: 0.4471676487066909
Energy: 0.4415810665872201
Energy: 0.480948046330822
Energy: 0.4816569915184797
Energy: 0.44736476393422564
Energy: 0.48113172801134874
Energy: 0.48149376872986366
Energy: 0.4479648102257161
Energy: 0.4807023300840782
Energy: 0.44289972044674253
Energy: 0.4436898620015974
Energy: 0.4428528424094038
Energy: 0.4428661630708919
Energy: 0.4451111653256208
Energy: 0.48077716602436504
Energy: 0.4437347310105407
Energy: 0.44389532103246404
Energy: 0.48094168712390056
Energy: 0.4438768088002786
Energy: 0.4423696391245601
Energy: 0.48564519392618855
Energy: 0.44200541100778684
Energy: 0.4468469253305406
Energy: 0.4863008817447276
Energy: 0.44476812929064563
Energy: 0.44877677310827635
Energy: 0.4704737415811334
Energy: 0.44312146886552195
Energy: 0.5076495223072877
Energy: 0.4705561610952282
Energy: 0.44392345671802547
Energy: 0.5048478904436522
Energy: 0.4700823699578211
Energy: 0.4427842384450001
Energy: 0.4426216758352431
Energy: 0.47019481666122864
Energy: 0.44362960977955934
Energy: 0.4426481049979255
Energy: 0.46892288696328777
Energy: 0.47067671357968266
Energy: 0.46737004505597873
Energy: 0.4449924190548236
Energy: 0.47190115451220305
Energy: 0.49474321668552
Energy: 0.44195618939948783
Energy: 0.44283179727518457
Energy: 0.44455180643031983
Energy: 0.4420998407239523
Energy: 0.4536766941576955
Energy: 0.44243828401286267
Energy: 0.4452760761804932
Energy: 0.4485593529122883
Energy: 0.44255633765701935
Energy: 0.44604700578128204
Energy: 0.44822864043622135
Energy: 0.4425145905089217
Energy: 0.4304307165381156
Energy: 0.44697294492348855
Energy: 0.4480864416237141
Energy: 0.43269252792215346
Energy: 0.470112142177784
Energy: 0.49256580326070365
Energy: 0.43217924979068356
Energy: 0.4850811700128688
Energy: 0.4487719752941647
Energy: 0.43449171483335963
Energy: 0.4836895458123401
Energy: 0.44879644491102927
Energy: 0.44839447081883843
Energy: 0.494443331379305
Energy: 0.449508457173768
Energy: 0.44836207119092686
Energy: 0.4520165904009272
Energy: 0.4472661361944746
Energy: 0.5676605578181214
Energy: 0.4525412530678362
Energy: 0.43267186282674136
Energy: 0.5677485750688271
Energy: 0.4335613595556342
Energy: 0.4308744576525682
Energy: 0.5476103826586844
Energy: 0.48106935508987436
Energy: 0.4812297583310843
Energy: 0.47999703225120194
Energy: 0.4840526725532766
Energy: 0.4482560340473579
Energy: 0.5059421756836503
Energy: 0.4846803560204044
Energy: 0.5195985545499926
Energy: 0.4541477192748531
Energy: 0.48490713610995645
Energy: 0.42980558558353293

minimum gb energy = 0.42935438156555267 eV
minimum distance =  2.70147925746284 Angstroms
sigma value = 41


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

Energy: 0.5874812337106011
Energy: 0.5452887420684789
Energy: 0.5895725380157787
Energy: 0.5171053650831374
Energy: 0.5453665460569621
Energy: 0.5902412723818553
Energy: 0.6284313649561754
Energy: 0.5484343861492311
Energy: 0.5486933765920244
Energy: 0.5465640899514285
Energy: 0.5480763454214553
Energy: 0.5275510390920184
Energy: 0.620347878787551
Energy: 0.5166469130007366
Energy: 0.5149888836425127
Energy: 0.6206990653005694
Energy: 0.5373567344692883
Energy: 0.5451909395148002
Energy: 0.5491495699423398
Energy: 0.5165083741180997
Energy: 0.5154979497501483
Energy: 0.5494620714118513
Energy: 0.5175706021374664
Energy: 0.5373409560177599
Energy: 0.5365750035305462
Energy: 0.5484910626997603
Energy: 0.5494198358115117
Energy: 0.5366592242863162
Energy: 0.5479639630216264
Energy: 0.5280373794268702
Energy: 0.552719741930718
Energy: 0.5704171150544898
Energy: 0.526574508843055
Energy: 0.5185645168495298
Energy: 0.5685604797685433
Energy: 0.5161025463476191
Energy: 0.5359859241942058
Energy: 0.527000013002923
Energy: 0.5257328066064098
Energy: 0.5359909443971095
Energy: 0.5178136689466083
Energy: 0.5181760231289044
Energy: 0.5380108201794618
Energy: 0.5167246784378277
Energy: 0.5169000567115506
Energy: 0.5387787490273757
Energy: 0.5187786097349149
Energy: 0.5365720742331196
Energy: 0.578412800816453
Energy: 0.517023385281323
Energy: 0.5163004235640891
Energy: 0.580812212257729
Energy: 0.5550761326546648
Energy: 0.5161317466521782
Energy: 0.5522779360459544
Energy: 0.5397527186871106
Energy: 0.5360770397385479
Energy: 0.545195075948915
Energy: 0.5367658388833452
Energy: 0.5160136994661201
Energy: 0.5462034565166101
Energy: 0.5377953921553532
Energy: 0.5188637057205725
Energy: 0.5171066472959388
Energy: 0.5062525186976664
Energy: 0.5181985023661875
Energy: 0.6172755962804106
Energy: 0.5061542171367212
Energy: 0.506373105436154
Energy: 0.6176583098458965
Energy: 0.5061227667200213
Energy: 0.5477030463828608
Energy: 0.6342054082364594
Energy: 0.5374605588217384
Energy: 0.5466765366308319
Energy: 0.5466823776960023
Energy: 0.5391219219044685
Energy: 0.5275725160197577
Energy: 0.5107538774590157
Energy: 0.5459648045508848
Energy: 0.5068001506410865
Energy: 0.5090548189369523
Energy: 0.5457599205923952
Energy: 0.5067978973464454

minimum gb energy = 0.5061227667200213 eV
minimum distance =  2.70933884645172 Angstroms
sigma value = 11


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

Energy: 0.6365448946355933
Energy: 0.63131810406667
Energy: 0.631348983725303
Energy: 0.6299616260036219
Energy: 0.6298248786610156
Energy: 0.6108338195960387
Energy: 0.7066315042222696
Energy: 0.6002979652298537
Energy: 0.6003528955809326
Energy: 0.6319841799755631
Energy: 0.6007444626788907
Energy: 0.5992336805534721
Energy: 0.7249766878977021
Energy: 0.6094966032895099
Energy: 0.6095352348074163
Energy: 0.7256678750371608
Energy: 0.5945492197670068
Energy: 0.6100039615365497
Energy: 0.6225248149593996
Energy: 0.5938636202064076
Energy: 0.6112054469455127
Energy: 0.6128129667004493
Energy: 0.5996143976631498
Energy: 0.6108927464763942
Energy: 0.6307758257351835
Energy: 0.6002304408127161
Energy: 0.6001274648301568
Energy: 0.6087807681244508
Energy: 0.6002809294413686
Energy: 0.6029411846935339
Energy: 0.6301572482016315
Energy: 0.6123324066050351
Energy: 0.5997220561018837
Energy: 0.6014594696215312
Energy: 0.6124045003964781
Energy: 0.6127685402765387
Energy: 0.6125495537123872
Energy: 0.6136134762554974
Energy: 0.6137538258648845
Energy: 0.612607496680698
Energy: 0.6110443274046193
Energy: 0.6084903276712185
Energy: 0.6152099122471162
Energy: 0.6076366124552828
Energy: 0.6037240641876165
Energy: 0.601012650419589
Energy: 0.630522857591683
Energy: 0.6005130564822786
Energy: 0.6112795434764464
Energy: 0.6202548532901496
Energy: 0.6103064837291353
Energy: 0.5949753154858809
Energy: 0.6039116536441278
Energy: 0.597785118573672
Energy: 0.6104416487517433
Energy: 0.6198266579619754
Energy: 0.6113295227916659
Energy: 0.5957965253695446
Energy: 0.608336232535005
Energy: 0.5966735272444251
Energy: 0.6122810988564394
Energy: 0.6053226848464859
Energy: 0.6005290227243398
Energy: 0.600525851212665
Energy: 0.6070894402682742
Energy: 0.6002860159362347
Energy: 0.6024511323916282
Energy: 0.6117751721263913
Energy: 0.611790465598998
Energy: 0.602650029287849
Energy: 0.6154256580061593
Energy: 0.6198339799991653
Energy: 0.60006444196928
Energy: 0.6113770555716569
Energy: 0.60546210792907
Energy: 0.6000720037829844
Energy: 0.6330439292256904
Energy: 0.599448415274248
Energy: 0.6115115397291117
Energy: 0.6406188982909501
Energy: 0.6142673759160944
Energy: 0.5979809749447181
Energy: 0.6126066318079426
Energy: 0.6136531195061756
Energy: 0.5945073450570384
Energy: 0.605292454823945
Energy: 0.6319884523098394
Energy: 0.5947069302390451
Energy: 0.6063760862654367
Energy: 0.594703126755413
Energy: 0.594913046373251
Energy: 0.6053523715942848
Energy: 0.5948920397690225
Energy: 0.5957935934409022
Energy: 0.6066233629612949
Energy: 0.5946014281322081
Energy: 0.5943069933488
Energy: 0.6132390356084119
Energy: 0.6274974244028907
Energy: 0.594487621109714
Energy: 0.6087703927206881
Energy: 0.5986827799691461
Energy: 0.6122795186372713
Energy: 0.6145220363325204
Energy: 0.6357062997589296
Energy: 0.6076117763571998
Energy: 0.6558698328083639
Energy: 0.6131592779535328
Energy: 0.6072990989290471
Energy: 0.6022575370993557
Energy: 0.6020260899262866
Energy: 0.6074649378935576
Energy: 0.6086684009708488
Energy: 0.6157954009804675
Energy: 0.622170515160655
Energy: 0.5978898858696345
Energy: 0.596147178002723
Energy: 0.6074533174875565
Energy: 0.5958700517633029
Energy: 0.6110637184150284
Energy: 0.6586172985851039
Energy: 0.5954143187988483
Energy: 0.5966732527962078
Energy: 0.6076393352972875
Energy: 0.6105165259649494
Energy: 0.6034903213663192
Energy: 0.608329854122135
Energy: 0.6018175916128384
Energy: 0.6013434170933174
Energy: 0.5988638237026842
Energy: 0.6056797410427541
Energy: 0.6009426665744463
Energy: 0.6174032422162388
Energy: 0.6175537976226475
Energy: 0.6139247122572934
Energy: 0.5968153509146378
Energy: 0.6077631023780545
Energy: 0.6139141288634352
Energy: 0.6421118848026104
Energy: 0.6075545533143197
Energy: 0.614541727651821
Energy: 0.6086173151175724
Energy: 0.6079112875455989
Energy: 0.6019136753249146
Energy: 0.6543494952055671
Energy: 0.6127121527605102
Energy: 0.6130017911848709
Energy: 0.6551497353013673
Energy: 0.6031895311081469
Energy: 0.6097605466964348
Energy: 0.6331655382086226
Energy: 0.5984030402446596
Energy: 0.5995193178036164
Energy: 0.6090131069055766
Energy: 0.5947208749527508
Energy: 0.5947531787286087
Energy: 0.6577106227775515
Energy: 0.5942455051303838
Energy: 0.5945652726207303
Energy: 0.6065172955182154
Energy: 0.5960921755305677
Energy: 0.5946908570831511
Energy: 0.6331272261794757
Energy: 0.6052116099674613
Energy: 0.5953706553247059
Energy: 0.6127438293869435
Energy: 0.5946762657463605
Energy: 0.6312804016423982
Energy: 0.643533677620156
Energy: 0.6104440990526341
Energy: 0.6110239744141884
Energy: 0.6253541454029001
Energy: 0.6055609138986249
Energy: 0.5959520120795438
Energy: 0.7059124267175226
Energy: 0.5999285831537615
Energy: 0.6010108882111037
Energy: 0.634679915450832
Energy: 0.5999334440529968
Energy: 0.6192189980451217
Energy: 0.6276485802222397
Energy: 0.6041775868866299
Energy: 0.6104162542168354
Energy: 0.5988247753653071
Energy: 0.6034795329108081
Energy: 0.611882685239321

minimum gb energy = 0.5938636202064076 eV
minimum distance =  2.70798115474415 Angstroms
sigma value = 57


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

Energy: 0.8698702307794264
Energy: 0.6110268272482646
Energy: 0.6926374679781443
Energy: 0.6900346952459145
Energy: 0.9148674428598327
Energy: 0.6913368530805218
Energy: 0.6707660900313487
Energy: 0.5962195348330117
Energy: 0.597422142978286
Energy: 0.6151899930049699
Energy: 0.6118961861065946
Energy: 0.5971814285591033
Energy: 0.6453562648437418
Energy: 0.6291134627154467
Energy: 0.6064622409765862
Energy: 0.6432104687619914
Energy: 0.6075654683060413
Energy: 0.6119721056549671
Energy: 0.607243590279059
Energy: 0.5970357393119959
Energy: 0.5961148426246407
Energy: 0.6077793612183026
Energy: 0.6075151646624912
Energy: 0.5963275227503125
Energy: 0.6115713949265534
Energy: 0.6101088519161083
Energy: 0.598450575098363
Energy: 0.6120055207783984
Energy: 0.6086480642883816
Energy: 0.596323099870554
Energy: 0.6091906082966703
Energy: 0.6436617671337874
Energy: 0.6109910530320767
Energy: 0.6106555666428722
Energy: 0.6437143383500769
Energy: 0.611320183023488
Energy: 0.6427297632328152
Energy: 0.6276726411744277
Energy: 0.6315884168716436
Energy: 0.643554141881971
Energy: 0.6242673308578444
Energy: 0.6120251543406057
Energy: 0.6724325596758093
Energy: 0.6103090305545371
Energy: 0.5978807916319034
Energy: 0.6105883377495467
Energy: 0.6092620173961621
Energy: 0.5965300861231172
Energy: 0.6159186052343115
Energy: 0.608960059428132
Energy: 0.6272632239642836
Energy: 0.5839828462148746
Energy: 0.6068795620076792
Energy: 0.5843469674006382
Energy: 0.6167327880283253
Energy: 0.6082058421993455
Energy: 0.6276977343527463
Energy: 0.586571483718036
Energy: 0.6427531151462275
Energy: 0.5842950796183768
Energy: 0.6719816522873501
Energy: 0.6107371896326578
Energy: 0.5990171290056218
Energy: 0.6105586964389217
Energy: 0.6091907068739965
Energy: 0.5965362188450948
Energy: 0.636391882492637
Energy: 0.626132774470499
Energy: 0.6076519350770849
Energy: 0.636746006756217
Energy: 0.6302868296428285
Energy: 0.6103259758380686
Energy: 0.6133246359774521
Energy: 0.5961085440398143
Energy: 0.5969040365492404
Energy: 0.6133946729003038
Energy: 0.6105691578093272
Energy: 0.5962262093885933
Energy: 0.6078824173318675
Energy: 0.6446911789370353
Energy: 0.6080510999326189
Energy: 0.6145715707505935
Energy: 0.6433469051969043
Energy: 0.6084580701145484
Energy: 0.6128749793633865
Energy: 0.6255972993269159
Energy: 0.5974865963941601
Energy: 0.6093661649470437
Energy: 0.6250757446609074
Energy: 0.59648247473068
Energy: 0.6434978211192565
Energy: 0.6259457459934155
Energy: 0.5855803830628915
Energy: 0.6441470823691768
Energy: 0.6253347210619101
Energy: 0.6117388130772576
Energy: 0.5842651103717227
Energy: 0.5963250233637163
Energy: 0.5978798731929806
Energy: 0.5843602094373027
Energy: 0.6120453130405706
Energy: 0.5967797405834723

minimum gb energy = 0.5839828462148746 eV
minimum distance =  2.70322541038755 Angstroms
sigma value = 9


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

Energy: 1.0536386532084585
Energy: 0.6856584550943293
Energy: 0.6403516322029811
Energy: 0.6301358773656107
Energy: 0.6532124212570128
Energy: 0.7139647909331871
Energy: 0.701259207161083
Energy: 0.6546900006517319
Energy: 0.6415262099486341
Energy: 0.6393430594790754
Energy: 0.640883873432368
Energy: 0.642782591607839
Energy: 0.6404601155214262
Energy: 0.6404619070937021
Energy: 0.6192259223602526
Energy: 0.6410948396140809
Energy: 0.6394027621165722
Energy: 0.6198142289854361
Energy: 0.6336296430775746
Energy: 0.6400460155502731
Energy: 0.656372026848093
Energy: 0.6340073042578303
Energy: 0.6390376130680916
Energy: 0.6413833070930964
Energy: 0.6740247598923816
Energy: 0.6185279998290801
Energy: 0.6202451641159138
Energy: 0.6156466723636322
Energy: 0.6422361014330753
Energy: 0.6161154021916929
Energy: 0.6482404141930005
Energy: 0.6484897975195854
Energy: 0.6472631468276046
Energy: 0.6488223487528021
Energy: 0.6437215508872782
Energy: 0.6470835097822147
Energy: 0.6278537800994641
Energy: 0.6465852763750077
Energy: 0.6287260634489983
Energy: 0.628420451352376
Energy: 0.649019964737827
Energy: 0.6356324791777124
Energy: 0.6512105579406136
Energy: 0.6449621380271651
Energy: 0.6354769448843595
Energy: 0.6299718489648077
Energy: 0.6458427524182371
Energy: 0.649918886167835
Energy: 0.6695808168753559
Energy: 0.6312961457915961
Energy: 0.6203754782630199
Energy: 0.652062389786358
Energy: 0.6390476877944781
Energy: 0.6428808924593215
Energy: 0.654780826455258
Energy: 0.631693545880614
Energy: 0.6212210527158398
Energy: 0.6521361120357262
Energy: 0.6292676679994648
Energy: 0.6159297738692359
Energy: 0.6511899930861131
Energy: 0.6342952450473702
Energy: 0.6161882835715548
Energy: 0.6373930627908772
Energy: 0.6497688127231004
Energy: 0.6158838714357135
Energy: 0.6513021005474199
Energy: 0.6411426689908354
Energy: 0.6422513069784359
Energy: 0.6411089628876943
Energy: 0.6402194271586393
Energy: 0.642705416071205
Energy: 0.6737514958320181
Energy: 0.6387497193672699
Energy: 0.6423606056980418
Energy: 0.6558716931660352
Energy: 0.6362263534280451
Energy: 0.646885041810695
Energy: 0.656889143879364
Energy: 0.6397235701533367
Energy: 0.6404985843625495
Energy: 0.6298692778436034
Energy: 0.616329770314387
Energy: 0.6417536780703791
Energy: 0.651079538682176
Energy: 0.6152086822766379
Energy: 0.6159982290502749
Energy: 0.6517311059336881
Energy: 0.6158671209073453
Energy: 0.6153040428347195
Energy: 0.6408037979150532
Energy: 0.6422392960126684
Energy: 0.614823403089101
Energy: 0.6413423441439351
Energy: 0.6394355426921046
Energy: 0.6204495486027863
Energy: 0.6480146521138762
Energy: 0.640120583226448
Energy: 0.6559094471975232
Energy: 0.648044485755355
Energy: 0.6395842219722463
Energy: 0.6410805908236685
Energy: 0.7430420943541793
Energy: 0.6280641398602779
Energy: 0.6165611573387381
Energy: 0.6182775409914246
Energy: 0.6433003379724638
Energy: 0.6165776308773313
Energy: 0.6408339603625527
Energy: 0.6426205963598108
Energy: 0.6421521913800576
Energy: 0.6410014151605978
Energy: 0.6305817752405863
Energy: 0.6424617458020355
Energy: 0.6406571728900585
Energy: 0.6424171180337825
Energy: 0.6412076206421602
Energy: 0.6410793985063487
Energy: 0.6521331965634889
Energy: 0.6418874174115522
Energy: 0.6443094474486067
Energy: 0.6454598382183117
Energy: 0.6288163611405412
Energy: 0.6455303091941497
Energy: 0.6436508600306186
Energy: 0.6155502687330557

minimum gb energy = 0.614823403089101 eV
minimum distance =  2.70801536263775 Angstroms
sigma value = 27


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

Energy: 0.6269012323819795
Energy: 0.9125782828557106
Energy: 0.5989688947391826
Energy: 0.5984782168950548
Energy: 0.909519299380818
Energy: 0.5996829268946234
Energy: 0.5963328651160579
Energy: 0.593657679393013
Energy: 0.5945117440234714
Energy: 0.6058126308273265
Energy: 0.5929356693987041
Energy: 0.601400652537621
Energy: 0.6202967014735628
Energy: 0.6041615176590516
Energy: 0.6016804058703379
Energy: 0.6098175335196537
Energy: 0.6025076221853918
Energy: 0.6015131970294331
Energy: 0.5941877445470207
Energy: 0.6051902416772396
Energy: 0.5946931590999476
Energy: 0.5943966934191973
Energy: 0.6048574635518068
Energy: 0.594408222292477
Energy: 0.6427025928629301
Energy: 0.5948692331938653
Energy: 0.5958439930489843
Energy: 0.5978130075401167
Energy: 0.5988791294196527
Energy: 0.6066467606609826
Energy: 0.617390339413405
Energy: 0.6043028308114561
Energy: 0.6020291066905934
Energy: 0.605716697645828
Energy: 0.6047824581587324
Energy: 0.602080366211113
Energy: 0.5940935563092231
Energy: 0.6040567597026444
Energy: 0.6009374687909851
Energy: 0.594547864329513
Energy: 0.5985163489033065
Energy: 0.5998707767752604
Energy: 0.595417985145338
Energy: 0.6166766916810074
Energy: 0.5921217076409571
Energy: 0.5956972126834761
Energy: 0.6265160856270978
Energy: 0.5944143887637483
Energy: 0.7122262792030232
Energy: 0.5967141699322064
Energy: 0.6029159893474941
Energy: 0.5941597169887164
Energy: 0.5966579887234705
Energy: 0.6015559542574169
Energy: 0.6210847154097632
Energy: 0.595673398044666
Energy: 0.5927540847627133
Energy: 0.592974483970462
Energy: 0.5937214118654667
Energy: 0.5927665715528476
Energy: 0.5957181480389105
Energy: 0.5900351893260707
Energy: 0.5993447254940599
Energy: 0.5960794064475059
Energy: 0.5977587592723068
Energy: 0.5926762074807821
Energy: 0.5953892813463522
Energy: 0.6054921202835171
Energy: 0.602558406897543
Energy: 0.5933875713526953
Energy: 0.605545939923343
Energy: 0.601299511923986
Energy: 0.6312868908152441
Energy: 0.596112466514789
Energy: 0.5867169018790215
Energy: 0.5987829688920749
Energy: 0.5937679120945613
Energy: 0.5992156828920527
Energy: 0.6291772331535394
Energy: 0.5943214238422679
Energy: 0.5941738450150759
Energy: 0.6003938209668362
Energy: 0.5961373981328287
Energy: 0.5863722463331368
Energy: 0.5971397569297842
Energy: 0.5923540588709406
Energy: 0.5939428639197737
Energy: 0.5979225228718591
Energy: 0.5911652905268752
Energy: 0.5935829182853397
Energy: 0.592535355738705
Energy: 0.6021945658031305
Energy: 0.6016925244516628
Energy: 0.6057806480325961
Energy: 0.6037103261602252
Energy: 0.6023290263314641
Energy: 0.6113072374209946
Energy: 0.5937203006064289
Energy: 0.5950314747642308
Energy: 0.5965222862363928
Energy: 0.5936357394600864
Energy: 0.5932165103434356
Energy: 0.6190419157026565
Energy: 0.5941467705537866
Energy: 0.5960464514066512
Energy: 0.6057702273629721
Energy: 0.5969074645638303
Energy: 0.6005707060860009
Energy: 0.5919801584551309
Energy: 0.5992663400045699
Energy: 0.6000822824724213
Energy: 0.5925462930466538
Energy: 0.5990409265657017
Energy: 0.5934281765978879
Energy: 0.5964432019063364
Energy: 0.5995001591170046
Energy: 0.6000470436736275
Energy: 0.597253295225638
Energy: 0.5990663830818151
Energy: 0.5934235206700798
Energy: 0.595052659686923
Energy: 0.5934983101872103
Energy: 0.5943314896792659
Energy: 0.605342212381382
Energy: 0.5961501616754521
Energy: 0.5946952009614841
Energy: 0.6147385443769376
Energy: 0.6045920649682619
Energy: 0.6022516788591501
Energy: 0.6033860559100269
Energy: 0.6061168082102784
Energy: 0.6017414583360245
Energy: 0.5958401781883655
Energy: 0.6046900457122533
Energy: 0.6017222374941494
Energy: 0.593193459685957
Energy: 0.6051828161392078
Energy: 0.6016635015649232
Energy: 0.59831223428943
Energy: 0.5910319217563931
Energy: 0.5904074743845741
Energy: 0.5976758285808201
Energy: 0.591085235855968
Energy: 0.600955741209323
Energy: 0.628815433056583
Energy: 0.5965859344793253
Energy: 0.5940597475748147
Energy: 0.599839930620822
Energy: 0.5953998913035763
Energy: 0.5864185922048849

minimum gb energy = 0.5863722463331368 eV
minimum distance =  2.73479688207835 Angstroms
sigma value = 19


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

Energy: 0.6627039512514503
Energy: 0.6170017459449686
Energy: 0.6033988334679007
Energy: 0.617873694912546
Energy: 0.6164812264107442
Energy: 0.6014838229592475
Energy: 0.6335625823545448
Energy: 0.6131185732623079
Energy: 0.6131351462805412
Energy: 0.6139098850383115
Energy: 0.615545550892543
Energy: 0.6143123501601336
Energy: 0.6336014113407639
Energy: 0.607588072644321
Energy: 0.6073795524559257
Energy: 0.6185167984147402
Energy: 0.6076485209989575
Energy: 0.6074439550817945
Energy: 0.6338702645379752
Energy: 0.6077361525851198
Energy: 0.608016157871802
Energy: 0.6150278042930984
Energy: 0.6172770916322382
Energy: 0.6083129309528067
Energy: 0.6480100007200144
Energy: 0.6186796274142413
Energy: 0.610379176502944
Energy: 0.618373390949904
Energy: 0.6305049537740355
Energy: 0.6078010142940536
Energy: 0.6342502029991314
Energy: 0.6143570146885003
Energy: 0.6412032999860015
Energy: 0.6152169460374222
Energy: 0.6102289383432592
Energy: 0.6137270919691079
Energy: 0.6460607529629718
Energy: 0.6051395140100502
Energy: 0.61772103726946
Energy: 0.6315487799987882
Energy: 0.6046257475500851
Energy: 0.6194059393021354
Energy: 0.6342934717351765
Energy: 0.6050244698070106
Energy: 0.614199196312308
Energy: 0.6126220871516619
Energy: 0.6048953449758939
Energy: 0.6134643022151458
Energy: 0.638965604727125
Energy: 0.6140993544026182
Energy: 0.607705007993378
Energy: 0.6069672216884874
Energy: 0.6143083263617883
Energy: 0.6177514165443041
Energy: 0.6392525965645542
Energy: 0.6275578913986481
Energy: 0.6285425278154184
Energy: 0.6074514570330635
Energy: 0.6274439927536288
Energy: 0.6243432787693926
Energy: 0.6337106575815306
Energy: 0.5932220636551988
Energy: 0.5933350224082979
Energy: 0.6304953220297859
Energy: 0.5932562644884419
Energy: 0.5943953093757618
Energy: 0.6277484614889497
Energy: 0.6398560290624046
Energy: 0.5893848458222929
Energy: 0.6020145162354076
Energy: 0.630756841515461
Energy: 0.5894416066370929
Energy: 0.6495825509730112
Energy: 0.6260561685661393
Energy: 0.6199718189594088
Energy: 0.6043895220076834
Energy: 0.6261022887307279
Energy: 0.6182302872786312
Energy: 0.649805530173855
Energy: 0.6269196180078924
Energy: 0.6182217405787748
Energy: 0.5882004527801953
Energy: 0.6252325707112627
Energy: 0.6233871674407819
Energy: 0.627562564387876
Energy: 0.5907803928040479
Energy: 0.5900064925227573
Energy: 0.6023282454854654
Energy: 0.5901778762825567
Energy: 0.5893376375125655
Energy: 0.6280973377806792
Energy: 0.6228982762294875
Energy: 0.5893381574049733
Energy: 0.6032176660534313
Energy: 0.5891980462218984
Energy: 0.5920991820712277
Energy: 0.6403486725076564
Energy: 0.6273624941567608
Energy: 0.6202896281002149
Energy: 0.6126491510703045
Energy: 0.6283473669258834
Energy: 0.6206839949662507
Energy: 0.641532472417938
Energy: 0.598538036995224
Energy: 0.5976798003471852
Energy: 0.6286930813725221
Energy: 0.6027905701318294
Energy: 0.5920161953276295
Energy: 0.6414673306690636
Energy: 0.6077532480630364
Energy: 0.5924985064253911
Energy: 0.620520773588668
Energy: 0.6079771500532801
Energy: 0.6058165099887721
Energy: 0.6291212274626495
Energy: 0.6039199286607516
Energy: 0.5933319989720073
Energy: 0.6090699234931838
Energy: 0.6226732076274675
Energy: 0.6057762387418933
Energy: 0.628944914083115
Energy: 0.5974674894926567
Energy: 0.5919506475534816
Energy: 0.6151725394037396
Energy: 0.6030760868799279
Energy: 0.589258760528901
Energy: 0.6272406630868576
Energy: 0.5933098111791523
Energy: 0.5893867954058897
Energy: 0.5895098341461464
Energy: 0.6033713268689277
Energy: 0.5892305123698015
Energy: 0.6390327958104124
Energy: 0.6193120363043152
Energy: 0.619333340831317
Energy: 0.6371883524307218
Energy: 0.6250462039396215
Energy: 0.616584481131159
Energy: 0.6421250507791608
Energy: 0.5848739459553275
Energy: 0.6021379430738033
Energy: 0.6344733465140894
Energy: 0.5846951099905907
Energy: 0.602281793811501
Energy: 0.649616510198921
Energy: 0.5941201434973855
Energy: 0.5941823086163295
Energy: 0.6056765252050628
Energy: 0.6025821467479824
Energy: 0.5891515263103351
Energy: 0.6472919706070253
Energy: 0.6075515347835007
Energy: 0.6079551996621436
Energy: 0.6063790023711081
Energy: 0.6156468947010378
Energy: 0.6078511687400818
Energy: 0.6337686728394493
Energy: 0.6082004690993018
Energy: 0.6078900521020262
Energy: 0.6176369221926893
Energy: 0.6070976080473935
Energy: 0.6249577950558269
Energy: 0.6334433130685861
Energy: 0.6075954939846362
Energy: 0.6076141342638351
Energy: 0.6142541273807436
Energy: 0.6070987290814077
Energy: 0.6135243385013118
Energy: 0.6619807618932272
Energy: 0.6539337062350233
Energy: 0.6539077086796224
Energy: 0.6164711125161586
Energy: 0.6559798935629714
Energy: 0.6151083990903287

minimum gb energy = 0.5846951099905907 eV
minimum distance =  2.68316178284841 Angstroms
sigma value = 101


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

Energy: 0.9295867209343277
Energy: 0.5885384849370618
Energy: 0.6120749786724358
Energy: 0.5714769495151932
Energy: 0.5933897215736923
Energy: 0.5705477868507016
Energy: 0.6276534393000393
Energy: 0.5914241493737479
Energy: 0.591353824029268
Energy: 0.6304769702061002
Energy: 0.5980678319013899
Energy: 0.6046444105566273
Energy: 0.6290002215812757
Energy: 0.5877513312691284
Energy: 0.5913016185030818
Energy: 0.5921267363030386
Energy: 0.6042070048999293
Energy: 0.5901760017771623
Energy: 0.6261770129514089
Energy: 0.6053674698648787
Energy: 0.6119956114196831
Energy: 0.5991947459472138
Energy: 0.598545903000297
Energy: 0.6126177411557284
Energy: 0.616136364681362
Energy: 0.5919724212062459
Energy: 0.5904501677741629
Energy: 0.6107684592972689
Energy: 0.6177982591038308
Energy: 0.6073504375039805
Energy: 0.616811928479449
Energy: 0.6154459233210239
Energy: 0.62550305461814
Energy: 0.6194789006397025
Energy: 0.6264513016790588
Energy: 0.6260654883759613
Energy: 0.6328956143217593
Energy: 0.5908085541721951
Energy: 0.5905423100239059
Energy: 0.6212053518236466
Energy: 0.6017159512717049
Energy: 0.590236289336181
Energy: 0.6266561141828347
Energy: 0.6025597066137409
Energy: 0.6025543502608707
Energy: 0.6145566214261856
Energy: 0.6187966611660107
Energy: 0.6133019302764404
Energy: 0.6069267967092626
Energy: 0.5880439951025764
Energy: 0.5903990729672624
Energy: 0.6030336947339663
Energy: 0.5879480318238967
Energy: 0.6035584796028641
Energy: 0.6173062838550982
Energy: 0.6051099400449311
Energy: 0.6057677003157694
Energy: 0.6021171901117023
Energy: 0.6218088500497323
Energy: 0.6032757078694598
Energy: 0.6275985913476426
Energy: 0.5660120162958907
Energy: 0.5658124210965034
Energy: 0.6196164283538598
Energy: 0.5667473245010448
Energy: 0.5666297544164022
Energy: 0.6279335476859553
Energy: 0.6026799466050159
Energy: 0.6027759883142384
Energy: 0.6033004719707419
Energy: 0.6037963998329895
Energy: 0.6057171247625112
Energy: 0.6149168157490991
Energy: 0.5884910373559544
Energy: 0.5888583651343586
Energy: 0.600260453476017
Energy: 0.5881664723337696
Energy: 0.5926671884221468
Energy: 0.6240653470252963
Energy: 0.5935215839750961
Energy: 0.590357621564155
Energy: 0.599788527801183
Energy: 0.5936451209729328
Energy: 0.6034285832841182
Energy: 0.6267136545057923
Energy: 0.603081952940309
Energy: 0.6030466083333518
Energy: 0.5928975009804051
Energy: 0.6030311261240114
Energy: 0.6040282502347154
Energy: 0.627124347079186
Energy: 0.6071732094829295
Energy: 0.6046045223782781
Energy: 0.5881443795646671
Energy: 0.618831234868865
Energy: 0.6130399144860512
Energy: 0.6091764747058204
Energy: 0.6565832527006267
Energy: 0.6081597036347125
Energy: 0.5896733033393895
Energy: 0.6583388521343936
Energy: 0.5664154496307477
Energy: 0.6598542638467609
Energy: 0.5909909494051131
Energy: 0.5914067554202441
Energy: 0.6074276889723056
Energy: 0.6240964475890864
Energy: 0.6117422555641905
Energy: 0.6272410857728223
Energy: 0.6029023195707658
Energy: 0.5874915559948934
Energy: 0.588090216157663
Energy: 0.6033863138338196
Energy: 0.590078881635491
Energy: 0.6241522726564229
Energy: 0.6028002425870723
Energy: 0.5887571169494448
Energy: 0.5911545745586767
Energy: 0.6036574436780262
Energy: 0.5920133000271565
Energy: 0.6180157442045879
Energy: 0.5912083548889732
Energy: 0.591565210245116
Energy: 0.6099379899683711
Energy: 0.5910589945196607
Energy: 0.6078621523755343
Energy: 0.6286974681267447
Energy: 0.5910777938094012
Energy: 0.59054648256469
Energy: 0.6289473841229474
Energy: 0.5883972692129076
Energy: 0.6046963184513757
Energy: 0.6237351202949132
Energy: 0.6011652260007867
Energy: 0.5893109651586579
Energy: 0.6154606649012163
Energy: 0.6005164943168493
Energy: 0.5897642395247877
Energy: 0.6300426558355491
Energy: 0.6092003261060642
Energy: 0.6090276087110915
Energy: 0.6154005521468656
Energy: 0.6017011707680435
Energy: 0.6123351054609254
Energy: 0.6153765008871253
Energy: 0.5907181781373875
Energy: 0.5899775735845822
Energy: 0.6066660486096382
Energy: 0.5878867704946963
Energy: 0.6022974427440101
Energy: 0.6073717938379523
Energy: 0.5934586668582149
Energy: 0.592333437762369
Energy: 0.6031654700886696
Energy: 0.5932461346493185
Energy: 0.603330374633283
Energy: 0.6283694419417083
Energy: 0.599421832734312
Energy: 0.5663017194105132
Energy: 0.5913740508144347
Energy: 0.5956293921334407
Energy: 0.5668005487812444
Energy: 0.6278664263732229
Energy: 0.5943951231328244
Energy: 0.5954531781805419
Energy: 0.5935962640228405
Energy: 0.593898405020981
Energy: 0.5907572092662806
Energy: 0.6140160373372767
Energy: 0.6058571583170285
Energy: 0.5925808608080928
Energy: 0.5994222611253317
Energy: 0.6043002602930158
Energy: 0.5909554284142916
Energy: 0.6170157376835499
Energy: 0.5983711632988901
Energy: 0.5996420440003358
Energy: 0.5998444265897537
Energy: 0.5914413713438244
Energy: 0.5915082130060996
Energy: 0.6277622186399346
Energy: 0.6035294646189077
Energy: 0.6030833394743972
Energy: 0.5934536634906575
Energy: 0.6023571395988264
Energy: 0.6083412115963881
Energy: 0.6269725552622849
Energy: 0.6031433478150566
Energy: 0.602557461842231
Energy: 0.5880126592278621
Energy: 0.6062474443447123
Energy: 0.5884663857630892
Energy: 0.6103108152736634
Energy: 0.604102319176081
Energy: 0.5956042253580462
Energy: 0.5891306770788458
Energy: 0.6038345703564719
Energy: 0.5961463271971369

minimum gb energy = 0.5658124210965034 eV
minimum distance =  2.67494644732944 Angstroms
sigma value = 33


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

Energy: 0.009715422907502911
Energy: 0.5489288954284032
Energy: 0.010083950443239448
Energy: 0.010838489085900366
Energy: 0.5503527214795298
Energy: 0.009972792323524675
Energy: 0.29300542317812217
Energy: 0.0712435227006034
Energy: 0.07069434799068729
Energy: 0.07237767340510098
Energy: 0.07256189777237823
Energy: 0.07069470479373711
Energy: 0.7714837945739615
Energy: 0.5485891656967204
Energy: 0.5479146606887053
Energy: 0.5511967231430679
Energy: 0.5503084801426535
Energy: 0.5476218741949993
Energy: 0.2930054231787959
Energy: 0.07124352270262453
Energy: 0.07069434799036005
Energy: 0.07237767340510098
Energy: 0.07256189777237823
Energy: 0.07069470479373711

minimum gb energy = 0.009715422907502911 eV
minimum distance =  2.85539483068945 Angstroms
sigma value = 1