Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045353233814239
cohesive_energy=3.3603034700051637
mass=26.981538
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=[0.0, 2.4293644083678596e-19, 2.9105941821560997e-19, 3.2932740711869995e-19, 3.6091431945801e-19, 3.87569732117868e-19, 4.1038152303275995e-19, 4.30086693454326e-19, 4.47205950788616e-19, 4.621334304875939e-19, 4.75167137405184e-19, 4.86545795859852e-19, 4.96456860517776e-19, 5.050605490423559e-19, 5.12485035564312e-19, 5.188408702713899e-19, 5.242209794083619e-19, 5.28655804331274e-19, 5.31829716243228e-19, 5.341929267783779e-19, 5.359969776682619e-19, 5.37293138565168e-19, 5.380766029391939e-19, 5.38337757730536e-19, 5.38049365936416e-19, 5.37112092605526e-19, 5.35410581020218e-19, 5.32815054873138e-19, 5.29176511737324e-19, 5.243123034765e-19, 5.18009340598344e-19, 5.100080704881479e-19, 4.9999927305555e-19, 4.8760643679156e-19, 4.72368134825586e-19, 4.53723605335728e-19, 4.3097109495629396e-19, 4.03240621775022e-19, 3.69433092620988e-19, 3.2815301164597795e-19, 2.77602736666644e-19, 2.1544308979734597e-19, 1.3858315187577118e-19, 4.2878732820415196e-20, -7.73324198109414e-20, -2.2993317527524196e-19, -4.26178984644e-19, -6.8256409614658195e-19, -1.0240728522135838e-18, -1.4900611196825821e-18, -2.14553881765476e-18, -3.1045216419354596e-18, -4.5832665880521e-18, -7.03717634245284e-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: 0.0 eV

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

Energy: 0.010349723808577365
Energy: 0.011419412019709118
Energy: 0.011161676406298698
Energy: 0.011911927813856023
Energy: 0.27650873604070625
Energy: 0.010769325567555587
Energy: 0.011419412019458685
Energy: 0.04728565914856893
Energy: 0.047354439906194944
Energy: 0.047389515667935866
Energy: 0.047209701774420555
Energy: 0.047261229552202744
Energy: 0.01116167640654913
Energy: 0.04735443990594452
Energy: 0.048817048506243355
Energy: 0.011091090648077347
Energy: 0.047616789424748125
Energy: 0.04795565098604697
Energy: 0.011911927813856023
Energy: 0.047389515667435
Energy: 0.011091090648077347
Energy: 0.01058580682019577
Energy: 0.047496878487883795
Energy: 0.0113626904954666
Energy: 0.27650873604070625
Energy: 0.047209701774170124
Energy: 0.04761678942497074
Energy: 0.047496878487883795
Energy: 0.04721581150766354
Energy: 0.047263849593452985
Energy: 0.010769325567555587
Energy: 0.047261229552202744
Energy: 0.04795565098604697
Energy: 0.011362690495717032
Energy: 0.04726384959370341
Energy: 0.010815280672487626

minimum gb energy = 0.010349723808577365 eV
minimum distance =  2.85396943606834 Angstroms
sigma value = 1


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

Energy: 0.8446343891638944
Energy: 0.5673957448287115
Energy: 0.5418369942442154
Energy: 0.5480879646063059
Energy: 0.6444017652702859
Energy: 0.6839796145991653
Energy: 0.7387411542608313
Energy: 0.527120043261951
Energy: 0.527190417926936
Energy: 0.54853998065498
Energy: 0.5272050041969748
Energy: 0.5269971265302877
Energy: 0.7588739287520345
Energy: 0.5270512731964065
Energy: 0.5274273338200175
Energy: 0.5450603405390231
Energy: 0.5270114561506001
Energy: 0.5272074547228779
Energy: 0.759403468310156
Energy: 0.5206509299199001
Energy: 0.5399561986070055
Energy: 0.5458152355212921
Energy: 0.5205291150473962
Energy: 0.5237256638110013
Energy: 0.7082799081981955
Energy: 0.5309034782356071
Energy: 0.540543370313474
Energy: 0.5488722327300181
Energy: 0.5287741208109555
Energy: 0.5365004191492444
Energy: 0.6977021822666568
Energy: 0.547134983885157
Energy: 0.5504783345902028
Energy: 0.5597686047103188
Energy: 0.5459880017596225
Energy: 0.5535689093605465
Energy: 0.69957621248833
Energy: 0.5538398515274967
Energy: 0.5534904138743036
Energy: 0.5555956395732501
Energy: 0.5655132024108618
Energy: 0.5528812232000455
Energy: 0.6773595129570412
Energy: 0.5585003964846733
Energy: 0.5566557649225408
Energy: 0.5616038134384562
Energy: 0.5527406723099942
Energy: 0.5512255168904011
Energy: 0.5994427644008542
Energy: 0.5532064322017651
Energy: 0.5532165513635964
Energy: 0.5516763702796158
Energy: 0.5575495515334684
Energy: 0.5496156790660379
Energy: 0.5993877244402509
Energy: 0.5266896817278901
Energy: 0.5271154569521843
Energy: 0.5297279636137934
Energy: 0.5267735001445694
Energy: 0.5271357064761206
Energy: 0.5789617918517698
Energy: 0.5303226020496324
Energy: 0.5359865878678752
Energy: 0.6260715531648703
Energy: 0.526814965779211
Energy: 0.5175177359365897
Energy: 0.5288910483096639
Energy: 0.5378232260834693
Energy: 0.5269478558732298
Energy: 0.5287008001779644
Energy: 0.5299269713843267
Energy: 0.5270500424038073
Energy: 0.5273475752822367
Energy: 0.5281538014132248
Energy: 0.527297590214044
Energy: 0.5274563024001607
Energy: 0.5273638278496185
Energy: 0.5272273866360258
Energy: 0.552507196543641
Energy: 0.5238062323924941
Energy: 0.5270597749658671
Energy: 0.5273898861143371
Energy: 0.5367906076811197
Energy: 0.5147994483202678
Energy: 0.5527085042502468
Energy: 0.5273955985547792
Energy: 0.5271248770559973
Energy: 0.5294932033075619
Energy: 0.5421592780245509
Energy: 0.5272620591388966
Energy: 0.5529660806348391
Energy: 0.5392540094537894
Energy: 0.5377391324264624
Energy: 0.5419425541066194
Energy: 0.5457340105890546
Energy: 0.5473916477507415
Energy: 0.6757963789617671
Energy: 0.5544330812423944
Energy: 0.552290181837006
Energy: 0.5400848793482015
Energy: 0.5538873942608535
Energy: 0.5398318381279325
Energy: 0.6481837910608005
Energy: 0.5562106814074701
Energy: 0.5591648155812098
Energy: 0.5537466824423777
Energy: 0.5664458374681948
Energy: 0.5536147104627632
Energy: 0.6474453071835446
Energy: 0.5547958824484893
Energy: 0.5538648382987489
Energy: 0.5482503109520822
Energy: 0.553760361486846
Energy: 0.5538390190439986
Energy: 0.666150879459677
Energy: 0.54524909370438
Energy: 0.546375793203417
Energy: 0.5542090624381626
Energy: 0.5453610392751919
Energy: 0.5535817230244631
Energy: 0.7229154714198937
Energy: 0.5247404621650371
Energy: 0.529332132116954
Energy: 0.5456823856707851
Energy: 0.5778829952637765
Energy: 0.5314898242956784
Energy: 0.7235137239496852
Energy: 0.5390530142163639
Energy: 0.5372777431425866
Energy: 0.5567840987572922
Energy: 0.5400612964208389
Energy: 0.5373428376066859
Energy: 0.7390704562536283
Energy: 0.5273165071226954
Energy: 0.5271447579677491
Energy: 0.5420123548322293
Energy: 0.5276651787391075
Energy: 0.5271595986652649

minimum gb energy = 0.5147994483202678 eV
minimum distance =  2.62538871479469 Angstroms
sigma value = 33


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

Energy: 0.9918806781186269
Energy: 0.56003239119796
Energy: 0.5607228828600089
Energy: 0.5594196221789991
Energy: 0.5693833532747784
Energy: 0.5601103425611824
Energy: 0.6654261419854961
Energy: 0.5475115802440541
Energy: 0.547369165254504
Energy: 0.5527376486379165
Energy: 0.5474448667898715
Energy: 0.5469641362665885
Energy: 0.7353434589546098
Energy: 0.5476404924247497
Energy: 0.547548001461734
Energy: 0.5547685698599888
Energy: 0.54778931511253
Energy: 0.5469661395228442
Energy: 0.7189530842089015
Energy: 0.5662738130444915
Energy: 0.5366433484714954
Energy: 0.5658283210068609
Energy: 0.6070349096782074
Energy: 0.5660135476969669
Energy: 0.6590983508734454
Energy: 0.5554481214555458
Energy: 0.5548888307613071
Energy: 0.5692751135753183
Energy: 0.5553476670473556
Energy: 0.5548074136296854
Energy: 0.7121342027128654
Energy: 0.5571614541753411
Energy: 0.5665053507208829
Energy: 0.5553431161440758
Energy: 0.5551766676938572
Energy: 0.5617434307327271
Energy: 0.7128332637848841
Energy: 0.5579387978295346
Energy: 0.5623050051478259
Energy: 0.5580889793739086
Energy: 0.5640081610577249
Energy: 0.5627066299358829
Energy: 0.6598119073024792
Energy: 0.567231845627538
Energy: 0.5584569111426221
Energy: 0.5698095338934726
Energy: 0.5672518916360414
Energy: 0.5540938952256176
Energy: 0.6015850071400376
Energy: 0.5605410207062193
Energy: 0.5576490999793311
Energy: 0.5560953245929604
Energy: 0.5618447893073211
Energy: 0.557949813587583
Energy: 0.6002168250664741
Energy: 0.5351262231871173
Energy: 0.5356132923541707
Energy: 0.5371041384733826
Energy: 0.5354832952497174
Energy: 0.5355675887964488
Energy: 0.6022633364057648
Energy: 0.5130924051151355
Energy: 0.5135262147558706
Energy: 0.6026872888640782
Energy: 0.5287502524366497
Energy: 0.528353375716062
Energy: 0.5482328216843058
Energy: 0.5282241020916354
Energy: 0.5355778054303256
Energy: 0.5362744474860142
Energy: 0.5282238071877525
Energy: 0.5358354590973294
Energy: 0.54798120658196
Energy: 0.5389608852931427
Energy: 0.5436736559521559
Energy: 0.5445196308061169
Energy: 0.5514568886935848
Energy: 0.5438391512881805
Energy: 0.6063674391836138
Energy: 0.5558007790515448
Energy: 0.5629071362126731
Energy: 0.5612394842775763
Energy: 0.5556967556940802
Energy: 0.5693716247682301
Energy: 0.5959611301113309
Energy: 0.5546741303410275
Energy: 0.5542729656332837
Energy: 0.5551332406360006
Energy: 0.5648708526409609
Energy: 0.5544761466047624
Energy: 0.5934994029757233
Energy: 0.5653778385191965
Energy: 0.5705631131866453
Energy: 0.5537789878053819
Energy: 0.5653392157164531
Energy: 0.5577479866381383
Energy: 0.6776328809789809
Energy: 0.5651951075139758
Energy: 0.5669918637720283
Energy: 0.5829272182782952
Energy: 0.5653156778861639
Energy: 0.5683473508131295
Energy: 0.6507295959331252
Energy: 0.5533211482700571
Energy: 0.5528282980763465
Energy: 0.5503022772455404
Energy: 0.575553667533094
Energy: 0.5566598590841098
Energy: 0.6501681458810402
Energy: 0.5599706723441623
Energy: 0.5606961182168296
Energy: 0.555170974571819
Energy: 0.5588247666835413
Energy: 0.5604703431850966
Energy: 0.6933140581647144
Energy: 0.5385259684600704
Energy: 0.5382618691911887
Energy: 0.5506140273155637
Energy: 0.5399728368744419
Energy: 0.5379821206570535
Energy: 0.7669177697316917
Energy: 0.5407889080692867
Energy: 0.5182566675072311
Energy: 0.5283324877279766
Energy: 0.5405790933554907
Energy: 0.5148891277485044
Energy: 0.7994763723929216
Energy: 0.5384862480525333
Energy: 0.5383831846258739
Energy: 0.5286944841039922
Energy: 0.5384217181156524
Energy: 0.5377902887371124
Energy: 0.685775139387131
Energy: 0.5463819060499006
Energy: 0.5465209687760145
Energy: 0.5581127239425897
Energy: 0.546820919815432
Energy: 0.5458667053984472
Energy: 0.7229041721476325
Energy: 0.5552675889775565
Energy: 0.5590244804471657
Energy: 0.5629552646837236
Energy: 0.633538038750592
Energy: 0.5697884908658304
Energy: 0.6854326309117149
Energy: 0.5564394823843073
Energy: 0.5562947840738859
Energy: 0.570647767320617
Energy: 0.5571862533696246
Energy: 0.5561846089580131
Energy: 0.7118858323030537
Energy: 0.5656749164902934
Energy: 0.5526523942189161
Energy: 0.5633729116674766
Energy: 0.5580107215543831
Energy: 0.5615518989741592
Energy: 0.71273948645424
Energy: 0.5657597541179203
Energy: 0.5472873949917617
Energy: 0.5558442724155905
Energy: 0.5744698884887818
Energy: 0.5552586588922569
Energy: 0.6524263977815115
Energy: 0.5571071480237269
Energy: 0.5548074781600825
Energy: 0.5664856465693766
Energy: 0.5543380316219202
Energy: 0.5642562800171462
Energy: 0.6051521279398206
Energy: 0.5633136692613527
Energy: 0.5620285990232563
Energy: 0.5583917226783878
Energy: 0.559480920610602
Energy: 0.5642273495079482
Energy: 0.5976295651743818
Energy: 0.542734092226747
Energy: 0.551548152075203
Energy: 0.5408485226171281
Energy: 0.5442494729742583
Energy: 0.5517208002356688
Energy: 0.5774925803605196
Energy: 0.5292263592044187
Energy: 0.5282017063025849
Energy: 0.5359156068655545
Energy: 0.5295807904215087
Energy: 0.5351839048170114
Energy: 0.5520585606203308
Energy: 0.5281580971791813
Energy: 0.5282198137600376
Energy: 0.538564987852913
Energy: 0.528401641916648
Energy: 0.5357653724604388
Energy: 0.5508990460142954
Energy: 0.544632809173922
Energy: 0.5441855975818624
Energy: 0.5439485230310602
Energy: 0.5537921438414484
Energy: 0.5445777907849219
Energy: 0.5532513494531449
Energy: 0.562628283069626
Energy: 0.5745603676090298
Energy: 0.5463426592948346
Energy: 0.5636035481581165
Energy: 0.552591006474286
Energy: 0.5975625576224035
Energy: 0.5506584470792136
Energy: 0.5513528656531312
Energy: 0.5473927939115562
Energy: 0.552802889901579
Energy: 0.5515282443901712
Energy: 0.5986540013663753
Energy: 0.5666802302233427
Energy: 0.5655278395368832
Energy: 0.56124952292818
Energy: 0.5655474194919549
Energy: 0.5649726536088937
Energy: 0.5966616330699475
Energy: 0.5702073318704166
Energy: 0.5636034794670503
Energy: 0.5446896728692288
Energy: 0.5695531434518823
Energy: 0.5619892892581374
Energy: 0.6505339401951606
Energy: 0.5625559515022496
Energy: 0.5618049529858171
Energy: 0.5499932344224129
Energy: 0.5636477426859487
Energy: 0.5615205766241494
Energy: 0.6511495457603645
Energy: 0.5638519943537151
Energy: 0.5622811732684617
Energy: 0.5525885540095453
Energy: 0.5691319923269559
Energy: 0.557204108699773
Energy: 0.659135949187899
Energy: 0.5588575269722542
Energy: 0.5593642091031197
Energy: 0.5595136426214261
Energy: 0.559101652022085
Energy: 0.5600978220449766
Energy: 0.8002611038006505
Energy: 0.54704693290778
Energy: 0.5379170138391655
Energy: 0.5346547494344227
Energy: 0.5468984402842771
Energy: 0.5336814837433804

minimum gb energy = 0.5130924051151355 eV
minimum distance =  2.63049115891346 Angstroms
sigma value = 51


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

Energy: 0.8707279437449507
Energy: 0.5920934932762986
Energy: 0.6387343693514214
Energy: 0.6997513859051406
Energy: 0.5870053903410192
Energy: 0.7023200303989136
Energy: 0.6623823217189796
Energy: 0.5454666373214908
Energy: 0.5456721329808529
Energy: 0.5185020802395043
Energy: 0.5464171257401921
Energy: 0.5457497737753182
Energy: 0.7310419779570964
Energy: 0.5497931366508592
Energy: 0.5459459327647171
Energy: 0.5484356240236733
Energy: 0.5507787567812348
Energy: 0.5462039487955471
Energy: 0.7074412774611618
Energy: 0.5495108339301212
Energy: 0.5262324966438111
Energy: 0.5565627694004683
Energy: 0.6017912903177243
Energy: 0.5575288719653843
Energy: 0.6285474702120314
Energy: 0.5513086805678927
Energy: 0.5538820375261212
Energy: 0.5114830629571346
Energy: 0.5485258221379193
Energy: 0.5483747704698476
Energy: 0.6311895532546771
Energy: 0.5712877381752538
Energy: 0.5413407374245507
Energy: 0.5633736177272038
Energy: 0.5726156629250405
Energy: 0.5458843471412144
Energy: 0.6363052686633652
Energy: 0.5503503703840055
Energy: 0.548803530459
Energy: 0.5613191299829
Energy: 0.5530610817935706
Energy: 0.5606913178781578
Energy: 0.6183754545007282
Energy: 0.5513888378909128
Energy: 0.5514729772819061
Energy: 0.5836678516846474
Energy: 0.5541888910679876
Energy: 0.5098701508266297
Energy: 0.5509339576734578
Energy: 0.5298313510551521
Energy: 0.5649973369768971
Energy: 0.5500212745550261
Energy: 0.536943760506291
Energy: 0.5468830280928968
Energy: 0.5479268445970742
Energy: 0.5470048628239617
Energy: 0.5460292267707602
Energy: 0.5503479052386175
Energy: 0.5265122249284359
Energy: 0.5460627084937125
Energy: 0.5490999081971314
Energy: 0.5471828573311776
Energy: 0.5471875208868515
Energy: 0.5490475591532912
Energy: 0.5476553570103868
Energy: 0.554958052299143
Energy: 0.5798876492366349
Energy: 0.5467588818522741
Energy: 0.5460539461894249
Energy: 0.5497147894251259
Energy: 0.5468554009690819
Energy: 0.5459348476007777
Energy: 0.57194893060557
Energy: 0.5705500466405304
Energy: 0.5854368867930674
Energy: 0.5565751774210614
Energy: 0.5886563493274295
Energy: 0.5736308878074975
Energy: 0.5723876588406592
Energy: 0.5803212039028796
Energy: 0.5795315740301937
Energy: 0.5485516413997741
Energy: 0.5577957446844107
Energy: 0.5784496943298446
Energy: 0.6620685663662403
Energy: 0.567654681038696
Energy: 0.5728471840056044
Energy: 0.5671432448806873
Energy: 0.5773721404596714
Energy: 0.572334184682096
Energy: 0.6621260054885694
Energy: 0.5392877550486355
Energy: 0.5473708996098483
Energy: 0.5858151424156518
Energy: 0.5479011033232318
Energy: 0.5845638300005931
Energy: 0.663769480927637
Energy: 0.5598551240736636
Energy: 0.5464876859927541
Energy: 0.5555370634454307
Energy: 0.5614911896763065
Energy: 0.5473139490067378
Energy: 0.7517295407502019
Energy: 0.546995341020904
Energy: 0.5418095382342234
Energy: 0.5523392955658547
Energy: 0.549058086158407
Energy: 0.5388809604278768

minimum gb energy = 0.5098701508266297 eV
minimum distance =  2.63055343124707 Angstroms
sigma value = 19


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

Energy: 0.8066855224269311
Energy: 0.5492604513198135
Energy: 0.6630233643787095
Energy: 0.6632497599201159
Energy: 0.5821546765775064
Energy: 0.6645466735886326
Energy: 0.7618026258308734
Energy: 0.5537369721867536
Energy: 0.5538452594771565
Energy: 0.5678943187431394
Energy: 0.5539471424480107
Energy: 0.553478481346623
Energy: 0.6503295137201641
Energy: 0.5521512850062633
Energy: 0.5683508067722581
Energy: 0.5521250783806094
Energy: 0.5520513862950882
Energy: 0.554165306840755
Energy: 0.6498526147308414
Energy: 0.5704648724515132
Energy: 0.5703865114748063
Energy: 0.5869636592516478
Energy: 0.614441417035695
Energy: 0.5624031323192241
Energy: 0.7113177468252884
Energy: 0.5295078650873983
Energy: 0.5697396251862995
Energy: 0.555828935954436
Energy: 0.5186736915867705
Energy: 0.5698159049710909
Energy: 0.6667375167719681
Energy: 0.5182638816581825
Energy: 0.5704945815631715
Energy: 0.5482849334944634
Energy: 0.5278129992789791
Energy: 0.5536206275388017
Energy: 0.6571055862912699
Energy: 0.5646052066270385
Energy: 0.5512993827138967
Energy: 0.5338056436755302
Energy: 0.5232821675934366
Energy: 0.5339868868849461
Energy: 0.5957756319381453
Energy: 0.4583612540812688
Energy: 0.4572015034715977
Energy: 0.5940227499916217
Energy: 0.5475115988403763
Energy: 0.49740375905636924
Energy: 0.5590301996427097
Energy: 0.49771601145541305
Energy: 0.531469390129946
Energy: 0.535210575405256
Energy: 0.49738304183211596
Energy: 0.5219917955210911
Energy: 0.5560064503663958
Energy: 0.5374521291354805
Energy: 0.5519858760626397
Energy: 0.5492469170684033
Energy: 0.5795499073878094
Energy: 0.5490054759160071
Energy: 0.574082997747087
Energy: 0.5868226309213228
Energy: 0.5775250522429599
Energy: 0.5673927320540557
Energy: 0.5881460246972283
Energy: 0.567356426770733
Energy: 0.6236381527296344
Energy: 0.5578073667358253
Energy: 0.5581078604870945
Energy: 0.5480765103852308
Energy: 0.5374744031627088
Energy: 0.5600726780841064
Energy: 0.5340785842264469
Energy: 0.524014335368712
Energy: 0.56540336881208
Energy: 0.5278311253531212
Energy: 0.5236242664561823
Energy: 0.5671493078247482
Energy: 0.578069406631037
Energy: 0.5805711037608613
Energy: 0.581131350884659
Energy: 0.5513379385011443
Energy: 0.5746123435613643
Energy: 0.6243090501929947
Energy: 0.7167386901641257
Energy: 0.5483153314322909
Energy: 0.560112196698359
Energy: 0.4970840921318545
Energy: 0.5487011218066814
Energy: 0.5233476299688014
Energy: 0.7165117965643675
Energy: 0.5444981103094682
Energy: 0.49762536241694666
Energy: 0.6099073817140763
Energy: 0.5442847673340058
Energy: 0.48416109509493405
Energy: 0.6884206509752135
Energy: 0.5491301921702523
Energy: 0.5445680708061609
Energy: 0.5515677614727796
Energy: 0.5483292363407932
Energy: 0.5513303195910421
Energy: 0.6467724631409035
Energy: 0.5719384323832857
Energy: 0.5570248408192592
Energy: 0.5297353415860601
Energy: 0.5717554560145226
Energy: 0.5945090587949006
Energy: 0.6477863552209208
Energy: 0.5567654194456045
Energy: 0.5402110853718911
Energy: 0.5189686372941054
Energy: 0.5220901052470465
Energy: 0.5945798780501484
Energy: 0.7216489292878744
Energy: 0.5180123200724819
Energy: 0.5221605324851003
Energy: 0.5698134840166645
Energy: 0.5279980101667769
Energy: 0.5425305199194712
Energy: 0.6703985565792652
Energy: 0.5220752418135611
Energy: 0.5405793177993717
Energy: 0.604505474167245
Energy: 0.5400882117901981
Energy: 0.5902874723030217
Energy: 0.6746145642774728
Energy: 0.5492567025631042
Energy: 0.5482202001714995
Energy: 0.5356913825413021
Energy: 0.549024124056416
Energy: 0.543051880054156
Energy: 0.5939868159649254
Energy: 0.6096194621909229
Energy: 0.6114868605987269
Energy: 0.5943643040793087
Energy: 0.609850530733803
Energy: 0.6097687048901234
Energy: 0.5498198199198711
Energy: 0.5500383565504015
Energy: 0.5337774730132852
Energy: 0.5341923551984582
Energy: 0.49983337073433864
Energy: 0.5341293930726195
Energy: 0.549483204274276
Energy: 0.5657219249841363
Energy: 0.5368758809784272
Energy: 0.5419782587979638
Energy: 0.5654326638859456
Energy: 0.5248928696845548
Energy: 0.6351484873181807
Energy: 0.5881615648776007
Energy: 0.5884495548233921
Energy: 0.6191374318433144
Energy: 0.5888493772617244
Energy: 0.56003329574274
Energy: 0.6503774823092938
Energy: 0.5677418587633526
Energy: 0.5332504574596412
Energy: 0.5438135672929143
Energy: 0.5229780336791298
Energy: 0.5246557949016238
Energy: 0.5344797276092492
Energy: 0.5529419561606503
Energy: 0.5680255135238844
Energy: 0.5282124391585546
Energy: 0.5525015346683686
Energy: 0.5682803943097526
Energy: 0.6203295524138558
Energy: 0.5537125050629934
Energy: 0.5532719878014937
Energy: 0.5443774146884253
Energy: 0.552193063953129
Energy: 0.5667609983508101
Energy: 0.7601538396812131
Energy: 0.5542820344949351
Energy: 0.5242084828172439
Energy: 0.48302372411603106
Energy: 0.5949309447179482
Energy: 0.5088400850642969

minimum gb energy = 0.4572015034715977 eV
minimum distance =  2.63366053686859 Angstroms
sigma value = 27


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

Energy: 0.6241590307120349
Energy: 0.5789577013971297
Energy: 0.5802670401390627
Energy: 0.5655434628299509
Energy: 0.652161254531545
Energy: 0.5790749040133534
Energy: 0.5009226318999371
Energy: 0.5514606318217216
Energy: 0.5514242145938086
Energy: 0.5677418165081773
Energy: 0.5514436991780288
Energy: 0.5262224133587126
Energy: 0.5645273047770216
Energy: 0.529170107693102
Energy: 0.5291890007183991
Energy: 0.4936821057881193
Energy: 0.5298692717004269
Energy: 0.5291544614800788
Energy: 0.662774134480152
Energy: 0.5520333261727078
Energy: 0.4987002990079398
Energy: 0.49852914241817076
Energy: 0.6055560753759811
Energy: 0.5169638369745683
Energy: 0.5959777057868294
Energy: 0.5505769775896154
Energy: 0.5101792264786722
Energy: 0.547663301668612
Energy: 0.5440646675000738
Energy: 0.5630083894461675
Energy: 0.5269060284175583
Energy: 0.5507127135718616
Energy: 0.5492941064425433
Energy: 0.5273394340070616
Energy: 0.5512516307480319
Energy: 0.47100554644070763
Energy: 0.528496711753296
Energy: 0.5046393535868198
Energy: 0.5028240281703642
Energy: 0.5291369769186957
Energy: 0.5097077898236051
Energy: 0.5273153631729621
Energy: 0.5293357681014002
Energy: 0.516820296289477
Energy: 0.5743703086231414
Energy: 0.5484258396956007
Energy: 0.5565463780965026
Energy: 0.5281745822052295
Energy: 0.5914232883617693
Energy: 0.5640012437995727
Energy: 0.5019579775514952
Energy: 0.5475434576562437
Energy: 0.5110278307281461
Energy: 0.5249669113303641
Energy: 0.5040896332115575
Energy: 0.5478753205128317
Energy: 0.48771223320328
Energy: 0.5298375896623425
Energy: 0.5291859327261945
Energy: 0.5303785292590573
Energy: 0.5637181353863184
Energy: 0.5342134350215468
Energy: 0.5352783606066083
Energy: 0.5254142969102183
Energy: 0.533296941916018
Energy: 0.5338127518000879
Energy: 0.5009226098784059
Energy: 0.5483589273215672
Energy: 0.5482042654444336
Energy: 0.5096351440194009
Energy: 0.5486107791586806
Energy: 0.5235449566178072

minimum gb energy = 0.47100554644070763 eV
minimum distance =  2.61978553056924 Angstroms
sigma value = 9


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

Energy: 0.9178173337674634
Energy: 0.7362607835178604
Energy: 0.598764737779632
Energy: 0.6019485469691003
Energy: 0.9076187875085773
Energy: 0.6377102353071791
Energy: 0.46119823118691566
Energy: 0.505981472419846
Energy: 0.48092674992908874
Energy: 0.4806277655288902
Energy: 0.5059068713009273
Energy: 0.48174302828292687
Energy: 0.5900347817412466
Energy: 0.4706660131335066
Energy: 0.47038165569322354
Energy: 0.4533477317205845
Energy: 0.47253255463714466
Energy: 0.4706293516347961
Energy: 0.49340332187211344
Energy: 0.47956965737572904
Energy: 0.4849509151155509
Energy: 0.4659114311843156
Energy: 0.5195401696890753
Energy: 0.5194883766750754
Energy: 0.53859318754328
Energy: 0.5747910055439309
Energy: 0.5165077577599465
Energy: 0.5364733872705414
Energy: 0.52025591341202
Energy: 0.5403588491351522
Energy: 0.4936681687093497
Energy: 0.562017998097456
Energy: 0.5150329070823231
Energy: 0.4936566378067948
Energy: 0.5650760131898063
Energy: 0.5040583970872571
Energy: 0.5059207825420814
Energy: 0.4886580077908947
Energy: 0.5066515821472164
Energy: 0.5066505149482725
Energy: 0.47577663465055603
Energy: 0.5093748816443641
Energy: 0.4889046681742917
Energy: 0.5247342930660861
Energy: 0.49277356172388886
Energy: 0.4882247273239193
Energy: 0.5260348186741198
Energy: 0.4880127382273094
Energy: 0.5144529317691943
Energy: 0.5338043412020689
Energy: 0.5157407173607583
Energy: 0.5223501813858205
Energy: 0.5049776816346484
Energy: 0.49179316696532094
Energy: 0.6434728001402191
Energy: 0.5099392603283269
Energy: 0.49969237489546214
Energy: 0.5610865143968299
Energy: 0.6016035874783523
Energy: 0.5455487478392185
Energy: 0.6410350791348914
Energy: 0.48632139346704345
Energy: 0.48624383682047045
Energy: 0.41406881837821896
Energy: 0.48795825897848827
Energy: 0.4866140266538678
Energy: 0.560195258372056
Energy: 0.4948818729672277
Energy: 0.4949339298130548
Energy: 0.4735191018044853
Energy: 0.49518881728902486
Energy: 0.49432766701283626
Energy: 0.8136071178241739
Energy: 0.5781240191857964
Energy: 0.5862741826166663
Energy: 0.6088685382930362
Energy: 0.5733735698989768
Energy: 0.6118927934845514
Energy: 0.5583146922472882
Energy: 0.48605372950705217
Energy: 0.49092420582185514
Energy: 0.4941975270189328
Energy: 0.4799761322653275
Energy: 0.49841375425709483
Energy: 0.4714277276586725
Energy: 0.491801468350133
Energy: 0.4941980881835351
Energy: 0.4729442198801774
Energy: 0.4909419293098298
Energy: 0.5306146283867167
Energy: 0.4746670779143327
Energy: 0.480076075561061
Energy: 0.47352116688381163
Energy: 0.4745336469403153
Energy: 0.4816584973676482
Energy: 0.47345830702335884
Energy: 0.5065622889717781
Energy: 0.5591587547701219
Energy: 0.489495188024194
Energy: 0.5067309013344983
Energy: 0.5293720535094045
Energy: 0.5063581908312589
Energy: 0.5612494288578668
Energy: 0.5430798287014523
Energy: 0.507840934040445
Energy: 0.5605280205068571
Energy: 0.5517084373962022
Energy: 0.5107975779769248
Energy: 0.49076921379975574
Energy: 0.4511615313040391
Energy: 0.4499947698738973
Energy: 0.4793168577693997
Energy: 0.49763512559039347
Energy: 0.473973629340833
Energy: 0.49279029388729434
Energy: 0.4742636257730922
Energy: 0.47305682404758825
Energy: 0.47403165087424365
Energy: 0.47393078096729896
Energy: 0.47299410094907135
Energy: 0.49021051805189164
Energy: 0.47436133554536875
Energy: 0.473957524420278
Energy: 0.47385992509828817
Energy: 0.47400553419857644
Energy: 0.4793764878592757
Energy: 0.5052642607692415
Energy: 0.5063839094901226
Energy: 0.4999509654936116
Energy: 0.544709168157471
Energy: 0.5606108100741554
Energy: 0.5206818442836105
Energy: 0.690860754564693
Energy: 0.506606473581277
Energy: 0.5062604441825915
Energy: 0.5459942767857433
Energy: 0.5065240599958442
Energy: 0.5289971538476111
Energy: 0.4906383493942343
Energy: 0.47307014962758764
Energy: 0.47308253829357916
Energy: 0.4540782383675752
Energy: 0.4763966410297107
Energy: 0.47308913463529373
Energy: 0.6165855588670618
Energy: 0.4729522176238098
Energy: 0.4719845454959684
Energy: 0.5428710759176987
Energy: 0.47110983623393954
Energy: 0.5418474279728248
Energy: 0.533218164605091
Energy: 0.474068282916641
Energy: 0.4908646744841503
Energy: 0.45258925928300103
Energy: 0.5055932676526451
Energy: 0.4904190004225001
Energy: 0.5571853501256677
Energy: 0.5896056085144677
Energy: 0.588395746897376
Energy: 0.5889178719346837
Energy: 0.5886680076083037
Energy: 0.5154511001437784
Energy: 0.49485211390910433
Energy: 0.5477709016470599
Energy: 0.50690100578769
Energy: 0.49519932873823036
Energy: 0.5030203181342181
Energy: 0.5070631173115017
Energy: 0.4873107582719472
Energy: 0.507360006306607
Energy: 0.4802521574749751
Energy: 0.49022867485947536
Energy: 0.47424425780244517
Energy: 0.4858311418225593
Energy: 0.5157167578589932
Energy: 0.5246748500944308
Energy: 0.5311357988917843
Energy: 0.5997664764885662
Energy: 0.5260967257429796
Energy: 0.49259743375021475
Energy: 0.4571483238111724
Energy: 0.49555198938813566
Energy: 0.4967792549537388
Energy: 0.4140979935465876
Energy: 0.4884041554591601
Energy: 0.553942258076007
Energy: 0.7067801402838108
Energy: 0.48656092866693906
Energy: 0.48659346656894314
Energy: 0.560652533776786
Energy: 0.48641465628702446
Energy: 0.5463113273332478
Energy: 0.56021960861122
Energy: 0.502292533129585
Energy: 0.5023975502761386
Energy: 0.47527546533934034
Energy: 0.5031933810114348
Energy: 0.5022314532078499
Energy: 0.5809287462179964
Energy: 0.49496422665219836
Energy: 0.4956162178728845
Energy: 0.5449772632283499
Energy: 0.49495344725426327
Energy: 0.4926578827264319
Energy: 0.6667658744251194
Energy: 0.5141133338980207
Energy: 0.512724236773506
Energy: 0.48302453835867026
Energy: 0.48366489458914236
Energy: 0.5598267751353208
Energy: 0.5200007645956464
Energy: 0.4869527291787828
Energy: 0.5172232374591459
Energy: 0.5199322987769752
Energy: 0.4870863019072546
Energy: 0.5195674098966993
Energy: 0.47362124439949066
Energy: 0.4691432244346738
Energy: 0.4416775697974387
Energy: 0.47425023784210263
Energy: 0.45384944608638694
Energy: 0.4710911721166699
Energy: 0.5062011288497998
Energy: 0.5347015189792804
Energy: 0.4808802870558266
Energy: 0.5061488836402169
Energy: 0.5034512908649004
Energy: 0.48132644167683575
Energy: 0.5069456060408933
Energy: 0.6097835763966423
Energy: 0.6106608513852231
Energy: 0.5067189597684623
Energy: 0.609311117323345
Energy: 0.5307814842843487
Energy: 0.5575753952757224
Energy: 0.5265707667433922
Energy: 0.4779026659471025
Energy: 0.5058640572446628
Energy: 0.5156645690677231
Energy: 0.47856643913165625
Energy: 0.49134185743305875
Energy: 0.47384948836959145
Energy: 0.4711393632769705
Energy: 0.47543325643418427
Energy: 0.47627927274355303
Energy: 0.4734417680567138
Energy: 0.49053013550823743
Energy: 0.47477103817125554
Energy: 0.4733308881647596
Energy: 0.47426190422019227
Energy: 0.4744062444553273
Energy: 0.4726414163803132
Energy: 0.6888613917969852
Energy: 0.5061824615224095
Energy: 0.4999745319646936
Energy: 0.5311989088752781
Energy: 0.5064638364940909
Energy: 0.5290105710877541

minimum gb energy = 0.41406881837821896 eV
minimum distance =  2.56798188076477 Angstroms
sigma value = 57


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

Energy: 0.3210241107386339
Energy: 0.3153936213736986
Energy: 0.2833655910162811
Energy: 0.2781019013888286
Energy: 0.6315562365227287
Energy: 0.3215629481197466
Energy: 0.32134248946190885
Energy: 0.3740256856444314
Energy: 0.37552806393890403
Energy: 0.4209099136261071
Energy: 0.3654419187454374
Energy: 0.37224142271560007
Energy: 0.3877615787615831
Energy: 0.3693528264862915
Energy: 0.3747449918543445
Energy: 0.38186871599533634
Energy: 0.37448146488407263
Energy: 0.3696169590748494
Energy: 0.3897099431859734
Energy: 0.37543567777327835
Energy: 0.3831752397181543
Energy: 0.3827364924577752
Energy: 0.3834150868983987
Energy: 0.3755223959318984
Energy: 0.3904084359279435
Energy: 0.2769934267627227
Energy: 0.29410756324638854
Energy: 0.4071552291505549
Energy: 0.27686761667089693
Energy: 0.39577400312341954
Energy: 0.35816405734930895
Energy: 0.276836533936498
Energy: 0.2770781414582258
Energy: 0.3853344604949649
Energy: 0.27676083139461166
Energy: 0.29071229568256624
Energy: 0.3704608591557292
Energy: 0.3685143496266477
Energy: 0.3824433434793792
Energy: 0.37943321854061934
Energy: 0.3822840213263721
Energy: 0.3842953865829979
Energy: 0.3702333300558541
Energy: 0.3918467054525049
Energy: 0.3737445439789539
Energy: 0.37024588866983477
Energy: 0.3918124593438671
Energy: 0.37217881319499635
Energy: 0.39223893494400514
Energy: 0.3818460004960702
Energy: 0.38411412212853685
Energy: 0.3778477491784194
Energy: 0.3801142181460025
Energy: 0.3840924092489916
Energy: 0.28084285737057635
Energy: 0.3947665503832502
Energy: 0.29138748815180904
Energy: 0.27676133538625886
Energy: 0.3954810590661289
Energy: 0.2774367481338905
Energy: 0.27681782696561796
Energy: 0.38013740174915694
Energy: 0.3805028532839608
Energy: 0.27686770959458185
Energy: 0.3800985988160669
Energy: 0.29331636021321655
Energy: 0.3940375431415382
Energy: 0.3806321551293037
Energy: 0.3799226797360193
Energy: 0.37908028276483474
Energy: 0.3805152232617308
Energy: 0.3805893853265693
Energy: 0.391005268861523
Energy: 0.3928180915710184
Energy: 0.3918045559220388
Energy: 0.3908517122936396
Energy: 0.3934122574153258
Energy: 0.3928220643592392
Energy: 0.3924617842601468
Energy: 0.38159088032235405
Energy: 0.3796534205814073
Energy: 0.40061193623724173
Energy: 0.3798566607875049
Energy: 0.37896108216877566
Energy: 0.37944008916024174
Energy: 0.27679062747570826
Energy: 0.27697672644966614
Energy: 0.3800111432891011
Energy: 0.27966220466761127
Energy: 0.27747098651296037
Energy: 0.37035745336246884
Energy: 0.37774792785721334
Energy: 0.38460300290968813
Energy: 0.3815487877968053
Energy: 0.2769302915111921
Energy: 0.38752192106911526
Energy: 0.3681421125689496
Energy: 0.375614434518361
Energy: 0.38354738606093675
Energy: 0.37991851554049993
Energy: 0.3774090313418513
Energy: 0.3707007632095399
Energy: 0.3896738439671439
Energy: 0.3897663568867629
Energy: 0.3744514807475752
Energy: 0.4030956627453416
Energy: 0.39529607221122887
Energy: 0.3704786410385895
Energy: 0.32126258961373855
Energy: 0.3766830725693843
Energy: 0.39797113397124195
Energy: 0.2768927209613981
Energy: 0.3920574707527389
Energy: 0.38728790749688363

minimum gb energy = 0.27676083139461166 eV
minimum distance =  2.66848018063431 Angstroms
sigma value = 11


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

Energy: 0.7485367127341231
Energy: 0.7555913761757572
Energy: 0.6928397942728228
Energy: 0.6079577206607369
Energy: 0.8757306646112237
Energy: 0.6877872266581383
Energy: 0.6229686948076524
Energy: 0.448425200819973
Energy: 0.4444092726530052
Energy: 0.4509852127650605
Energy: 0.4420164398956147
Energy: 0.45847340088983857
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Energy: 0.4415327106708183
Energy: 0.4571423008207388
Energy: 0.486592484685826
Energy: 0.4421347195366214
Energy: 0.44422052075997
Energy: 0.461844461767468
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Energy: 0.4458209904970643
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Energy: 0.44409373945417485
Energy: 0.4625179984968181
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Energy: 0.5874305795841578
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Energy: 0.5954974901085902
Energy: 0.5670475022831584
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Energy: 0.4614270340974246
Energy: 0.5694825526059036
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Energy: 0.46588747032379585
Energy: 0.44196178579377343
Energy: 0.5429936283796715
Energy: 0.4636873167619415
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Energy: 0.5814419515853648
Energy: 0.6142318588256631
Energy: 0.544219020571874
Energy: 0.5230212783536201
Energy: 0.5957770641645478
Energy: 0.5151830893843685
Energy: 0.641729340715843
Energy: 0.46143500878619764
Energy: 0.45813134827053814
Energy: 0.45676749657134175
Energy: 0.4618250929219265
Energy: 0.43288255166175515
Energy: 0.5712066139718834
Energy: 0.4660297941787101
Energy: 0.4621023199724374
Energy: 0.4418615914104078
Energy: 0.46494130116988835
Energy: 0.43929032473870566
Energy: 0.5214562791431989
Energy: 0.5324620592931061
Energy: 0.5121463183567417
Energy: 0.4921731434032528
Energy: 0.5307994748480198
Energy: 0.5634745666743244
Energy: 0.6119782334270151
Energy: 0.4669296013217328
Energy: 0.4236923693655669
Energy: 0.440968789877191
Energy: 0.46723766028304337
Energy: 0.43786379530573377
Energy: 0.6892268234310116
Energy: 0.6106326150243688
Energy: 0.6089449942310681
Energy: 0.6908044365866093
Energy: 0.6158250049831999
Energy: 0.6270461714815151
Energy: 0.43862808620901195
Energy: 0.44020139472573694
Energy: 0.4410509461697716
Energy: 0.43866593117560565
Energy: 0.4385927086538184
Energy: 0.4374628246017669
Energy: 0.4419987603392295
Energy: 0.43795132187171015
Energy: 0.4384232888429663
Energy: 0.44269748111454277
Energy: 0.4364052298536552
Energy: 0.43942017983687637
Energy: 0.5048753580037377
Energy: 0.43778219705909716
Energy: 0.44046486288347875
Energy: 0.48899551233051053
Energy: 0.44066961488935796
Energy: 0.44949573666479337
Energy: 0.6705616442515929
Energy: 0.4491695520410799
Energy: 0.45230230624840956
Energy: 0.4683161042142118
Energy: 0.44196239771733825
Energy: 0.4245927945055364

minimum gb energy = 0.4236923693655669 eV
minimum distance =  2.58050821450534 Angstroms
sigma value = 41


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

Energy: 0.7359284398768111
Energy: 0.5257818797232569
Energy: 0.5260774098934897
Energy: 0.5201464642852979
Energy: 0.6629576692791522
Energy: 0.5325547445136358
Energy: 0.6975699421392699
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Energy: 0.47200518104897193
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Energy: 0.472149840858081
Energy: 0.4438973642423809
Energy: 0.45093765161296306
Energy: 0.47263238476211766
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Energy: 0.4484632548599244
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Energy: 0.4553137640793846
Energy: 0.445890713109985
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Energy: 0.4633408033876617
Energy: 0.4629222293528441
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Energy: 0.5936939205850832
Energy: 0.5898433200533323
Energy: 0.4841212408161848
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Energy: 0.47358640744352337
Energy: 0.4689897403248561
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Energy: 0.5198924830443864
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Energy: 0.5088903219201183
Energy: 0.5217682145389996
Energy: 0.4919942672856097
Energy: 0.4734137891536221
Energy: 0.6008611786610437
Energy: 0.4631542046197385
Energy: 0.4474841788542075
Energy: 0.4666043738320751
Energy: 0.464721273026701
Energy: 0.4428776137241698
Energy: 0.6027966526689
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Energy: 0.4635954610637215
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Energy: 0.674367689334553
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Energy: 0.4410030276096569
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Energy: 0.4331010531623286
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Energy: 0.5147153832213522
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Energy: 0.4722196141829638
Energy: 0.42678920322427494
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Energy: 0.4610173130226378
Energy: 0.44728595974756225
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Energy: 0.45561503894264566
Energy: 0.4475207403430405
Energy: 0.47575643375024607
Energy: 0.4623958490481119
Energy: 0.47675077080169936
Energy: 0.47202417830674553
Energy: 0.44850707834644216
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Energy: 0.4720254924444482
Energy: 0.46415325012877584
Energy: 0.44303531373604726
Energy: 0.7249550878566736
Energy: 0.5942005584641785
Energy: 0.589912882728543
Energy: 0.7279935125583279
Energy: 0.5967585481082948
Energy: 0.48754669236417764
Energy: 0.5337558468131042
Energy: 0.46718932296611054
Energy: 0.4434416336788461
Energy: 0.4722506498116202
Energy: 0.46735361318863505
Energy: 0.4427832349381096
Energy: 0.5136907224190156
Energy: 0.48799153802338713
Energy: 0.4788665878407897
Energy: 0.524085541981205
Energy: 0.4876019430171304
Energy: 0.4728433537308784
Energy: 0.5334551176742087
Energy: 0.46303252584443755
Energy: 0.4667652620918619
Energy: 0.46232419142099734
Energy: 0.46396336489041784
Energy: 0.44858320648867805
Energy: 0.5952141803922737
Energy: 0.4639297154190651
Energy: 0.4697952929251226
Energy: 0.462972336225059
Energy: 0.4638232847134956
Energy: 0.4470046794393515
Energy: 0.6023007231548465
Energy: 0.47013051697043085
Energy: 0.4699017661989456
Energy: 0.47257713076918734
Energy: 0.6684170792295085
Energy: 0.4462432594295114
Energy: 0.6843352155045861
Energy: 0.4332700114040873
Energy: 0.4644011809652547
Energy: 0.4850106588324435
Energy: 0.43814827929221584
Energy: 0.4472104451395934
Energy: 0.498043246354453
Energy: 0.515846094197317
Energy: 0.5233317341052239
Energy: 0.4638693242807689
Energy: 0.5157450835215538
Energy: 0.5237615367555278
Energy: 0.4646573096244427
Energy: 0.46421828586945674
Energy: 0.45654361101118013
Energy: 0.4648261680502588
Energy: 0.46140921024193843
Energy: 0.4459499051888476
Energy: 0.47564055359478913
Energy: 0.5034759208704225
Energy: 0.485024163376617
Energy: 0.4930326365269317
Energy: 0.5049418938634547
Energy: 0.4852281391415366
Energy: 0.5436746015397173
Energy: 0.46277788116401
Energy: 0.448092040665859
Energy: 0.5440953747015845
Energy: 0.47333589337622917
Energy: 0.46911465396869345
Energy: 0.6866948467220099
Energy: 0.4765102405499797
Energy: 0.4331720195684879
Energy: 0.4392876204180963
Energy: 0.6039628863380601
Energy: 0.44229220221713855

minimum gb energy = 0.42678920322427494 eV
minimum distance =  2.57472884153118 Angstroms
sigma value = 33


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

Energy: 0.588097390037697
Energy: 0.6579736050834519
Energy: 0.6214382140183291
Energy: 0.5728962071274977
Energy: 0.7961160109238818
Energy: 0.6356242360430745
Energy: 0.6275890562529791
Energy: 0.48565694027648526
Energy: 0.4780989145616286
Energy: 0.4750296545135517
Energy: 0.4956880284375244
Energy: 0.5130835134077951
Energy: 0.5293221625815344
Energy: 0.4946617332598843
Energy: 0.4938107516272518
Energy: 0.540171963727267
Energy: 0.5039277091260318
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Energy: 0.5297597470597557
Energy: 0.4768975760211525
Energy: 0.5034017048461059
Energy: 0.533010984211782
Energy: 0.49070378162404105
Energy: 0.4857095042582062
Energy: 0.5287671610504504
Energy: 0.4728777062435192
Energy: 0.5022363833344593
Energy: 0.5313423352124387
Energy: 0.5094783727133083
Energy: 0.5127590553921606
Energy: 0.5793261866422384
Energy: 0.5440295683521105
Energy: 0.5432837497325969
Energy: 0.5707864107626409
Energy: 0.6066051100551966
Energy: 0.5392123611189981
Energy: 0.6321824270466057
Energy: 0.5052333817624578
Energy: 0.5060291595213455
Energy: 0.5354003360481222
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Energy: 0.4917877493811595
Energy: 0.5883732649700695
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Energy: 0.608770495209874
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Energy: 0.49666267007947384
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Energy: 0.8254033583160681
Energy: 0.5466014315253779
Energy: 0.5322966650951018
Energy: 0.5168934194387406
Energy: 0.5693928867413066
Energy: 0.597002241818308

minimum gb energy = 0.4509387415880157 eV
minimum distance =  2.62253706985274 Angstroms
sigma value = 67


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

Energy: 0.6260135125808687
Energy: 0.4294959832210824
Energy: 0.4303818832533316
Energy: 0.6272384972890822
Energy: 0.6264267508285503
Energy: 0.4282765669975493
Energy: 0.6545602137210299
Energy: 0.41564890056751463
Energy: 0.41434861388748895
Energy: 0.4136982422931741
Energy: 0.41406933102499904
Energy: 0.41429252834820757
Energy: 0.5262282307811358
Energy: 0.39945147554579635
Energy: 0.4144115890074536
Energy: 0.5269142517136499
Energy: 0.3992063648866937
Energy: 0.4140582476238757
Energy: 0.503743286112252
Energy: 0.41391971984800335
Energy: 0.42111172365780725
Energy: 0.503955746519199
Energy: 0.41418579476961914
Energy: 0.4138326347995512
Energy: 0.5039821581826224
Energy: 0.4141151495386515
Energy: 0.41420015861922854
Energy: 0.5040066259687364
Energy: 0.4142935479388279
Energy: 0.4144583105694465
Energy: 0.5033831332703157
Energy: 0.4133203465093895
Energy: 0.4142363074964089
Energy: 0.5034253312900026
Energy: 0.5220947744062312
Energy: 0.504074483365592
Energy: 0.6553250041867301
Energy: 0.4157036780518213
Energy: 0.41521847555840913
Energy: 0.5162185842848647
Energy: 0.41411880759724295
Energy: 0.41536763425827855

minimum gb energy = 0.3992063648866937 eV
minimum distance =  2.71935447151481 Angstroms
sigma value = 3


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

Energy: 0.7942638001767499
Energy: 0.7117094397850667
Energy: 0.5830664570667448
Energy: 0.7703729912851465
Energy: 0.8393573910605194
Energy: 0.5839703846900004
Energy: 0.58990062463619
Energy: 0.5700119046970255
Energy: 0.5118864170845642
Energy: 0.5918766537412627
Energy: 0.5470387483824609
Energy: 0.512492723818031
Energy: 0.5836478553851923
Energy: 0.4680564781375808
Energy: 0.46810656613663987
Energy: 0.5826864283997168
Energy: 0.46752947888977825
Energy: 0.47071601938003876
Energy: 0.47548778689195514
Energy: 0.47095687310097406
Energy: 0.47075054113381465
Energy: 0.47605912699446096
Energy: 0.46775158996574934
Energy: 0.4704601661635249
Energy: 0.4813732892521676
Energy: 0.4974251996235543
Energy: 0.4731148828896419
Energy: 0.48168575194479724
Energy: 0.49604960212431604
Energy: 0.472625505971385
Energy: 0.5583996895665561
Energy: 0.49840708526189464
Energy: 0.497457527770665
Energy: 0.5580116552786354
Energy: 0.49523547244379423
Energy: 0.47277967247202535
Energy: 0.5577709009975305
Energy: 0.5079155348564478
Energy: 0.5119333109076447
Energy: 0.5570207311105029
Energy: 0.548433929051917
Energy: 0.510222991615966
Energy: 0.7353037718245502
Energy: 0.7041924414646984
Energy: 0.5898848260393824
Energy: 0.7197094658587087
Energy: 0.703584473995581
Energy: 0.5392966336670526
Energy: 0.527827170567129
Energy: 0.5098616810050922
Energy: 0.5085680843460362
Energy: 0.5293579244571763
Energy: 0.5517624646537176
Energy: 0.4776586388680618
Energy: 0.7081035669756502
Energy: 0.4909720001777376
Energy: 0.49083130266996683
Energy: 0.6962889313241474
Energy: 0.48802476757758734
Energy: 0.5659193618796395
Energy: 0.5647928639010572
Energy: 0.4888711508674816
Energy: 0.48952543613003796
Energy: 0.5638674319139649
Energy: 0.5521762301562694
Energy: 0.5036475836281498
Energy: 0.5449201923225351
Energy: 0.5899328103244427
Energy: 0.47348859169293595
Energy: 0.5620151120659795
Energy: 0.5368990002486074
Energy: 0.4734520294626321
Energy: 0.6018994328469619
Energy: 0.47803478965387725
Energy: 0.4754232504327572
Energy: 0.5474646588556229
Energy: 0.47620637882349964
Energy: 0.4752125495904246
Energy: 0.5488737742141704
Energy: 0.4766485958820802
Energy: 0.4710309185453726
Energy: 0.48911597628824055
Energy: 0.4738593077426765
Energy: 0.47166659681346523
Energy: 0.6459242330194527
Energy: 0.4736446194427232
Energy: 0.47362207018913627
Energy: 0.6321070678935291
Energy: 0.47310434530803086
Energy: 0.5289603966577561
Energy: 0.5485878528480322
Energy: 0.4958895779288337
Energy: 0.49568190081921565
Energy: 0.5493894046575533
Energy: 0.5921835894726764
Energy: 0.49895007196188085
Energy: 0.6627116272434505
Energy: 0.5208995377325427
Energy: 0.5234395306348241
Energy: 0.6665419223900182
Energy: 0.5240949315667204
Energy: 0.633423151613717
Energy: 0.6111240001211854
Energy: 0.5382348091435057
Energy: 0.5026206443818503
Energy: 0.6114745296496827
Energy: 0.5089932450294995
Energy: 0.4976477368608636
Energy: 0.6699616867153632
Energy: 0.628669093622679
Energy: 0.5120763075174615
Energy: 0.4711094558959101
Energy: 0.6255944606268178
Energy: 0.47095896275279714
Energy: 0.6912182286687664
Energy: 0.5067852066122156
Energy: 0.500755529327856
Energy: 0.47126928727282236
Energy: 0.5118974809389735
Energy: 0.488385794681034
Energy: 0.5659420508353209
Energy: 0.5018270556513645
Energy: 0.5012946043603462
Energy: 0.5563248764864377
Energy: 0.49760537050878506
Energy: 0.4997106808804735
Energy: 0.5595918197851367
Energy: 0.5017488124767139
Energy: 0.5767994397577024
Energy: 0.4670542875251149
Energy: 0.5021546260738096
Energy: 0.4956837106189155
Energy: 0.5240518835610518
Energy: 0.5485164872790077
Energy: 0.5249476965022178
Energy: 0.5249759431849695
Energy: 0.5469151894897437
Energy: 0.4680133495748837
Energy: 0.5236850785160818
Energy: 0.47092405369227985
Energy: 0.47100589560643286
Energy: 0.5234792530382016
Energy: 0.47041395246813855
Energy: 0.5193091622299006
Energy: 0.5427842730280091
Energy: 0.4652030814408559
Energy: 0.4653775918804834
Energy: 0.5498336413607137
Energy: 0.5415548640801867
Energy: 0.46492010128018446
Energy: 0.763484770819042
Energy: 0.6489594949900747
Energy: 0.6000641007292048
Energy: 0.46535994512693013
Energy: 0.6430630432703845
Energy: 0.5350625528566127
Energy: 0.600579559519381
Energy: 0.6123050235295988
Energy: 0.6020029309793535
Energy: 0.464777117790768
Energy: 0.6078391509014416
Energy: 0.46534821815055794
Energy: 0.5045906916351202
Energy: 0.46507782108655904
Energy: 0.46589311776368164
Energy: 0.5474355114298339
Energy: 0.5533827440848793
Energy: 0.4649503872640997
Energy: 0.4889729560477138
Energy: 0.4681183678482274
Energy: 0.4675023234731118
Energy: 0.4865074151060622
Energy: 0.4675478227018125
Energy: 0.48561094276823474
Energy: 0.48914647481013396
Energy: 0.49154679589707406
Energy: 0.4851519217623332
Energy: 0.4854702342764961
Energy: 0.5404544646827425
Energy: 0.46677138429624454
Energy: 0.48910528575002665
Energy: 0.5448615560855917
Energy: 0.5069639506177471
Energy: 0.4889696849228677
Energy: 0.49546926717817374
Energy: 0.4952663792539687
Energy: 0.566439423608756
Energy: 0.4990140422326401
Energy: 0.49715956079024465
Energy: 0.5643731460248994
Energy: 0.5262476190757599
Energy: 0.495080075902404
Energy: 0.7378960704527041
Energy: 0.5681093956095578
Energy: 0.5716295875257938
Energy: 0.47230733785157264
Energy: 0.5658921070837908
Energy: 0.5246196259527466
Energy: 0.5294200337724813
Energy: 0.6143595199439815
Energy: 0.5288023447111769
Energy: 0.48907854234051196
Energy: 0.6455053540899689
Energy: 0.4725729836836921
Energy: 0.5789922793799599
Energy: 0.48896768603138324
Energy: 0.48929987103585054
Energy: 0.5804615694314086
Energy: 0.4924830330999981
Energy: 0.5054567593010774
Energy: 0.5837116680878245
Energy: 0.49045298517186064
Energy: 0.49031061314501695
Energy: 0.5843232143806966
Energy: 0.4904407768187389
Energy: 0.5663148757920337
Energy: 0.5481297314247925
Energy: 0.5268827490160546
Energy: 0.5277779723959498
Energy: 0.5254569432984648
Energy: 0.5784250844941983
Energy: 0.5261168717030451
Energy: 0.6057273900289223
Energy: 0.48006173494173926
Energy: 0.47910372751053193
Energy: 0.5931718049483801
Energy: 0.4793638747858758
Energy: 0.527878936574154
Energy: 0.5496454676875844
Energy: 0.4791566030012948
Energy: 0.4715393760103591
Energy: 0.5261306566452776
Energy: 0.4770166287378232
Energy: 0.4712073938726399
Energy: 0.64479027479769
Energy: 0.4737048078889209
Energy: 0.47328751294349913
Energy: 0.4886761959152258
Energy: 0.47367612893155125
Energy: 0.4733989951940469
Energy: 0.543425255494412
Energy: 0.5757134458858612
Energy: 0.4721601836052294
Energy: 0.5525353195362005
Energy: 0.5908081356569308
Energy: 0.4719519850464073
Energy: 0.6012406071588702
Energy: 0.5351275147610473
Energy: 0.6050747323066308
Energy: 0.5885824794375041
Energy: 0.46777446337077333
Energy: 0.5196248428612988
Energy: 0.7034886289986474
Energy: 0.5242266742513676
Energy: 0.5256789789820849
Energy: 0.6692313662450923
Energy: 0.5197678954473972
Energy: 0.58062369099135
Energy: 0.5444005585964576
Energy: 0.47498132410668126
Energy: 0.4720950102552229
Energy: 0.5067431797539869
Energy: 0.610972085718356
Energy: 0.4724130105772809
Energy: 0.6926525527321429
Energy: 0.5049932152875408
Energy: 0.5103611124708282
Energy: 0.6604822620855562
Energy: 0.505171275758256
Energy: 0.5095462341349629
Energy: 0.5146270110343768
Energy: 0.47456678506628325
Energy: 0.4768690634194751
Energy: 0.4737041897365165
Energy: 0.5151982710202201
Energy: 0.4723897962015835
Energy: 0.536727739813083
Energy: 0.5001917630320255
Energy: 0.510992638379414
Energy: 0.5618683080441768
Energy: 0.5143972319933224
Energy: 0.49165618379721066
Energy: 0.5155507841982592
Energy: 0.5439660650939839
Energy: 0.4906587997797971
Energy: 0.5216171881408044
Energy: 0.5140414015623336
Energy: 0.4887556541816838
Energy: 0.5083628753150948
Energy: 0.4705450180529903
Energy: 0.4711463805466435
Energy: 0.5091732650487029
Energy: 0.4707643499661189
Energy: 0.4707743697280075
Energy: 0.5896792228110274
Energy: 0.47066937865193187
Energy: 0.4709629781569311
Energy: 0.5761442894879337
Energy: 0.4709938197747505
Energy: 0.4705153288812458
Energy: 0.5427946110098014
Energy: 0.5685480787753074
Energy: 0.5692145659655119
Energy: 0.5794391148409914
Energy: 0.5461840953536031
Energy: 0.5129885281758867

minimum gb energy = 0.464777117790768 eV
minimum distance =  2.58626435625155 Angstroms
sigma value = 81


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

Energy: 0.8710082527267904
Energy: 0.5863075008789518
Energy: 0.5640572836637291
Energy: 0.7772540759767673
Energy: 0.5995104785670559
Energy: 0.5849403826554981
Energy: 0.5529039940207392
Energy: 0.5694638492462467
Energy: 0.5519062174719986
Energy: 0.5658759170077808
Energy: 0.5680074939919558
Energy: 0.5392590724104032
Energy: 0.5993587125368472
Energy: 0.4947638607997418
Energy: 0.4950862413650151
Energy: 0.5983104293699308
Energy: 0.49563969496967925
Energy: 0.5401000227705358
Energy: 0.518483064445197
Energy: 0.49371336823898226
Energy: 0.516250640692694
Energy: 0.5165224695573252
Energy: 0.5134434415320348
Energy: 0.5209462002578471
Energy: 0.5207930543674266
Energy: 0.5401936607035871
Energy: 0.5279834596585278
Energy: 0.5194609403165723
Energy: 0.5359587163554408
Energy: 0.5263337727336777
Energy: 0.627603277574913
Energy: 0.5236902043057786
Energy: 0.5260863996052444
Energy: 0.6347870867323004
Energy: 0.528152941872994
Energy: 0.5243008550082401
Energy: 0.5472245551960446
Energy: 0.49766635108845486
Energy: 0.5111729244829429
Energy: 0.5566469808736204
Energy: 0.5006661330316623
Energy: 0.5113033243953844
Energy: 0.7198424691194802
Energy: 0.7721112690248948
Energy: 0.7522602823215631
Energy: 0.7203431264116806
Energy: 0.7283248387580381
Energy: 0.4965325003541206
Energy: 0.6776496657564177
Energy: 0.5368791285694168
Energy: 0.5105126026138223
Energy: 0.6527269826157588
Energy: 0.5393414185886621
Energy: 0.5350833101246765
Energy: 0.6694816922674428
Energy: 0.5252308439575454
Energy: 0.5251214187895505
Energy: 0.6748783567326416
Energy: 0.5254428271713277
Energy: 0.5250172763864472
Energy: 0.5787237951659359
Energy: 0.48917516105386016
Energy: 0.5253779891040514
Energy: 0.5600948183271011
Energy: 0.5110784127962572
Energy: 0.5385182026011027
Energy: 0.5781993269346464
Energy: 0.5467644673208988
Energy: 0.541438735543614
Energy: 0.5210034920644483
Energy: 0.5652136659792467
Energy: 0.5247029554987591
Energy: 0.5844355035456634
Energy: 0.5133953679111226
Energy: 0.5136465263223404
Energy: 0.5197051790881294
Energy: 0.5151752404548186
Energy: 0.4816708834265956
Energy: 0.5164526677014236
Energy: 0.5336727163554456
Energy: 0.5227088460220285
Energy: 0.5217965905126642
Energy: 0.5342899812589481
Energy: 0.5263958342565876
Energy: 0.7017543557269248
Energy: 0.657345466670041
Energy: 0.5692451339538035
Energy: 0.5237723259095568
Energy: 0.5355362481617446
Energy: 0.5254367830607416
Energy: 0.5156940491511466
Energy: 0.5164101937077751
Energy: 0.5168701202107846
Energy: 0.5143242826751422
Energy: 0.5861374995922382
Energy: 0.517806903539864
Energy: 0.6975615873568789
Energy: 0.47950005589808675
Energy: 0.47923005360671195
Energy: 0.6857902698018885
Energy: 0.48116330243617317
Energy: 0.49812648163744333
Energy: 0.522284915463414
Energy: 0.5093317546003935
Energy: 0.5250034215211034
Energy: 0.5114677331839567
Energy: 0.5107678332287722
Energy: 0.5029788611572705
Energy: 0.647326045281144
Energy: 0.6089733410808756
Energy: 0.5033598459231724
Energy: 0.503506601023593
Energy: 0.6100233450961301
Energy: 0.5034254396221792
Energy: 0.6474315064599129
Energy: 0.52612652335174
Energy: 0.5042238559052546
Energy: 0.5035761939887705
Energy: 0.5301874308396234
Energy: 0.504648654186676
Energy: 0.5205151189216654
Energy: 0.5090313848860734
Energy: 0.5179512473762086
Energy: 0.5115937211794959
Energy: 0.5116772896466303
Energy: 0.5029952853038904
Energy: 0.5148646602739071
Energy: 0.496240746721709
Energy: 0.5033770187378253
Energy: 0.5133361282261631
Energy: 0.4950188655565981
Energy: 0.5030607790214092
Energy: 0.5148410699940971
Energy: 0.5177847323614664
Energy: 0.513241158022811
Energy: 0.5138728654485829
Energy: 0.5004529350131471
Energy: 0.5153157313128464
Energy: 0.5454829595914766
Energy: 0.5148660137685264
Energy: 0.5168273150085622
Energy: 0.5131425205889864
Energy: 0.5728771802348889
Energy: 0.5233693539297515
Energy: 0.599827380110549
Energy: 0.5302766104827338
Energy: 0.5308734796039123
Energy: 0.6040905342990807
Energy: 0.5378541479305311
Energy: 0.5267615101913495
Energy: 0.7226470758343592
Energy: 0.5134128650305011
Energy: 0.5282245629897486
Energy: 0.4807317315011718
Energy: 0.5133565554319797
Energy: 0.5255013363063329
Energy: 0.7381728169245094
Energy: 0.5470843355960856
Energy: 0.5414148445451736
Energy: 0.533392006347395
Energy: 0.5636940018275243
Energy: 0.5245021782138013
Energy: 0.6605377727511396
Energy: 0.4890551430017087
Energy: 0.5406715042924031
Energy: 0.6431411557205159
Energy: 0.5104907973680105
Energy: 0.5389691188468451
Energy: 0.5908412314621815
Energy: 0.5254011803337821
Energy: 0.5254507814302327
Energy: 0.5833923185311594
Energy: 0.5258534065374985
Energy: 0.525305375101319
Energy: 0.5889841332812455
Energy: 0.525690915910625
Energy: 0.5108528040830599
Energy: 0.5875657290547024
Energy: 0.5461736410548698
Energy: 0.5588930995364241
Energy: 0.6002254484987589
Energy: 0.5829187005383724
Energy: 0.5769432747194008
Energy: 0.5844451069493946
Energy: 0.6062875623369801
Energy: 0.4952334639590065
Energy: 0.5539727173623668
Energy: 0.49720314158912265
Energy: 0.49728897898821445
Energy: 0.5578986222990796
Energy: 0.4991106768160991
Energy: 0.4970284645374735
Energy: 0.6709866899890705
Energy: 0.5208630270914559
Energy: 0.5216150081100835
Energy: 0.553441438834329
Energy: 0.5203524803118168
Energy: 0.5195085805139663
Energy: 0.5211576674617279
Energy: 0.628771944891686
Energy: 0.5326779457719947
Energy: 0.528979549152788
Energy: 0.6269128381143056
Energy: 0.5393235102671821
Energy: 0.517728748220043
Energy: 0.4984457410916089
Energy: 0.5290824647685326
Energy: 0.5180533961107551
Energy: 0.47951331290481924
Energy: 0.5347184056879022
Energy: 0.7631296031746719
Energy: 0.4795352711322001
Energy: 0.4793697628735615
Energy: 0.7083665886813763
Energy: 0.48037182587767163
Energy: 0.7650806807830065
Energy: 0.5748599422502353
Energy: 0.5680137945276734
Energy: 0.5514783428596018
Energy: 0.5501677419526868
Energy: 0.6481164549568507
Energy: 0.5417598587886419
Energy: 0.8692427488017996
Energy: 0.5826931211948261
Energy: 0.564256246117642
Energy: 0.5474297540386471
Energy: 0.5844933528385879
Energy: 0.5848305001478551

minimum gb energy = 0.47923005360671195 eV
minimum distance =  2.67615623908237 Angstroms
sigma value = 43


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

Energy: 0.783213386991834
Energy: 0.7143394411361429
Energy: 0.6199677678658703
Energy: 0.5223236776955792
Energy: 0.7680865270041374
Energy: 0.5223413786565814
Energy: 0.5503153977864168
Energy: 0.5036509536453565
Energy: 0.53051739533702
Energy: 0.5776333134206756
Energy: 0.4961853493404051
Energy: 0.5411047256624997
Energy: 0.6271915841618264
Energy: 0.469080548342042
Energy: 0.4700781238493656
Energy: 0.6276668834029001
Energy: 0.46911919801441726
Energy: 0.48630170965305775
Energy: 0.4848558528347232
Energy: 0.46947578963439907
Energy: 0.4850530933564666
Energy: 0.4849855756987308
Energy: 0.4702690872352363
Energy: 0.4847247741312052
Energy: 0.4844002373582575
Energy: 0.48526618658341636
Energy: 0.49563356382713303
Energy: 0.48457446243925617
Energy: 0.4948848009134016
Energy: 0.4957101117335489
Energy: 0.48513462965343096
Energy: 0.495471172303344
Energy: 0.49596039510182727
Energy: 0.4947543523521449
Energy: 0.48534639044880185
Energy: 0.5154638365748829
Energy: 0.5535986321953628
Energy: 0.48462937792604627
Energy: 0.4846641617943784
Energy: 0.5501726653268929
Energy: 0.4846645593928982
Energy: 0.48463450961351856
Energy: 0.6693955915830478
Energy: 0.48620491348882805
Energy: 0.48656076443500373
Energy: 0.5129667638002001
Energy: 0.48486119394549276
Energy: 0.5532525666370115
Energy: 0.5066928060664241
Energy: 0.48442308641695275
Energy: 0.48435377563188153
Energy: 0.5068884476641182
Energy: 0.6168383825626966
Energy: 0.48543549997126867
Energy: 0.6448453324135488
Energy: 0.5493301801674307
Energy: 0.5489424681103423
Energy: 0.5663128411810402
Energy: 0.5489678551899424
Energy: 0.5718136915961658
Energy: 0.5721031431046537
Energy: 0.5227466460629411
Energy: 0.5138417577756129
Energy: 0.5859677209662151
Energy: 0.5376117918884572
Energy: 0.61165604773119
Energy: 0.5563433369675006
Energy: 0.5785170779450834
Energy: 0.5124187986826897
Energy: 0.5595827596604939
Energy: 0.6287161012704782
Energy: 0.4859738212057363
Energy: 0.7059712469496622
Energy: 0.5118234256740175
Energy: 0.5237473261924639
Energy: 0.46864889460766834
Energy: 0.5117505545408816
Energy: 0.5002561582835826
Energy: 0.5148144830403886
Energy: 0.5129277729584749
Energy: 0.5366884697656834
Energy: 0.5136362169461158
Energy: 0.5194597804779726
Energy: 0.5098489836266801
Energy: 0.46941753608124
Energy: 0.5450197779051211
Energy: 0.4686574276169698
Energy: 0.4690128753615907
Energy: 0.5349125998876609
Energy: 0.46910463859207974
Energy: 0.4675180470027107
Energy: 0.5078386404492261
Energy: 0.4681066802394999
Energy: 0.4675807899102274
Energy: 0.5067403130767182
Energy: 0.46703558597099804
Energy: 0.4670188142977927
Energy: 0.46745015578246396
Energy: 0.4688022887729379
Energy: 0.4670750291284772
Energy: 0.5432655233244881
Energy: 0.46871036091173995
Energy: 0.5515368429360041
Energy: 0.5134400371410035
Energy: 0.5141503433023662
Energy: 0.5749599602086303
Energy: 0.5401683778232277
Energy: 0.46739298080308045
Energy: 0.5988484562043404
Energy: 0.5285587968748913
Energy: 0.5172558459697069
Energy: 0.49655051022945046
Energy: 0.530889514438583
Energy: 0.5118447249383743
Energy: 0.6779047628680939
Energy: 0.5860351626917296
Energy: 0.5170115430143412
Energy: 0.48464787136802057
Energy: 0.642417444331812
Energy: 0.5118129368492607
Energy: 0.5655826725042407
Energy: 0.5404286817524492
Energy: 0.5227040576940087
Energy: 0.5747086059212614
Energy: 0.530911414224963
Energy: 0.5150991882960493
Energy: 0.6140402826061117
Energy: 0.5002599904034084
Energy: 0.5247453614138876
Energy: 0.6136966723968859
Energy: 0.4681576379038824
Energy: 0.5614095047030406
Energy: 0.5398607210859584
Energy: 0.4912148572241694
Energy: 0.5148020792031123
Energy: 0.540511764257049
Energy: 0.5133611918586541
Energy: 0.5140579676799296
Energy: 0.6309663304958057
Energy: 0.5986044698193913
Energy: 0.5542593644423656
Energy: 0.5485539283177773
Energy: 0.591752365741919
Energy: 0.4672054612102945
Energy: 0.5405996172315592
Energy: 0.4668369848264521
Energy: 0.4674252384530062
Energy: 0.5466643594857623
Energy: 0.46701989269599836
Energy: 0.467131713361813
Energy: 0.5198011159530566
Energy: 0.4674717639514815
Energy: 0.468612134167364
Energy: 0.5436836835682729
Energy: 0.46690262498089313
Energy: 0.4675776152907794
Energy: 0.5200042033278767
Energy: 0.5653871269268642
Energy: 0.5196747116440895
Energy: 0.531866087057394
Energy: 0.5219738128112815
Energy: 0.5035590372629962
Energy: 0.5155183644789926
Energy: 0.5376271830599004
Energy: 0.4862817582030178
Energy: 0.5118503992704418
Energy: 0.5042269641953436
Energy: 0.4859101724958084
Energy: 0.675889581895557
Energy: 0.484285322884289
Energy: 0.48514210215094306
Energy: 0.6756354477864202
Energy: 0.5125715056583956
Energy: 0.5584463512753938
Energy: 0.5873306667497291
Energy: 0.5038885585413772
Energy: 0.5370509831329936
Energy: 0.5883567540694028
Energy: 0.5093883738141438
Energy: 0.4853607734828618
Energy: 0.786880434042079
Energy: 0.6385804031229255
Energy: 0.6560805011330283
Energy: 0.5003100831568617
Energy: 0.6695905962677534
Energy: 0.529773606578589

minimum gb energy = 0.4668369848264521 eV
minimum distance =  2.52007692000896 Angstroms
sigma value = 57


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

Energy: 0.6065402063029071
Energy: 0.5401069237669927
Energy: 0.5382450562341748
Energy: 0.6079681995800155
Energy: 0.6904630331075372
Energy: 0.5384958549622179
Energy: 0.43923453810252633
Energy: 0.47833941591057627
Energy: 0.4783597935300805
Energy: 0.4787798984694949
Energy: 0.4782781571507958
Energy: 0.4771206709538053
Energy: 0.6050407350739315
Energy: 0.4379804268618324
Energy: 0.4362402245432358
Energy: 0.6032542284082758
Energy: 0.5541254770654697
Energy: 0.4392200700552977
Energy: 0.47644375490909413
Energy: 0.5124202293150425
Energy: 0.4364971598793197
Energy: 0.4765300266316756
Energy: 0.5528030206061897
Energy: 0.4752619549818582
Energy: 0.4752049887514578
Energy: 0.4517014774808057
Energy: 0.4532164052536448
Energy: 0.4751724666902767
Energy: 0.4516163016532339
Energy: 0.4531103362352124
Energy: 0.43622168444162346
Energy: 0.452877910905144
Energy: 0.4532123426106263
Energy: 0.451622809768176
Energy: 0.47621198192036984
Energy: 0.4515047987296377
Energy: 0.4785897620208529
Energy: 0.4757586074888262
Energy: 0.4749985446700903
Energy: 0.4789201363843887
Energy: 0.47677746690068773
Energy: 0.47517079962002007
Energy: 0.47504634989716
Energy: 0.549415628913364
Energy: 0.5506408886135227
Energy: 0.5327871063411345
Energy: 0.5502254765832417
Energy: 0.47549567620529665
Energy: 0.4784114952160236
Energy: 0.4764871805300123
Energy: 0.47528061168375596
Energy: 0.47889258610365026
Energy: 0.544188071921492
Energy: 0.4771316957631043
Energy: 0.4790348201441773
Energy: 0.4747226833964396
Energy: 0.47490615440285444
Energy: 0.479416770059124
Energy: 0.47502262721856264
Energy: 0.5353922866525882
Energy: 0.544916701677253
Energy: 0.4753879779573236
Energy: 0.47559268423308954
Energy: 0.5446108958775298
Energy: 0.5434344971322203
Energy: 0.47745759243894226
Energy: 0.4366657692451189
Energy: 0.5432382840919308
Energy: 0.4765398127174511
Energy: 0.49743886053513686
Energy: 0.5431636227725452
Energy: 0.5131824176784855
Energy: 0.742761147199972
Energy: 0.4758990855764643
Energy: 0.5130824574548783
Energy: 0.5131449257981869
Energy: 0.47814186003390186
Energy: 0.5130351152998399
Energy: 0.543419362790527
Energy: 0.47883487365983257
Energy: 0.47547779240034327
Energy: 0.5437704465715597
Energy: 0.47905636731360474
Energy: 0.4754832399737756
Energy: 0.4757693929006786
Energy: 0.4624652658126323
Energy: 0.5901088004383575
Energy: 0.47525640115385814
Energy: 0.612104912396912
Energy: 0.4620839889269291
Energy: 0.47498202658932875
Energy: 0.45207341912770566
Energy: 0.45288280500114914
Energy: 0.4756568043043422
Energy: 0.4791215334905212
Energy: 0.47507916634956326
Energy: 0.4761493451121314
Energy: 0.4513961339500381
Energy: 0.4514406982587619
Energy: 0.47586248060996933
Energy: 0.5245417463489016
Energy: 0.4526873411031319
Energy: 0.47606476970246425
Energy: 0.47556666085348437
Energy: 0.45288611131889045
Energy: 0.5124909264991808
Energy: 0.475295404680873
Energy: 0.45333532777145485
Energy: 0.6056973287533893
Energy: 0.4752361860891495
Energy: 0.47550663125034365
Energy: 0.5697959204179963
Energy: 0.47530196889476795
Energy: 0.47573381021639205
Energy: 0.606417415468482
Energy: 0.5380529741883159
Energy: 0.4758618249205911
Energy: 0.5279051136651037
Energy: 0.6055524249233589
Energy: 0.475610598227552
Energy: 0.4786698019477974
Energy: 0.47932124296140616
Energy: 0.47913856822068635
Energy: 0.47817229412878093
Energy: 0.4792454395723022
Energy: 0.47771423804862967
Energy: 0.5500623107233148
Energy: 0.5001026231860465
Energy: 0.5005946197377824
Energy: 0.7318906102294123
Energy: 0.4748613794941124
Energy: 0.500841840278589
Energy: 0.5432078498100839
Energy: 0.478476613382757
Energy: 0.47708635660080795
Energy: 0.5436973859542641
Energy: 0.47932957060730347
Energy: 0.47748794046437026
Energy: 0.7497515999162186
Energy: 0.5373966818009057
Energy: 0.5744045044717413
Energy: 0.5132357142311875
Energy: 0.5429315205580515
Energy: 0.5131486277543792

minimum gb energy = 0.43622168444162346 eV
minimum distance =  2.62493168832285 Angstroms
sigma value = 17


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

Energy: 0.6508599380762887
Energy: 0.5456393376278653
Energy: 0.5443160117677857
Energy: 0.46031687681128475
Energy: 0.6411317521390558
Energy: 0.4602752999734769
Energy: 0.5137952653068176
Energy: 0.47947745810917863
Energy: 0.47926754599799376
Energy: 0.5238126431828374
Energy: 0.48059266179086263
Energy: 0.4797750323803989
Energy: 0.5792599263108412
Energy: 0.4370381783109131
Energy: 0.4369968420372359
Energy: 0.5802379952161728
Energy: 0.4370152822141625
Energy: 0.43698784037445454
Energy: 0.47979634923683256
Energy: 0.43709485445511587
Energy: 0.43711345463457013
Energy: 0.4798929678743741
Energy: 0.4369977378309687
Energy: 0.4793696940217543
Energy: 0.47990913077110237
Energy: 0.48733662297158825
Energy: 0.48786838384359366
Energy: 0.4796812561600153
Energy: 0.4931159254607157
Energy: 0.4879177704246182
Energy: 0.5903760943720643
Energy: 0.42865616102366266
Energy: 0.4801076855755216
Energy: 0.4196777889941971
Energy: 0.42829821336905444
Energy: 0.41981566581195945
Energy: 0.4350304303705529
Energy: 0.42929571517054665
Energy: 0.4283024436370502
Energy: 0.4355005773945842
Energy: 0.43039893362950626
Energy: 0.48217701022536463
Energy: 0.5748661760943145
Energy: 0.523861574043555
Energy: 0.5221762657606327
Energy: 0.48055864056808867
Energy: 0.5547189049396121
Energy: 0.5237539833295932
Energy: 0.4299317860700495
Energy: 0.5268261797220389
Energy: 0.5246966388613109
Energy: 0.43058938680024555
Energy: 0.5019613312135931
Energy: 0.4289799356651352
Energy: 0.42829118703694613
Energy: 0.4797409899598422
Energy: 0.4801493069278199
Energy: 0.4283496928054241
Energy: 0.4289423169502647
Energy: 0.4801023476787282
Energy: 0.5566062937538508
Energy: 0.48641120833047213
Energy: 0.4864553404676431
Energy: 0.5458669954096413
Energy: 0.47948028733250353
Energy: 0.4878831191182468
Energy: 0.558905502291203
Energy: 0.47912787175641625
Energy: 0.47880851399222923
Energy: 0.4790343830508659
Energy: 0.47950060524973465
Energy: 0.478949114188845
Energy: 0.47880139273681926
Energy: 0.5546691155789748
Energy: 0.5223031855469799
Energy: 0.45316917721134903
Energy: 0.581753328519265
Energy: 0.47916886126551184
Energy: 0.5398066473273284
Energy: 0.4796761502743638
Energy: 0.4793822180953417
Energy: 0.5391529991095934
Energy: 0.4797585836570522
Energy: 0.47957445671418825
Energy: 0.6352121875473782
Energy: 0.47918052475711437
Energy: 0.4803781478234031
Energy: 0.5386244405829435
Energy: 0.47919718131776956
Energy: 0.5219020509342448
Energy: 0.6269192004844226
Energy: 0.5537890069819373
Energy: 0.47909023246587257
Energy: 0.5658870959482671
Energy: 0.4860342117306687
Energy: 0.47939089646137173
Energy: 0.5964612306621782
Energy: 0.5220997227576836
Energy: 0.5205455381842155
Energy: 0.49489957508796784
Energy: 0.5819428356831161
Energy: 0.5205325197985933

minimum gb energy = 0.4196777889941971 eV
minimum distance =  2.58911295200634 Angstroms
sigma value = 17


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

Energy: 0.683765625840433
Energy: 0.5416325112076713
Energy: 0.4501729704354304
Energy: 0.4474038459279856
Energy: 0.5456515007124656
Energy: 0.4617830752833834
Energy: 0.6216897538327241
Energy: 0.48991662723729695
Energy: 0.4864861518679162
Energy: 0.5084314414431358
Energy: 0.4882830030396301
Energy: 0.4844817243759695
Energy: 0.5652554306329304
Energy: 0.41118929293068596
Energy: 0.44462697989370303
Energy: 0.5367106643920473
Energy: 0.41122350906230354
Energy: 0.44470793766854405
Energy: 0.4915121275779859
Energy: 0.4448304339179012
Energy: 0.4447884496959655
Energy: 0.4917292770183424
Energy: 0.5803159714456863
Energy: 0.4452170605484903
Energy: 0.4936751382616934
Energy: 0.49605310702488026
Energy: 0.4900402188302119
Energy: 0.461077221040894
Energy: 0.4960791378661095
Energy: 0.49389989530281925
Energy: 0.6137561913744398
Energy: 0.43440793145569395
Energy: 0.41115126394692086
Energy: 0.41164495435011306
Energy: 0.4345179972252284
Energy: 0.4114073668341533
Energy: 0.5611758692016425
Energy: 0.43490137516380095
Energy: 0.43475539159042437
Energy: 0.46553895052047023
Energy: 0.43715350006753084
Energy: 0.4706927630825918
Energy: 0.5352340086943483
Energy: 0.4851752159879307
Energy: 0.4782560066058346
Energy: 0.5264152951960908
Energy: 0.4849143528651262
Energy: 0.4770713607245517
Energy: 0.4157882755597027
Energy: 0.5007780663290763
Energy: 0.4630217119067412
Energy: 0.41687371373177434
Energy: 0.4594340209357092
Energy: 0.4137942123472032
Energy: 0.4146169339091549
Energy: 0.4974001624989607
Energy: 0.4953323277983361
Energy: 0.4149208681960554
Energy: 0.501857497396411
Energy: 0.4951319597734862
Energy: 0.5564197238314798
Energy: 0.41388041064176206
Energy: 0.49201238005881426
Energy: 0.49816341703913725
Energy: 0.41362157545245926
Energy: 0.49182186108181314
Energy: 0.49359065162669585
Energy: 0.4137971742861057
Energy: 0.4136674624389627
Energy: 0.5288390197900942
Energy: 0.41649150508375865
Energy: 0.4531058754769889
Energy: 0.467727393753762
Energy: 0.45148249337374663
Energy: 0.452073952096139
Energy: 0.45093233218867546
Energy: 0.5123194757297818
Energy: 0.4524908726737763
Energy: 0.4333865980311401
Energy: 0.5100353862234681
Energy: 0.5066865964731019
Energy: 0.43405387335441875
Energy: 0.5342154556882922
Energy: 0.4326697166719406
Energy: 0.4326927475875304
Energy: 0.44602026681922097
Energy: 0.4567220103235615
Energy: 0.43282488087675114
Energy: 0.40570693936072344
Energy: 0.43400765624613746
Energy: 0.5346117422764639
Energy: 0.488338913357441
Energy: 0.453861686525406
Energy: 0.5019125571650281
Energy: 0.49466931573909284
Energy: 0.4541424659241363
Energy: 0.49892837292292785
Energy: 0.4878132021848885
Energy: 0.48779899582454594
Energy: 0.4264364882718417
Energy: 0.4876940428671659
Energy: 0.42580153728940034
Energy: 0.5012440776326944
Energy: 0.5231207463538294
Energy: 0.49018768698449555
Energy: 0.5569127190489712
Energy: 0.5431195094771628
Energy: 0.4261487752009191
Energy: 0.5388536326869322
Energy: 0.4907503888409452
Energy: 0.4523723603217169
Energy: 0.49989471936869545
Energy: 0.5991227569484986
Energy: 0.4520378727625171
Energy: 0.6389418883088052
Energy: 0.42678227164905636
Energy: 0.49029663306511895
Energy: 0.6114834503109725
Energy: 0.4265808155483773
Energy: 0.5504757865977542
Energy: 0.5529145120932647
Energy: 0.4945747302654425
Energy: 0.4938308299534844
Energy: 0.5217690177138006
Energy: 0.4961870461385275
Energy: 0.48851763530993036
Energy: 0.5252680698639695
Energy: 0.5307465404440704
Energy: 0.5389130963672606
Energy: 0.42997237752254236
Energy: 0.5357999609730238
Energy: 0.43010742645585126
Energy: 0.5426249427567131
Energy: 0.4967010660367097
Energy: 0.4967874921714026
Energy: 0.56543960077411
Energy: 0.4964815166662969
Energy: 0.5042033108458098
Energy: 0.5496167078709628
Energy: 0.555700613943789
Energy: 0.47215806542836847
Energy: 0.5334002753623558
Energy: 0.560202662951279
Energy: 0.47246425432607503
Energy: 0.48634465200457816
Energy: 0.41120450102312517
Energy: 0.4447264910402052
Energy: 0.486532927350811
Energy: 0.411273026287069
Energy: 0.4449468210810646
Energy: 0.49141657881967893
Energy: 0.4968714392646829
Energy: 0.5137161412698226
Energy: 0.45266020484270475
Energy: 0.49189813385545544
Energy: 0.45225342702056925
Energy: 0.6161880218427772
Energy: 0.4388471133126528
Energy: 0.43869614346377683
Energy: 0.41149965414971346
Energy: 0.5174885079148654
Energy: 0.41147643220878627
Energy: 0.5411192211202237
Energy: 0.43633033539252664
Energy: 0.43629554957717565
Energy: 0.5303219473533117
Energy: 0.4389823279458348
Energy: 0.4368896202006649
Energy: 0.5352524067759047
Energy: 0.4984467132378325
Energy: 0.48317441622064955
Energy: 0.5117326657458982
Energy: 0.4388237782462351
Energy: 0.4835284771725346
Energy: 0.4138759774721423
Energy: 0.4848771489277086
Energy: 0.46289721909972803
Energy: 0.41392668476324573
Energy: 0.4863292086698836
Energy: 0.46647704437662285
Energy: 0.41666373274082785
Energy: 0.4974380548397915
Energy: 0.4949357588708962
Energy: 0.41739990661100607
Energy: 0.5024645571469842
Energy: 0.45217233397638223
Energy: 0.5549965702073251
Energy: 0.49387349687307275
Energy: 0.49225505227468913
Energy: 0.49867945727698826
Energy: 0.49823299445081604
Energy: 0.48832275949635295
Energy: 0.548112928634225
Energy: 0.41428291079410934
Energy: 0.41361390792009156
Energy: 0.5473272774241743
Energy: 0.41573191665453596
Energy: 0.4136279569346351
Energy: 0.5922140945051422
Energy: 0.454308669973831
Energy: 0.4546226020052783
Energy: 0.4555072088206381
Energy: 0.4320516218585968
Energy: 0.45908523278292607
Energy: 0.4369223589798596
Energy: 0.5070814647861801
Energy: 0.5059109001907165
Energy: 0.43402281223946265
Energy: 0.45692420813364776
Energy: 0.5040480235161717
Energy: 0.43261901713515677
Energy: 0.4965999909633321
Energy: 0.4343405628771148
Energy: 0.4330777936678948
Energy: 0.5041071680198793
Energy: 0.4332312697792087
Energy: 0.531479811903973
Energy: 0.5273134529022425
Energy: 0.46880123927782197
Energy: 0.5222581526291077
Energy: 0.5352917925584751
Energy: 0.45676581535160704
Energy: 0.5677814928187588
Energy: 0.4887543807348525
Energy: 0.4861935370581794
Energy: 0.5306404931260448
Energy: 0.4877967557284398
Energy: 0.4862482522402664
Energy: 0.6481985264406024
Energy: 0.5556976646076609
Energy: 0.42702354083620797
Energy: 0.42634925301856974
Energy: 0.5517188848417536
Energy: 0.4264838608076281
Energy: 0.5698671352800933
Energy: 0.4915057539578089
Energy: 0.484167544976088
Energy: 0.539380974021616
Energy: 0.5184098489212889
Energy: 0.5065169870602378
Energy: 0.5405705498339746
Energy: 0.42599915796613075
Energy: 0.48211525771043656
Energy: 0.5399036513639611
Energy: 0.4264996028303463
Energy: 0.5429592859658349
Energy: 0.5655392785162691
Energy: 0.46043858031992846
Energy: 0.4825990846765978
Energy: 0.5371091151650647
Energy: 0.5442756132195361
Energy: 0.49128686428046686
Energy: 0.552202869260479
Energy: 0.5196121868793778
Energy: 0.4866190049967222
Energy: 0.5824284227826195
Energy: 0.5391580731157651
Energy: 0.48830861143381527

minimum gb energy = 0.40570693936072344 eV
minimum distance =  2.58052482894833 Angstroms
sigma value = 57


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

Energy: 0.6158158265459328
Energy: 0.49808585257881677
Energy: 0.4359036668577087
Energy: 0.40345179753367977
Energy: 0.6115178386751989
Energy: 0.43622301869091823
Energy: 0.5674632202703424
Energy: 0.4554401964799971
Energy: 0.45726054475409345
Energy: 0.45590198147254307
Energy: 0.48423491454838063
Energy: 0.4518873309270198
Energy: 0.5176612032409603
Energy: 0.4730145025581904
Energy: 0.38946931836848586
Energy: 0.5183848626036016
Energy: 0.3893345510715467
Energy: 0.419028926878034
Energy: 0.4545643454860167
Energy: 0.38968318957586107
Energy: 0.4197071505815381
Energy: 0.45502427134320705
Energy: 0.5382729368208797
Energy: 0.41876300342393347
Energy: 0.46980999641022286
Energy: 0.4089819921271439
Energy: 0.45622781252186423
Energy: 0.48201157514666865
Energy: 0.4853904678538197
Energy: 0.4554695849400184
Energy: 0.5677968066538817
Energy: 0.4052109708121449
Energy: 0.38986378940655375
Energy: 0.4690092981332885
Energy: 0.4052596427788884
Energy: 0.3895484338148208
Energy: 0.5208726977503455
Energy: 0.4095689908283899
Energy: 0.40535276635185113
Energy: 0.5129703903390355
Energy: 0.40808040495804865
Energy: 0.48709468281797624
Energy: 0.4921691673612991
Energy: 0.4607725190630481
Energy: 0.45941521423847553
Energy: 0.4925124367528838
Energy: 0.45385036805348294
Energy: 0.3836034864206301
Energy: 0.3834904434996989
Energy: 0.42821703891346663
Energy: 0.3826769496002091
Energy: 0.38423273994152796
Energy: 0.512153633798579
Energy: 0.38214132828547204
Energy: 0.3823300656340687
Energy: 0.4608562412811854
Energy: 0.45641202244080165
Energy: 0.3823726224785886
Energy: 0.4675704437888136
Energy: 0.45799244824928714
Energy: 0.530559840101273
Energy: 0.3709373834154154
Energy: 0.4555222914313322
Energy: 0.45988150086996193
Energy: 0.3787266839686806
Energy: 0.45681460109608346
Energy: 0.5008088104018038
Energy: 0.3750338551141787
Energy: 0.3710564786827189
Energy: 0.5009844809568786
Energy: 0.374959615439566
Energy: 0.4519612708239045
Energy: 0.4977166113651403
Energy: 0.45806782515720157
Energy: 0.44829914897487355
Energy: 0.4606653012714924
Energy: 0.46020250914054844
Energy: 0.44865384883193216
Energy: 0.37106048309497713
Energy: 0.4591194745477312
Energy: 0.3707105231367059
Energy: 0.37188479835590355
Energy: 0.5008454678074544
Energy: 0.3707498366240796
Energy: 0.37096167029298666
Energy: 0.4654863504164292
Energy: 0.4636405955479866
Energy: 0.3708792268280537
Energy: 0.45402891927381195
Energy: 0.4606136508068261
Energy: 0.49400932433536604
Energy: 0.3820271040776032
Energy: 0.45699552230459717
Energy: 0.4762845740726521
Energy: 0.3878251944104913
Energy: 0.45578169222011405
Energy: 0.5154819291888253
Energy: 0.3875988558701849
Energy: 0.3821625287546229
Energy: 0.49923451422375137
Energy: 0.3865113641202039
Energy: 0.4261911278183446
Energy: 0.4797640304867221
Energy: 0.4255461164366291
Energy: 0.42582933106497056
Energy: 0.47527172371342696
Energy: 0.4815975884868491
Energy: 0.4303084084974432
Energy: 0.4050935685017151
Energy: 0.4823700566852038
Energy: 0.40528866356084076
Energy: 0.40637515399999974
Energy: 0.5320967591717608
Energy: 0.4051576652107516
Energy: 0.5003348783013163
Energy: 0.4729020829825299
Energy: 0.43049919519799296
Energy: 0.5037181534337573
Energy: 0.4850835787025608
Energy: 0.5142909057405961
Energy: 0.49729240689279397
Energy: 0.45754482171597677
Energy: 0.4599808932031505
Energy: 0.487757421176591
Energy: 0.45553950303111646
Energy: 0.4551148718927793
Energy: 0.5428796265756257
Energy: 0.4518760821986663
Energy: 0.4336744896522455
Energy: 0.4824582067657796
Energy: 0.4575590371018356
Energy: 0.40516605860800764
Energy: 0.5090765748046967
Energy: 0.4828352320789121
Energy: 0.451741620889804
Energy: 0.49780544089517403
Energy: 0.5192551732469324
Energy: 0.45172818862094555
Energy: 0.4909043272320755
Energy: 0.4051516162843704
Energy: 0.4522417054362313
Energy: 0.4916499945205257
Energy: 0.5585655995594427
Energy: 0.45190234825598496
Energy: 0.5216152039359964
Energy: 0.4068052815187417
Energy: 0.40449097628477954
Energy: 0.5236264983250436
Energy: 0.4624285188894134
Energy: 0.451736353978769
Energy: 0.5234099326541457
Energy: 0.4562993878706629
Energy: 0.4518405285879191
Energy: 0.5217878375869468
Energy: 0.5119974657806464
Energy: 0.4516478867373546
Energy: 0.5313135761394822
Energy: 0.47946919576167857
Energy: 0.4191229481152562
Energy: 0.3903741531983653
Energy: 0.5223110134063446
Energy: 0.41898242024418475

minimum gb energy = 0.3707105231367059 eV
minimum distance =  2.59774842655798 Angstroms
sigma value = 43


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

Energy: 0.5674322965105218
Energy: 0.449107097039922
Energy: 0.39996865690199146
Energy: 0.4158928495080325
Energy: 0.521767415928504
Energy: 0.37508517668065944
Energy: 0.43701826594864523
Energy: 0.40466780543008113
Energy: 0.40463815408259135
Energy: 0.4043592396625772
Energy: 0.4280936065896567
Energy: 0.40306206418576085
Energy: 0.45395895362598954
Energy: 0.34068253837731083
Energy: 0.3547766726785352
Energy: 0.45800895664834024
Energy: 0.3985714715658678
Energy: 0.35474286265336713
Energy: 0.4174194379322842
Energy: 0.3549624936281035
Energy: 0.356232029922954
Energy: 0.40754620050315943
Energy: 0.4535942946670451
Energy: 0.379967228857974
Energy: 0.4243442490435509
Energy: 0.3677901433834506
Energy: 0.36836705409501364
Energy: 0.42441136199261636
Energy: 0.4151516042348069
Energy: 0.36878060990774314
Energy: 0.5320266792366425
Energy: 0.3676966591529111
Energy: 0.3549309060123989
Energy: 0.3925257040765371
Energy: 0.3677350148997905
Energy: 0.3991444212910914
Energy: 0.4589743797938427
Energy: 0.36752684886086984
Energy: 0.3675506490009018
Energy: 0.4515140507361741
Energy: 0.37020584445749
Energy: 0.3689629845145836
Energy: 0.43222167680814144
Energy: 0.3917408905434798
Energy: 0.39816776840245144
Energy: 0.43283347544845646
Energy: 0.39209824986898084
Energy: 0.39845049060403126
Energy: 0.34748356317655354
Energy: 0.39835217213571744
Energy: 0.3462672936901844
Energy: 0.3481633119271295
Energy: 0.4499037502952429
Energy: 0.346415352586723
Energy: 0.33774764654912154
Energy: 0.3730368190870109
Energy: 0.40323828270656975
Energy: 0.34631911868824483
Energy: 0.3830751852852563
Energy: 0.406254693880744
Energy: 0.4493482533733139
Energy: 0.3318858335674468
Energy: 0.3669684853113562
Energy: 0.38798909529306547
Energy: 0.3319156376497635
Energy: 0.3916995203771132
Energy: 0.43109204346598456
Energy: 0.33186472468402006
Energy: 0.33185686830469396
Energy: 0.442964539687283
Energy: 0.33181565222384485
Energy: 0.39536058887933684
Energy: 0.4231342574295474
Energy: 0.3963462931920753
Energy: 0.39011656734295863
Energy: 0.424176447587879
Energy: 0.4004231213963532
Energy: 0.39062212422461084
Energy: 0.32301537192394536
Energy: 0.4458797914953851
Energy: 0.3225370762449359
Energy: 0.3239548276406784
Energy: 0.4360330886733129
Energy: 0.3226617556711787
Energy: 0.3227573288828629
Energy: 0.3921963364099339
Energy: 0.3894182150854368
Energy: 0.3226596250776828
Energy: 0.4005770717800596
Energy: 0.38913890957152153
Energy: 0.444106153628059
Energy: 0.3182046020003648
Energy: 0.31809189634376783
Energy: 0.39772334274989246
Energy: 0.31827256043108126
Energy: 0.3884645678883283
Energy: 0.4312057264852419
Energy: 0.31818939229650806
Energy: 0.3183028614969419
Energy: 0.3903237332481513
Energy: 0.31835507929575313
Energy: 0.3872797579346364
Energy: 0.42428960182629205
Energy: 0.3894292064537944
Energy: 0.40014557726588557
Energy: 0.4251323691675299
Energy: 0.3885781753433843
Energy: 0.3850840158268624
Energy: 0.3182192585054144
Energy: 0.43233746934586825
Energy: 0.318158396754657
Energy: 0.3191480502642077
Energy: 0.42924595563234497
Energy: 0.31815536142164275
Energy: 0.4222269566545198
Energy: 0.3960549459863447
Energy: 0.3885367391059178
Energy: 0.4231178826367685
Energy: 0.40100636445714416
Energy: 0.3880965382012976
Energy: 0.4286404911054037
Energy: 0.32259351854864965
Energy: 0.3227419988791522
Energy: 0.3925248941798149
Energy: 0.3226089761462023
Energy: 0.38776354974629434
Energy: 0.4532713603025445
Energy: 0.322833617818843
Energy: 0.3226740443590513
Energy: 0.40351337999771064
Energy: 0.32288868834460616
Energy: 0.3927289512584964
Energy: 0.33177880811333904
Energy: 0.4065941937138446
Energy: 0.3931122823249096
Energy: 0.3316801720569338
Energy: 0.38937854582313824
Energy: 0.3910784696584394
Energy: 0.33211733683895206
Energy: 0.44491760760167
Energy: 0.33189762082349317
Energy: 0.33288643486230535
Energy: 0.44317612669061207
Energy: 0.3319027467314488
Energy: 0.4260194311260156
Energy: 0.3899797585207492
Energy: 0.4054081583984737
Energy: 0.42698275765600174
Energy: 0.40284640404623967
Energy: 0.39608862690425656
Energy: 0.44437028680408697
Energy: 0.3466045414195465
Energy: 0.3464461865505612
Energy: 0.42965909057186363
Energy: 0.34665346231061483
Energy: 0.4082036793174378
Energy: 0.4519097282510035
Energy: 0.346464025894082
Energy: 0.34653265721272103
Energy: 0.39804966874484815
Energy: 0.3464902298838846
Energy: 0.39537530357650463
Energy: 0.3586283966873575
Energy: 0.346740809053685
Energy: 0.3829976867673878
Energy: 0.3675941474066926
Energy: 0.4176004546437224
Energy: 0.38354797880765784
Energy: 0.3686428159181877
Energy: 0.3771848388170514
Energy: 0.3676604181028363
Energy: 0.3696897920379665
Energy: 0.45836498521975017
Energy: 0.367780466576253
Energy: 0.44040169798488615
Energy: 0.4011053048697423
Energy: 0.3770707760639095
Energy: 0.4384304613854584
Energy: 0.397981683199335
Energy: 0.34648335929415125
Energy: 0.459621582046141
Energy: 0.405630062462673
Energy: 0.40476542229344886
Energy: 0.3680117568112817
Energy: 0.40642040947091207
Energy: 0.4027473284469836
Energy: 0.5491084360920448
Energy: 0.4046617133879244
Energy: 0.3893811294944093
Energy: 0.3966489716364519
Energy: 0.4047858921346409
Energy: 0.37846200037458244
Energy: 0.4380430408538526
Energy: 0.4049846226222486
Energy: 0.40462549700080747
Energy: 0.4362995761031555
Energy: 0.45451710501200493
Energy: 0.40449866059006356
Energy: 0.44653935901356223
Energy: 0.3679801030274796
Energy: 0.3677991520843955
Energy: 0.43553817164931957
Energy: 0.47269428402695135
Energy: 0.40466351707250053
Energy: 0.4657149621512645
Energy: 0.37993213801876213
Energy: 0.3682839889450877
Energy: 0.4551975665582786
Energy: 0.37871795540134795
Energy: 0.36825089181062115
Energy: 0.4370203527395263
Energy: 0.40508979926068656
Energy: 0.4047924462850379
Energy: 0.4333055904962169
Energy: 0.4476627495143849
Energy: 0.40445515881247834

minimum gb energy = 0.31809189634376783 eV
minimum distance =  2.56715183542257 Angstroms
sigma value = 81


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

Energy: 0.15881299809699634
Energy: 0.17796940334099487
Energy: 0.0830292901640147
Energy: 0.08398337701520509
Energy: 0.2691247006357152
Energy: 0.15895184977149218
Energy: 0.17882693967974694
Energy: 0.24089050523021985
Energy: 0.2407377677247917
Energy: 0.27974619839625087
Energy: 0.24150767420074762
Energy: 0.23822535384726473
Energy: 0.25401333756806727
Energy: 0.08297746205621752
Energy: 0.08290938161703197
Energy: 0.2775345685755711
Energy: 0.08289323963176833
Energy: 0.08294170016719718
Energy: 0.24993920354749694
Energy: 0.08290193566139586
Energy: 0.08320084248828723
Energy: 0.2488442204902424
Energy: 0.08292419009368825
Energy: 0.10349670172564997
Energy: 0.10306158318001547
Energy: 0.26140225496574665
Energy: 0.26022108305991193
Energy: 0.10380903788486702
Energy: 0.26012009930115165
Energy: 0.2622301858796706
Energy: 0.08320375607372511
Energy: 0.2401930600658892
Energy: 0.08308928824473671
Energy: 0.08449429100586141
Energy: 0.15928625711820113
Energy: 0.08288029058730531
Energy: 0.268466034097089
Energy: 0.24026103483975866
Energy: 0.2404268155765247
Energy: 0.2655074364267252
Energy: 0.24021260435679126
Energy: 0.24035483287709042
Energy: 0.26860442050767164
Energy: 0.08293658749358937
Energy: 0.08289329426254757
Energy: 0.2670340215480197
Energy: 0.08280004876838848
Energy: 0.0829977289203335
Energy: 0.2354371821512731
Energy: 0.08298229897380557
Energy: 0.10414352723426243
Energy: 0.2604713318171446
Energy: 0.08294666227102454
Energy: 0.10440517715625415
Energy: 0.15904838770562893
Energy: 0.25928193171984587
Energy: 0.26129047909078723
Energy: 0.08302796617332357
Energy: 0.26155903662311575
Energy: 0.2582058977165658

minimum gb energy = 0.08280004876838848 eV
minimum distance =  2.75347624953837 Angstroms
sigma value = 3


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

Energy: 0.4733376056177613
Energy: 0.5154585204186829
Energy: 0.4602362442011031
Energy: 0.43474515858088986
Energy: 0.49385837103442615
Energy: 0.4366153041752362
Energy: 0.4622926815774202
Energy: 0.46786428798118906
Energy: 0.4652632384593531
Energy: 0.4915300059797207
Energy: 0.461748182281374
Energy: 0.47250073807128784
Energy: 0.46294060050895214
Energy: 0.4297824152409709
Energy: 0.4285687026192577
Energy: 0.4688964502495291
Energy: 0.37954018354164254
Energy: 0.4717908123712451
Energy: 0.42907502409317266
Energy: 0.42879511032009426
Energy: 0.42824868122082527
Energy: 0.4172572102452342
Energy: 0.3797543547075317
Energy: 0.47675361420375445
Energy: 0.3798792805491439
Energy: 0.46662898323026636
Energy: 0.4710415299396364
Energy: 0.37988114758103336
Energy: 0.4517566332518987
Energy: 0.4408718695663114
Energy: 0.43818980335475477
Energy: 0.46797966373551475
Energy: 0.4303904709897
Energy: 0.413059313063148
Energy: 0.47143556709039564
Energy: 0.41273604536256636
Energy: 0.4276492370135592
Energy: 0.38044884515960026
Energy: 0.4208536143682968
Energy: 0.41057644023702
Energy: 0.38061726106995397
Energy: 0.41260507079665065
Energy: 0.42871975281412283
Energy: 0.41301120064091995
Energy: 0.41282144119578856
Energy: 0.4163896070896194
Energy: 0.4044099342106535
Energy: 0.39280211000653226
Energy: 0.41329907432347335
Energy: 0.4117749126162132
Energy: 0.42904498411943953
Energy: 0.4209344991011206
Energy: 0.3926446762966436
Energy: 0.4288429106658241
Energy: 0.391904851358303
Energy: 0.3814646956272447
Energy: 0.38123080399582754
Energy: 0.3922048706225725
Energy: 0.3825842191134222
Energy: 0.38101379879833425
Energy: 0.422491795226692
Energy: 0.41304132308495395
Energy: 0.4132053198160978
Energy: 0.4041024812052476
Energy: 0.4234580085670266
Energy: 0.4025274008031979
Energy: 0.35890623035803726
Energy: 0.41132178000295416
Energy: 0.4182464158608428
Energy: 0.3588212235264785
Energy: 0.405380226740661
Energy: 0.35919608926330465
Energy: 0.3590049994779651
Energy: 0.3986070812250876
Energy: 0.40268196730708966
Energy: 0.3589918998898749
Energy: 0.3986725818296089
Energy: 0.3587277253936745
Energy: 0.39904310486365135
Energy: 0.40799614817618207
Energy: 0.4024900833408128
Energy: 0.40195162445619353
Energy: 0.40849490330419486
Energy: 0.40365414718234316
Energy: 0.39918883645684783
Energy: 0.3458948353964307
Energy: 0.34570145220140047
Energy: 0.39786548495741636
Energy: 0.3470000840409183
Energy: 0.34555928966124794
Energy: 0.4037698902928156
Energy: 0.3987989016779528
Energy: 0.3983002421861351
Energy: 0.3998697697954101
Energy: 0.4077745624301948
Energy: 0.39863726312588105
Energy: 0.3396745762965058
Energy: 0.4044769247550176
Energy: 0.3960613882013022
Energy: 0.33970732042008844
Energy: 0.3983540088121554
Energy: 0.3394700634266607
Energy: 0.33929672302812103
Energy: 0.39553706631381014
Energy: 0.3976746287416209
Energy: 0.339308538002728
Energy: 0.3954347501457695
Energy: 0.40826497616919544
Energy: 0.4066614929931871
Energy: 0.402806181446873
Energy: 0.3950363138898742
Energy: 0.39542271305655396
Energy: 0.40523735253294807
Energy: 0.3967589502658838
Energy: 0.39433807400287796
Energy: 0.33957811000844534
Energy: 0.33946529044372736
Energy: 0.39517393035968257
Energy: 0.34141236717292867
Energy: 0.3394266288104097
Energy: 0.39514881711454286
Energy: 0.39675962809043297
Energy: 0.398338350144104
Energy: 0.395432806838776
Energy: 0.4041475369442759
Energy: 0.3970602633336268
Energy: 0.3469762665542434
Energy: 0.39757392274248693
Energy: 0.37224437846759206
Energy: 0.34771524583969493
Energy: 0.39998354016400234
Energy: 0.3456404457165521
Energy: 0.3467952670069612
Energy: 0.40243882073381143
Energy: 0.40272402068289753
Energy: 0.34672134905721974
Energy: 0.40290097567938354
Energy: 0.40102979688278345
Energy: 0.4190493830102342
Energy: 0.3590175743807386
Energy: 0.35893387839931945
Energy: 0.4012852441463859
Energy: 0.3590656938570274
Energy: 0.4011853926954267
Energy: 0.4061725584016739
Energy: 0.35955407872078904
Energy: 0.35887232992962903
Energy: 0.407188915356862
Energy: 0.359087679116455
Energy: 0.35897103671550146
Energy: 0.420861213556619
Energy: 0.40625929751346557
Energy: 0.4061550365752744
Energy: 0.4217609923948044
Energy: 0.4097969131493418
Energy: 0.41332085401975865
Energy: 0.3813266213867955
Energy: 0.4058480720283659
Energy: 0.40567047891058544
Energy: 0.38214120994982403
Energy: 0.41057397842933
Energy: 0.3810180385736948
Energy: 0.3697251901457009
Energy: 0.4199729989727751
Energy: 0.4189407873248752
Energy: 0.37067781163559727
Energy: 0.41810415787058686
Energy: 0.4189365356175715
Energy: 0.43164901625766416
Energy: 0.4165679841940251
Energy: 0.4077969275122187
Energy: 0.4065480361490583
Energy: 0.4166202104189573
Energy: 0.40567596676813655
Energy: 0.38034750566377196
Energy: 0.4095759395383521
Energy: 0.41834865567389673
Energy: 0.3811285279788577
Energy: 0.41033892343948813
Energy: 0.4417507791842305
Energy: 0.4336990722328875
Energy: 0.4181410480315968
Energy: 0.4174987098464158
Energy: 0.4283038663231412
Energy: 0.4060835645620861
Energy: 0.41962737867813793
Energy: 0.478091624591274
Energy: 0.4169800084232982
Energy: 0.43907475441980676
Energy: 0.46797269808152064
Energy: 0.3692915201884906
Energy: 0.441257715028893
Energy: 0.392591881335091
Energy: 0.41637084387688716
Energy: 0.4162051950914999
Energy: 0.39142061286986424
Energy: 0.4177172044445724
Energy: 0.47397371875921496

minimum gb energy = 0.33929672302812103 eV
minimum distance =  2.60182355108158 Angstroms
sigma value = 67


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

Energy: 0.5233406292787988
Energy: 0.5217045969353843
Energy: 0.5144274309932022
Energy: 0.5186204923220831
Energy: 0.6814551767169491
Energy: 0.5161241345923292
Energy: 0.49129723288779825
Energy: 0.5302951872995654
Energy: 0.4982377258945757
Energy: 0.543765625666782
Energy: 0.5271349832616978
Energy: 0.4960393888250452
Energy: 0.5168311694130532
Energy: 0.4890396919416127
Energy: 0.5055973044746795
Energy: 0.5159014448989568
Energy: 0.5120607903936859
Energy: 0.5057747710043878
Energy: 0.49299673020084567
Energy: 0.5072910985350363
Energy: 0.5067651493024338
Energy: 0.49370723625450363
Energy: 0.5168587620764193
Energy: 0.5451689072364275
Energy: 0.4618912963811465
Energy: 0.5018349961523805
Energy: 0.5098677108841043
Energy: 0.46178431179160884
Energy: 0.502227056514526
Energy: 0.5062026258063271
Energy: 0.5022931938945884
Energy: 0.5140206401486909
Energy: 0.4852503884544671
Energy: 0.4890859269308172
Energy: 0.5439778902103047
Energy: 0.489575703940569
Energy: 0.4653722522353643
Energy: 0.46179324170576386
Energy: 0.4706521630524129
Energy: 0.4635891447130036
Energy: 0.4577237279627302
Energy: 0.4713104718139011
Energy: 0.4658175617668975
Energy: 0.47906927012490386
Energy: 0.4736376260206238
Energy: 0.46642402615011336
Energy: 0.47546262874254247
Energy: 0.46944798383809083
Energy: 0.4765184791389846
Energy: 0.4893218076543391
Energy: 0.4932647847475346
Energy: 0.4893953667423182
Energy: 0.4224259852499723
Energy: 0.49137470541640044
Energy: 0.4871307061857562
Energy: 0.42494831485258505
Energy: 0.4225264125174058
Energy: 0.47861213465520064
Energy: 0.42390741652269304
Energy: 0.4223875870691539
Energy: 0.49262046804198817
Energy: 0.4762344372597891
Energy: 0.47384213663302915
Energy: 0.4712814769105637
Energy: 0.4762520762144778
Energy: 0.4745296775549802
Energy: 0.40749366629891476
Energy: 0.4729025839765493
Energy: 0.4725812486492665
Energy: 0.40419852916943455
Energy: 0.4714098360116523
Energy: 0.40403513750232456
Energy: 0.4079812356563019
Energy: 0.4732085513456904
Energy: 0.47178631289991957
Energy: 0.40858947998352174
Energy: 0.47508228838899025
Energy: 0.40428594240304255
Energy: 0.47538571530939194
Energy: 0.4705351931820656
Energy: 0.46759475506715226
Energy: 0.4679057522027968
Energy: 0.4691333385328952
Energy: 0.46807798906429404
Energy: 0.47075208746809816
Energy: 0.40701276672382886
Energy: 0.404036078254624
Energy: 0.4715164097330263
Energy: 0.4057169455214325
Energy: 0.40415368318082656
Energy: 0.4708092997563374
Energy: 0.4756610641501084
Energy: 0.4735496408909893
Energy: 0.47388142106871023
Energy: 0.4396919393349824
Energy: 0.4719709208850784
Energy: 0.4248510890767027
Energy: 0.46937294409255065
Energy: 0.47034506673382664
Energy: 0.42433251178876297
Energy: 0.46589792289126447
Energy: 0.42243983384308714
Energy: 0.42495070944452573
Energy: 0.4886697873682975
Energy: 0.4903338652764234
Energy: 0.425025559234104
Energy: 0.4733638753037211
Energy: 0.42515460041499525
Energy: 0.512264600156074
Energy: 0.49648292590107956
Energy: 0.47995133013956864
Energy: 0.4764903689817004
Energy: 0.49978056443918506
Energy: 0.47763116688094315
Energy: 0.46556381938270525
Energy: 0.4651767480019702
Energy: 0.4715121482254985
Energy: 0.46154211388092714
Energy: 0.4661352190156287
Energy: 0.469614445367491
Energy: 0.503155309018328
Energy: 0.5004207821293221
Energy: 0.500383973607569
Energy: 0.5040082760614291
Energy: 0.4955442292866942
Energy: 0.5054687372114642
Energy: 0.5170051823489559
Energy: 0.47580271810252506
Energy: 0.5004017285908068
Energy: 0.5169687087403608
Energy: 0.4977771593996098
Energy: 0.506311395285642
Energy: 0.49194415500772176
Energy: 0.46699480808558647
Energy: 0.4980509601937548
Energy: 0.49183280390287704
Energy: 0.4660532839576378
Energy: 0.4962951219792946

minimum gb energy = 0.40403513750232456 eV
minimum distance =  2.63305845513097 Angstroms
sigma value = 33


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

Energy: 0.652691903560321
Energy: 0.5626567466067908
Energy: 0.5628011181358709
Energy: 0.6560240692920176
Energy: 0.7400665740621973
Energy: 0.5454338233374172
Energy: 0.5083618061374353
Energy: 0.527806580066985
Energy: 0.5279731281725181
Energy: 0.5433983205086845
Energy: 0.531943583460242
Energy: 0.5282470756507386
Energy: 0.5445883993877584
Energy: 0.5374377554801023
Energy: 0.5377083107936704
Energy: 0.5450214795317452
Energy: 0.5319249743317772
Energy: 0.5683708988011398
Energy: 0.5169566783404147
Energy: 0.5381936646025807
Energy: 0.5377346762378704
Energy: 0.5176919399436968
Energy: 0.48286204564381086
Energy: 0.5383028561926642
Energy: 0.4815541831607424
Energy: 0.5281320251236193
Energy: 0.5277573169949081
Energy: 0.4815430459807638
Energy: 0.544678000007768
Energy: 0.5387612097700937
Energy: 0.5758155741326313
Energy: 0.5583513183710913
Energy: 0.5381154566957616
Energy: 0.5466373345856633
Energy: 0.5932927543805225
Energy: 0.5185957354855371
Energy: 0.48146192368583784
Energy: 0.4968767843987784
Energy: 0.5498491300408718
Energy: 0.4814938863178164
Energy: 0.4874940781720421
Energy: 0.48017181943656556
Energy: 0.4822737518095279
Energy: 0.5189242998280292
Energy: 0.5191395843286678
Energy: 0.4828621953387683
Energy: 0.5193486292172371
Energy: 0.4809812668447093
Energy: 0.5238502650516002
Energy: 0.5204249086410755
Energy: 0.5215906870448986
Energy: 0.5219166613755112
Energy: 0.47712064304009405
Energy: 0.5192940454611247
Energy: 0.5112611911278885
Energy: 0.4441159443165963
Energy: 0.44426191608537857
Energy: 0.514635147858229
Energy: 0.4444887645142669
Energy: 0.4439361315659179
Energy: 0.5241053893136265
Energy: 0.5007941271835699
Energy: 0.5096114668479702
Energy: 0.5079334582635009
Energy: 0.5020460866970526
Energy: 0.5091541657900804
Energy: 0.4439705696385344
Energy: 0.5077744629195632
Energy: 0.5139001766958424
Energy: 0.4440705587459303
Energy: 0.5164949541682885
Energy: 0.4443603271032964
Energy: 0.44429671460630193
Energy: 0.5244404608046597
Energy: 0.5249490244724669
Energy: 0.44432576708289045
Energy: 0.5063356869693658
Energy: 0.4440737176702023
Energy: 0.5310976458502121
Energy: 0.5202226645727912
Energy: 0.519042482143949
Energy: 0.5296522380277403
Energy: 0.5210856724171722
Energy: 0.5066102111961243
Energy: 0.5079364152952085
Energy: 0.4814114547497359
Energy: 0.4807846823029342
Energy: 0.5085593695699017
Energy: 0.4818696424810586
Energy: 0.4920644683824382
Energy: 0.5207482919675356
Energy: 0.5292669362390715
Energy: 0.5290934087895428
Energy: 0.5279180930234267
Energy: 0.4517842636596653
Energy: 0.5389105984656039
Energy: 0.5431745991588993
Energy: 0.52940905718402
Energy: 0.5293283570415941
Energy: 0.5429460997773912
Energy: 0.5292153191481812
Energy: 0.5203656062313875
Energy: 0.5446124202936222
Energy: 0.48239915210293793
Energy: 0.5296605070814173
Energy: 0.5444567886474913
Energy: 0.4812929726282119
Energy: 0.5252863181996835
Energy: 0.6487746852129356
Energy: 0.5284227574226437
Energy: 0.5463693197108391
Energy: 0.5720121190360498
Energy: 0.5692567478614994
Energy: 0.5215584511089454
Energy: 0.5085240859240102
Energy: 0.5279621618441271
Energy: 0.527731773853063
Energy: 0.5085069947408563
Energy: 0.5449227878405364
Energy: 0.5279982880183004
Energy: 0.5437770711415754
Energy: 0.5394176476367191
Energy: 0.5380114722422071
Energy: 0.5442324358733823
Energy: 0.4836146835533295
Energy: 0.55722753522485
Energy: 0.5178262278547077
Energy: 0.5387064383013357
Energy: 0.562651910373762
Energy: 0.5184429858028401
Energy: 0.48338021440620793
Energy: 0.5379528665878275
Energy: 0.4817123359366615
Energy: 0.5277398801706376
Energy: 0.5284933478462502
Energy: 0.4807856214591892
Energy: 0.5314868477755621
Energy: 0.538893390065356
Energy: 0.620902835331867
Energy: 0.54219577293343
Energy: 0.5385231930125123
Energy: 0.556876277676781
Energy: 0.5830233508448533
Energy: 0.5114807191264822
Energy: 0.4819649039023532
Energy: 0.5445559047372854
Energy: 0.5388214099995783
Energy: 0.48135804216516237
Energy: 0.4868293317164396
Energy: 0.5414709339890617
Energy: 0.4810455770036925
Energy: 0.5195902149369075
Energy: 0.5199814959033184
Energy: 0.48179385704162037
Energy: 0.5193300230703535
Energy: 0.48096948177237153
Energy: 0.5216542588717128
Energy: 0.5194159236722399
Energy: 0.5218348545133495
Energy: 0.5224533095508215
Energy: 0.477090998943218
Energy: 0.5194194573657459
Energy: 0.5115646595236327
Energy: 0.4442556227910134
Energy: 0.44429650853619346
Energy: 0.5116607655610425
Energy: 0.44502208907288665
Energy: 0.44388562313008073
Energy: 0.5227601029557478
Energy: 0.5006321493409118
Energy: 0.5078842426839922
Energy: 0.50817151938529
Energy: 0.5015770823696345
Energy: 0.5081196244959949
Energy: 0.44408185586698107
Energy: 0.5089674914181624
Energy: 0.5154451761382556
Energy: 0.4441434350704707
Energy: 0.5103629195543053
Energy: 0.4438810320942111
Energy: 0.44644056565099527
Energy: 0.5241378516445573
Energy: 0.49093383636421245
Energy: 0.44423041301279553
Energy: 0.5071315679084921
Energy: 0.44406307872899625
Energy: 0.534877387140201
Energy: 0.5214560979827598
Energy: 0.521117729062526
Energy: 0.5114135206458641
Energy: 0.5210133354002737
Energy: 0.5089916389627746
Energy: 0.5166081321636461
Energy: 0.4815054837757904
Energy: 0.4811029315119644
Energy: 0.5131519767876065
Energy: 0.481432500084363
Energy: 0.49202531249412607
Energy: 0.5230730638664431
Energy: 0.45169397672473094
Energy: 0.5382564268373232
Energy: 0.5223319954614328
Energy: 0.4516559358158115
Energy: 0.5393786663797882
Energy: 0.5430217674458538
Energy: 0.5296628141879659
Energy: 0.529744222878456
Energy: 0.5429046969171721
Energy: 0.5274428970836299
Energy: 0.5203644082947672
Energy: 0.5445865547414266
Energy: 0.48103403997047706
Energy: 0.4836850051438555
Energy: 0.5444383266520901
Energy: 0.4811409302458158
Energy: 0.5271748668145331
Energy: 0.575679120849528
Energy: 0.5442797969086194
Energy: 0.5462424642202456
Energy: 0.5673502068625946
Energy: 0.5692886489505962
Energy: 0.5220036106613106

minimum gb energy = 0.4438810320942111 eV
minimum distance =  2.57164182365955 Angstroms
sigma value = 41


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

Energy: 0.6194044143234917
Energy: 0.6750006629287816
Energy: 0.6493892435302877
Energy: 0.6209820686922322
Energy: 0.796061127382827
Energy: 0.6504138956604113
Energy: 0.5225093487153423
Energy: 0.5753918443033295
Energy: 0.5541886910322061
Energy: 0.5739110819590415
Energy: 0.5767497893265799
Energy: 0.5545501879075253
Energy: 0.574439811920586
Energy: 0.5750425039861292
Energy: 0.5765544733732182
Energy: 0.575013261620258
Energy: 0.5906289943081604
Energy: 0.5548727512625004
Energy: 0.5037482431845101
Energy: 0.5752546235532223
Energy: 0.5753391456410342
Energy: 0.5040645854472041
Energy: 0.5061270562713097
Energy: 0.554685375985501
Energy: 0.5046183854444363
Energy: 0.5774181684987229
Energy: 0.5542676318906443
Energy: 0.5048088464553022
Energy: 0.5748515147031258
Energy: 0.5545119016935881
Energy: 0.5899788068353553
Energy: 0.59273638028561
Energy: 0.5963716015166929
Energy: 0.5913252945546771
Energy: 0.6141553531363908
Energy: 0.5758207891893596
Energy: 0.5038949704275857
Energy: 0.5770710606249341
Energy: 0.5761632014890188
Energy: 0.5039956735220885
Energy: 0.5831580117646671
Energy: 0.5038362373193125
Energy: 0.5042654815142035
Energy: 0.5658621433344418
Energy: 0.526215713375625
Energy: 0.5048485713542922
Energy: 0.594846786463567
Energy: 0.5035683397444274
Energy: 0.571291543972694
Energy: 0.53532684278968
Energy: 0.5654018524334888
Energy: 0.573173725105196
Energy: 0.5244825102571704
Energy: 0.5648927900866699
Energy: 0.5633012004705821
Energy: 0.5059906006396427
Energy: 0.5043292156421809
Energy: 0.5580378774836021
Energy: 0.5039089274424376
Energy: 0.5274678581786555
Energy: 0.5397724851241399
Energy: 0.5090414253283037
Energy: 0.575766740856512
Energy: 0.5260794094871957
Energy: 0.4867247455326603
Energy: 0.5768880107051002
Energy: 0.5741544941424235
Energy: 0.5634858569567731
Energy: 0.5634443995879463
Energy: 0.5740148961617294
Energy: 0.6273602651692809
Energy: 0.5451591387289018
Energy: 0.5763895732532063
Energy: 0.5543101880990543
Energy: 0.5551004395529929
Energy: 0.5768595170845807
Energy: 0.5634380873093742
Energy: 0.553909876455843
Energy: 0.6166942120844857
Energy: 0.573976263538778
Energy: 0.6034238166332166
Energy: 0.6180970818552508
Energy: 0.5990452535120543
Energy: 0.5832252847282862

minimum gb energy = 0.4867247455326603 eV
minimum distance =  2.61834276545121 Angstroms
sigma value = 11


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

Energy: 0.7582739166017085
Energy: 0.6350526005155018
Energy: 0.7382278571604836
Energy: 0.7605647807834282
Energy: 0.7085047679897535
Energy: 0.6091353548348968
Energy: 0.582700678770344
Energy: 0.5368798451847225
Energy: 0.534528932984688
Energy: 0.6031999645524317
Energy: 0.5369433991296328
Energy: 0.5506460669591664
Energy: 0.6029145756375761
Energy: 0.5936272968590964
Energy: 0.5928026646172944
Energy: 0.6032528509699383
Energy: 0.5338374984185409
Energy: 0.5916334511155396
Energy: 0.5770048676245526
Energy: 0.5793592277925265
Energy: 0.6068203191371069
Energy: 0.5736676216629448
Energy: 0.5325660820830076
Energy: 0.6014908488643493
Energy: 0.5668341704022785
Energy: 0.5369912825280047
Energy: 0.5368334980583741
Energy: 0.5666992944092655
Energy: 0.5372984141092954
Energy: 0.537039565826464
Energy: 0.6091617860940199
Energy: 0.5692138320617294
Energy: 0.5688134231658551
Energy: 0.6092926306174802
Energy: 0.5702333751194782
Energy: 0.5923068374581176
Energy: 0.5688112638469176
Energy: 0.5935092735775663
Energy: 0.5854571452580736
Energy: 0.5690042085051152
Energy: 0.5831658190904379
Energy: 0.5689814231667094
Energy: 0.5373300746056322
Energy: 0.5671939942605873
Energy: 0.5680460688884611
Energy: 0.5373563956196973
Energy: 0.5717080027328073
Energy: 0.5358684433007233
Energy: 0.5301918145060783
Energy: 0.6031089208453518
Energy: 0.5909947173486034
Energy: 0.5393118494195577
Energy: 0.6059170081353193
Energy: 0.6061455784147642
Energy: 0.5463335875993802
Energy: 0.6027815704298369
Energy: 0.5907558503836531
Energy: 0.5419298533184714
Energy: 0.6040944738994918
Energy: 0.6113837992602685
Energy: 0.5369386586027663
Energy: 0.5492770570946259
Energy: 0.5510278622140488
Energy: 0.536931253590506
Energy: 0.5643849379164598
Energy: 0.5338498170234416
Energy: 0.6199728167976877
Energy: 0.5843553264815813
Energy: 0.6554406991231224
Energy: 0.5927415627521501
Energy: 0.7236564239571894
Energy: 0.6791066677989346
Energy: 0.5362008559483701
Energy: 0.5966665433343012
Energy: 0.5854102372224285
Energy: 0.534038597537605
Energy: 0.6030480249653514
Energy: 0.5507006140958527
Energy: 0.6674069060464134
Energy: 0.6022288598527012
Energy: 0.5906118721283377
Energy: 0.6486000743018642
Energy: 0.6034408207882573
Energy: 0.5979460481634058
Energy: 0.534121924869432
Energy: 0.6024690084565997
Energy: 0.6176842423812078
Energy: 0.5341143297677774
Energy: 0.5855739599807276
Energy: 0.6023793636728725
Energy: 0.5252228391973643
Energy: 0.5861642714293994
Energy: 0.5462719313857582
Energy: 0.5250431984863979
Energy: 0.5865990551359298
Energy: 0.5244107876373143
Energy: 0.544772797992442
Energy: 0.5937411372376642
Energy: 0.606957343447913
Energy: 0.544842724486523
Energy: 0.5812551181761769
Energy: 0.6075262012575811
Energy: 0.6323998918966716
Energy: 0.5649601754889848
Energy: 0.5721912891457643
Energy: 0.6328189775339644
Energy: 0.5649004471577058
Energy: 0.5552680952214826
Energy: 0.5459874488904246
Energy: 0.5652323570000297
Energy: 0.5605956941803804
Energy: 0.5573956842186459
Energy: 0.5658335204674891
Energy: 0.5853101224325842
Energy: 0.5892613156708936
Energy: 0.5892206125346224
Energy: 0.6099980403661909
Energy: 0.5900071238581975
Energy: 0.5263315014605227
Energy: 0.5821637510121034
Energy: 0.5653626974743338
Energy: 0.5250622736643636
Energy: 0.5620995196062268
Energy: 0.5660593202404984
Energy: 0.525356214855415
Energy: 0.5594461216775268
Energy: 0.5362961421923097
Energy: 0.5650823120173812
Energy: 0.5703976485153751
Energy: 0.5363793007772426
Energy: 0.5668342560046621
Energy: 0.555861658410678
Energy: 0.5932899222487542
Energy: 0.5649300607459412
Energy: 0.5899006740233201
Energy: 0.5333844694114483
Energy: 0.5905370248312037
Energy: 0.5964121444606836
Energy: 0.5652603177364933
Energy: 0.5460013174683818
Energy: 0.575211583959396
Energy: 0.5654597165657663
Energy: 0.5459008355103868
Energy: 0.5833401453097361
Energy: 0.5652361564416047
Energy: 0.5805796349580717
Energy: 0.5654814702901805
Energy: 0.5650921653287876
Energy: 0.6066425516302788
Energy: 0.5654700476685413
Energy: 0.5893405700503446
Energy: 0.5446088101482951
Energy: 0.6084553831955122
Energy: 0.5843886561207373
Energy: 0.5448252691284782
Energy: 0.6074295810722373
Energy: 0.5889479967805261
Energy: 0.5244791548512416
Energy: 0.5243525042002602
Energy: 0.5848926490472385
Energy: 0.5254414197139919
Energy: 0.5243060498090161
Energy: 0.5889688043420309
Energy: 0.5341501471362725
Energy: 0.602200449686596
Energy: 0.5876578485687132
Energy: 0.5339251339478543
Energy: 0.6179636885143424
Energy: 0.6029421945054962
Energy: 0.5650859193545644
Energy: 0.6019503111336982
Energy: 0.60317967453027
Energy: 0.6296612818769861
Energy: 0.6042744783501084
Energy: 0.6033186324255494
Energy: 0.5335973083597985
Energy: 0.5505767032412684
Energy: 0.6034901235015986
Energy: 0.5342555686411746
Energy: 0.5837624812254298
Energy: 0.7602393135604537
Energy: 0.5949063633894685
Energy: 0.5817487601166693
Energy: 0.5245016494212998
Energy: 0.6431790567630108
Energy: 0.5815833228724019

minimum gb energy = 0.5243060498090161 eV
minimum distance =  2.52890402909573 Angstroms
sigma value = 57


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

Energy: 0.7043985394814843
Energy: 0.6485952124075336
Energy: 0.6481626063164825
Energy: 0.7051616354244978
Energy: 0.6746590655562045
Energy: 0.59974981996664
Energy: 0.5025510999015701
Energy: 0.5345673011659177
Energy: 0.5185414170785064
Energy: 0.5342833981966539
Energy: 0.5344126618218967
Energy: 0.5407745370454202
Energy: 0.5345466836800857
Energy: 0.5362996367018183
Energy: 0.5353961414679222
Energy: 0.5350515605452051
Energy: 0.6146528543410145
Energy: 0.5197510586361213
Energy: 0.5178413765468775
Energy: 0.5185719342989019
Energy: 0.5187645627295089
Energy: 0.5184501742883402
Energy: 0.5205697915297793
Energy: 0.5188938762643465
Energy: 0.5161750218094759
Energy: 0.5343577011676035
Energy: 0.5190595446594644
Energy: 0.5165726116958108
Energy: 0.5360732697372155
Energy: 0.5188638464991732
Energy: 0.5265589330198892
Energy: 0.5221096583812785
Energy: 0.5204616300138457
Energy: 0.5264314840963663
Energy: 0.5212964124589075
Energy: 0.5413874357100826
Energy: 0.5202770013029219
Energy: 0.5263984338599784
Energy: 0.5257837803583378
Energy: 0.5208867368567056
Energy: 0.5280563124611233
Energy: 0.556665076065028
Energy: 0.5349343298584829
Energy: 0.5218289991309608
Energy: 0.5205915044209541
Energy: 0.5357863507049101
Energy: 0.5217542057024158
Energy: 0.5187311332874708
Energy: 0.5023420572852735
Energy: 0.5200443874060353
Energy: 0.5260180091039903
Energy: 0.5022605959784829
Energy: 0.5205461426729908
Energy: 0.5266181457669339
Energy: 0.5023010625199414
Energy: 0.5348697966420675
Energy: 0.5264485874788843
Energy: 0.5022982663245867
Energy: 0.535658964550592
Energy: 0.5269018687576791
Energy: 0.5348651509264197
Energy: 0.5209543473813452
Energy: 0.5185286685009842
Energy: 0.5354063586287339
Energy: 0.5340122775106553
Energy: 0.519491447590151
Energy: 0.518145382456866
Energy: 0.6111438366020707
Energy: 0.537912432568668
Energy: 0.5184777972058714
Energy: 0.6106665675952753
Energy: 0.5202708866841257
Energy: 0.5202041918961976
Energy: 0.5342644197776587
Energy: 0.5179150931784198
Energy: 0.5208224637128952
Energy: 0.5340741132870304
Energy: 0.519223556245977
Energy: 0.6199463539384208
Energy: 0.5347067835892829
Energy: 0.5201631156506432
Energy: 0.620616634404654
Energy: 0.5355608556030386
Energy: 0.5190705563620464
Energy: 0.5228472643839185
Energy: 0.5240608216499627
Energy: 0.5185359604213052
Energy: 0.5227502916004532
Energy: 0.5252490363246017
Energy: 0.5401488629800896
Energy: 0.5344750735672775
Energy: 0.5238181697207771
Energy: 0.523233028877387
Energy: 0.5351796650227
Energy: 0.5245737235306058
Energy: 0.5196595140811213
Energy: 0.5028718294540215
Energy: 0.5170538814574388
Energy: 0.5180557820785759
Energy: 0.5027444512535588
Energy: 0.5190943306480932
Energy: 0.5204766983309516

minimum gb energy = 0.5022605959784829 eV
minimum distance =  2.55839828685953 Angstroms
sigma value = 9


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

Energy: 0.8163728909464197
Energy: 0.7472606444821553
Energy: 0.5852750018502738
Energy: 0.5604833563410687
Energy: 0.8971028371669113
Energy: 0.5676854767824523
Energy: 0.558463182342394
Energy: 0.5630572070401286
Energy: 0.5678456475171167
Energy: 0.5764697828455534
Energy: 0.5623251758569069
Energy: 0.5590569803715811
Energy: 0.6220964689553695
Energy: 0.5998444715854211
Energy: 0.5647592262617834
Energy: 0.6227509647146136
Energy: 0.597131112180486
Energy: 0.5605927431823919
Energy: 0.5607955282394328
Energy: 0.5610423999806275
Energy: 0.5598393393118105
Energy: 0.5610856273242444
Energy: 0.5608424067549986
Energy: 0.5635811123494824
Energy: 0.5611589436194456
Energy: 0.5682997174934081
Energy: 0.5457965357302151
Energy: 0.5602838195343162
Energy: 0.5618298974448123
Energy: 0.5666883970896643
Energy: 0.5537989263705247
Energy: 0.5649408623757206
Energy: 0.5566866461921558
Energy: 0.5543407147590945
Energy: 0.5544235756944725
Energy: 0.5583683463727273
Energy: 0.5623805656093105
Energy: 0.635183821597373
Energy: 0.5624094999350664
Energy: 0.562614680339567
Energy: 0.637805057778132
Energy: 0.5584357258246958
Energy: 0.5529482386210176
Energy: 0.5606886684472718
Energy: 0.5604935558179791
Energy: 0.5539088516741774
Energy: 0.5455463519603281
Energy: 0.5602301504587172
Energy: 0.6272205621390856
Energy: 0.5681300113428034
Energy: 0.5642272037601735
Energy: 0.6019312627975805
Energy: 0.568496086450205
Energy: 0.5644467405199036
Energy: 0.599873848222319
Energy: 0.5865271755010839
Energy: 0.5639916873853276
Energy: 0.5765471885049422
Energy: 0.5804686942563995
Energy: 0.5640860076003282
Energy: 0.5535689018804979
Energy: 0.5631775305442651
Energy: 0.5573854116860043
Energy: 0.5539470253605655
Energy: 0.5576374565256305
Energy: 0.558251399526404
Energy: 0.5602641687481724
Energy: 0.5614292103531084
Energy: 0.5616325878866438
Energy: 0.5612673544055167
Energy: 0.5601156516208928
Energy: 0.5670541916403327
Energy: 0.6366195928378141
Energy: 0.5591485546115315
Energy: 0.5531111704942367
Energy: 0.636785923089323
Energy: 0.5578697333028269
Energy: 0.5580367570855996
Energy: 0.6136501094986355
Energy: 0.5803824609492075
Energy: 0.5633346435073497
Energy: 0.6137985316177114
Energy: 0.5771069101478361
Energy: 0.5638661056948642
Energy: 0.560723367136932
Energy: 0.5874653140820046
Energy: 0.5873976424542565
Energy: 0.5675960480420805
Energy: 0.5550220026233958
Energy: 0.6020845155238227
Energy: 0.6937452813577953
Energy: 0.6234134341528227
Energy: 0.6152237712998501
Energy: 0.5767456836102961
Energy: 0.6021671015099974
Energy: 0.6009783943081276
Energy: 0.566900703052651
Energy: 0.5627514768535552
Energy: 0.5664544391469829
Energy: 0.5646207175277854
Energy: 0.577690202443378
Energy: 0.5615640178194473
Energy: 0.5995752826872659
Energy: 0.5646780267519071
Energy: 0.5617765289137562
Energy: 0.6006778162549549
Energy: 0.5628364918171007
Energy: 0.5650189189715638
Energy: 0.5635578317614671
Energy: 0.5678525982334538
Energy: 0.5626517427265115
Energy: 0.5641649460944518
Energy: 0.5618144200829115
Energy: 0.5630932030320653
Energy: 0.5810275722938587
Energy: 0.5624538937912873
Energy: 0.5666258729249605
Energy: 0.5777013806733102
Energy: 0.5804024684263203
Energy: 0.5620776630197137
Energy: 0.5451818838819359
Energy: 0.5675004799184136
Energy: 0.5655187648385178
Energy: 0.5445805199856066
Energy: 0.562849791518478
Energy: 0.5651667093326884

minimum gb energy = 0.5445805199856066 eV
minimum distance =  2.53238668856824 Angstroms
sigma value = 27


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

Energy: 0.6909309815579313
Energy: 0.6153626720624781
Energy: 0.6181942946254342
Energy: 0.6797080214863297
Energy: 0.6574489454442075
Energy: 0.6172396562814234
Energy: 0.56372989348845
Energy: 0.6224615823367938
Energy: 0.656318808081138
Energy: 0.6311443047907865
Energy: 0.6657684715932195
Energy: 0.6025963208615029
Energy: 0.780488723817109
Energy: 0.619996288168691
Energy: 0.5821818782726761
Energy: 0.8101894737195402
Energy: 0.544628955840365
Energy: 0.5780675699621806
Energy: 0.579967113014457
Energy: 0.6022260081931028
Energy: 0.6024840936640788
Energy: 0.5810514081342717
Energy: 0.6091618856388535
Energy: 0.5901615255381152
Energy: 0.5366273619550516
Energy: 0.6047154514997428
Energy: 0.6019900471587973
Energy: 0.5365366323983226
Energy: 0.6160325192806295
Energy: 0.573736539130864
Energy: 0.5894686970929184
Energy: 0.5870001525955948
Energy: 0.6139603408374936
Energy: 0.5888503129011069
Energy: 0.5882819862469932
Energy: 0.6107826690444942
Energy: 0.6118345705966546
Energy: 0.5985629307037836
Energy: 0.597948948646711
Energy: 0.6134655984996144
Energy: 0.5945156746971783
Energy: 0.5870177067180341
Energy: 0.6227349089744976
Energy: 0.5920031911554953
Energy: 0.6078722145429222
Energy: 0.6146507658533379
Energy: 0.5558817797531969
Energy: 0.6127465658091102
Energy: 0.5943920087357253
Energy: 0.5758570213982712
Energy: 0.5874271536266922
Energy: 0.5788793390477744
Energy: 0.5784184931407805
Energy: 0.5838320070033155
Energy: 0.5901150695597104
Energy: 0.5726322765552174
Energy: 0.5773827342244293
Energy: 0.5800677900443125
Energy: 0.5622225463277651
Energy: 0.5688221124989332
Energy: 0.6482595608212529
Energy: 0.5921419611644875
Energy: 0.6553441388699304
Energy: 0.6665782835564532
Energy: 0.5365315688378506
Energy: 0.6524253019507474
Energy: 0.5286913994428142
Energy: 0.5452542974048379
Energy: 0.5478018359935045
Energy: 0.5299940825682263
Energy: 0.5475892210022394
Energy: 0.5427766528525353
Energy: 0.5150770767278449
Energy: 0.5337449466635412
Energy: 0.5286823918632478
Energy: 0.5144706416119498
Energy: 0.5364151431578148
Energy: 0.5479019794787984
Energy: 0.5428867303407562
Energy: 0.5499394401036244
Energy: 0.5487959148484349
Energy: 0.5429736213197425
Energy: 0.5638672495934621
Energy: 0.5481967900584616
Energy: 0.5292249771313677
Energy: 0.5579774198323751
Energy: 0.5552203324074271
Energy: 0.5299620678296608
Energy: 0.5573447475977984
Energy: 0.5287397617292267
Energy: 0.7540759565880545
Energy: 0.5680882937717707
Energy: 0.5651740405291593
Energy: 0.7470782647364943
Energy: 0.5397529748484837
Energy: 0.5655283662256095
Energy: 0.544429524073422
Energy: 0.5769917456127257
Energy: 0.5789121521954167
Energy: 0.5445080830392406
Energy: 0.5853381379448779
Energy: 0.5599889687894379
Energy: 0.5637884626232197
Energy: 0.5838695858489051
Energy: 0.5893088675987108
Energy: 0.5648751909714272
Energy: 0.5845893607357784
Energy: 0.5733510380518033
Energy: 0.5748531376041509
Energy: 0.6195287210601909
Energy: 0.590752717183358
Energy: 0.5747532476537264
Energy: 0.6016926761495094
Energy: 0.5893797663336872
Energy: 0.6073993477809311
Energy: 0.5787059168419731
Energy: 0.5900844232586961
Energy: 0.6393870393277439
Energy: 0.602501672403917
Energy: 0.5895452425366269
Energy: 0.6050686235449713
Energy: 0.5831636952353969
Energy: 0.5895109563360804
Energy: 0.6057107882163688
Energy: 0.5891429088800285
Energy: 0.6054046285876284
Energy: 0.5464042293010625
Energy: 0.7798664748882392
Energy: 0.5967646545066052
Energy: 0.5436921833665335
Energy: 0.7706323801963729
Energy: 0.5902130757284336
Energy: 0.5981826071481344
Energy: 0.584902089396444
Energy: 0.5920096869832705
Energy: 0.5994525306854738
Energy: 0.6071230723971501
Energy: 0.5971606585092164
Energy: 0.6415443231350714
Energy: 0.600464823954348
Energy: 0.578888863800929
Energy: 0.6338029300398744
Energy: 0.6038142040073289
Energy: 0.6014534591394051
Energy: 0.5974662944260145
Energy: 0.6521170001382556
Energy: 0.6572614191200457
Energy: 0.5599735777137989
Energy: 0.6484063900614878
Energy: 0.6188783585322966

minimum gb energy = 0.5144706416119498 eV
minimum distance =  2.57007908237118 Angstroms
sigma value = 19


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

Energy: 0.7992808514598961
Energy: 0.658668490167696
Energy: 0.6760285828760351
Energy: 0.6837420077240132
Energy: 0.9140312504717081
Energy: 0.712976566997425
Energy: 0.5913709514043304
Energy: 0.5640944853381203
Energy: 0.5763677938730332
Energy: 0.6215095552676936
Energy: 0.5632931936232636
Energy: 0.5741651848438605
Energy: 0.5673976931953711
Energy: 0.5192449373642002
Energy: 0.5191787165483401
Energy: 0.5674673585866472
Energy: 0.5192540469865403
Energy: 0.5598240485844953
Energy: 0.5623977989386862
Energy: 0.5744282790771249
Energy: 0.574624084646074
Energy: 0.5619884841220597
Energy: 0.5636147621779755
Energy: 0.5742432622396951
Energy: 0.5234602834073595
Energy: 0.5675093840730445
Energy: 0.5798738160097069
Energy: 0.5245148123740578
Energy: 0.5692002614959204
Energy: 0.5191603207293302
Energy: 0.5731768787917569
Energy: 0.5743577033214979
Energy: 0.5749572605608881
Energy: 0.5739510758785005
Energy: 0.6203231777301565
Energy: 0.5749710491148067
Energy: 0.7057786394826768
Energy: 0.5927763548364711
Energy: 0.6395233672380872
Energy: 0.7432109974026994
Energy: 0.6701160094200274
Energy: 0.6343908848661811
Energy: 0.5944585316472376
Energy: 0.5701541346460525
Energy: 0.5741367768310828
Energy: 0.5814271958378349
Energy: 0.5801795320420351
Energy: 0.5744853618743125
Energy: 0.5191928338673043
Energy: 0.5675077723815486
Energy: 0.568489345777201
Energy: 0.5192131520089832
Energy: 0.5676250778751265
Energy: 0.57002066083262
Energy: 0.5189797234342274
Energy: 0.5646807768929286
Energy: 0.5723594367774932
Energy: 0.5187294712395386
Energy: 0.5650160844579908
Energy: 0.571526544576797
Energy: 0.5598358175791571
Energy: 0.512352927114888
Energy: 0.5122720639572416
Energy: 0.6014258205024503
Energy: 0.5142557843815494
Energy: 0.5611731403363684
Energy: 0.5815912945740651
Energy: 0.5753546063483544
Energy: 0.5714150499791615
Energy: 0.582413809976599
Energy: 0.5529607132742352
Energy: 0.5706027109743171
Energy: 0.6866341040690254
Energy: 0.5955551762632514
Energy: 0.5822069130550102
Energy: 0.5642561455458246
Energy: 0.62581284227903
Energy: 0.5746639365982722
Energy: 0.5619047459581252
Energy: 0.5817226030572931
Energy: 0.5652368032891599
Energy: 0.5618543124848032
Energy: 0.5826524446970639
Energy: 0.5657793536336052
Energy: 0.567108946046928
Energy: 0.5128335026510189
Energy: 0.5437153075490053
Energy: 0.567133099382916
Energy: 0.5127709210649518
Energy: 0.5531148139949607
Energy: 0.5673207820807861
Energy: 0.5265233649692547
Energy: 0.5673693230280593
Energy: 0.5681709315403818
Energy: 0.5130653797672925
Energy: 0.5691112048942019
Energy: 0.6386210711195759
Energy: 0.6003509309100898
Energy: 0.5992782075329827
Energy: 0.6498631141513515
Energy: 0.6385951810985478
Energy: 0.560231202057958
Energy: 0.5721394939813782
Energy: 0.5627783442208237
Energy: 0.5622213422038241
Energy: 0.5750576906196903
Energy: 0.5677752822214117
Energy: 0.564641297033591
Energy: 0.6003716030577932
Energy: 0.5109112416837784
Energy: 0.5835195490042283
Energy: 0.5996667121826639
Energy: 0.5109336446076503
Energy: 0.5613512303471968
Energy: 0.5769929718991372
Energy: 0.5695644032289997
Energy: 0.5691701487781848
Energy: 0.5778596789602091
Energy: 0.5110959622166583
Energy: 0.5614653192274798
Energy: 0.5166365398618181
Energy: 0.5664312629276631
Energy: 0.5623648106985419
Energy: 0.5174292577649947
Energy: 0.5725134954039268
Energy: 0.559802229290291
Energy: 0.5246905559765517
Energy: 0.5731037462324666
Energy: 0.5701440085223601
Energy: 0.526169418745845
Energy: 0.5831096940098861
Energy: 0.5657439207060263
Energy: 0.6650280726579988
Energy: 0.5088036978863956
Energy: 0.561662235849554
Energy: 0.6712524736407937
Energy: 0.5095713443937329
Energy: 0.5558563650147718
Energy: 0.6020970112594634
Energy: 0.5718319091040904
Energy: 0.5628251107635573
Energy: 0.6026654276616519
Energy: 0.5130492201107966
Energy: 0.5613797617380186
Energy: 0.5618535857800452
Energy: 0.5753894141457019
Energy: 0.5684079337109673
Energy: 0.5651373905949821
Energy: 0.581616238098221
Energy: 0.569722722260377
Energy: 0.5837320605479813
Energy: 0.5880563539438578
Energy: 0.5586269577097164
Energy: 0.5174938669465122
Energy: 0.603323613911374
Energy: 0.568097984981257
Energy: 0.5663032119969883
Energy: 0.5190938417335401
Energy: 0.5784347387579734
Energy: 0.567244866253951
Energy: 0.5191033515741629
Energy: 0.5653641299332129
Energy: 0.5686674994352064
Energy: 0.5190439322787473
Energy: 0.5707058133051284
Energy: 0.591628547709563
Energy: 0.5189434499174812
Energy: 0.5685381302409227
Energy: 0.5840885063844106
Energy: 0.5899587793101537
Energy: 0.5582326098165367
Energy: 0.5802169499914168
Energy: 0.5878834385629136
Energy: 0.5619376528863261

minimum gb energy = 0.5088036978863956 eV
minimum distance =  2.55354022893033 Angstroms
sigma value = 101


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

Energy: 0.724598949043344
Energy: 0.6952333348220765
Energy: 0.6925304477817147
Energy: 0.7262574464149184
Energy: 0.8612142195059904
Energy: 0.4830680028905116
Energy: 0.5682354024773749
Energy: 0.5581622331424104
Energy: 0.5652995308714024
Energy: 0.5798303492310937
Energy: 0.5299729049954466
Energy: 0.5637947771507398
Energy: 0.568387965755886
Energy: 0.49025931277167517
Energy: 0.49008151613453016
Energy: 0.5686836889547952
Energy: 0.49108749041873484
Energy: 0.5406798044356823
Energy: 0.5537667208101079
Energy: 0.5626997363834618
Energy: 0.5633948376065743
Energy: 0.5542871459004632
Energy: 0.5563222036992288
Energy: 0.563042132967403
Energy: 0.4970503557658275
Energy: 0.5669499536019281
Energy: 0.5434241831401415
Energy: 0.4981388356194835
Energy: 0.5683176361359195
Energy: 0.4952262641173935
Energy: 0.5255742577008786
Energy: 0.5642947645864603
Energy: 0.5638134180712874
Energy: 0.5228440555023003
Energy: 0.5797935598716761
Energy: 0.5638354588020577
Energy: 0.7348621004728165
Energy: 0.5324720862086004
Energy: 0.5671367179710779
Energy: 0.7036969030982642
Energy: 0.5324333776986488
Energy: 0.6548714315214059
Energy: 0.5369961770931352
Energy: 0.5632286762060451
Energy: 0.563374758598447
Energy: 0.5065972528377883
Energy: 0.5643712287832058
Energy: 0.5622863802002641
Energy: 0.4900782399827389
Energy: 0.5667651322171989
Energy: 0.48918413900323865
Energy: 0.49080178848189104
Energy: 0.5666947493209469
Energy: 0.48999287888892007
Energy: 0.5030851939338195
Energy: 0.5641375440879277
Energy: 0.5645628049364215
Energy: 0.5037365508875683
Energy: 0.5638857838053843
Energy: 0.5641757107862293
Energy: 0.6249189521919208
Energy: 0.47934439028675657
Energy: 0.4793660911598507
Energy: 0.5538572211306801
Energy: 0.48187867146183866
Energy: 0.5499279974957234
Energy: 0.5628301434865245
Energy: 0.5644909726732537
Energy: 0.5652705293228039
Energy: 0.5635373109144274
Energy: 0.5401735404747601
Energy: 0.565321037364325
Energy: 0.5856398932116277
Energy: 0.6086571924429127
Energy: 0.5965419866598637
Energy: 0.586667496988073
Energy: 0.567940569927709
Energy: 0.5864415254607693
Energy: 0.5379617799342729
Energy: 0.5606608239697967
Energy: 0.5627906036389296
Energy: 0.5276013657491502
Energy: 0.5547765351653078
Energy: 0.5669707638215358
Energy: 0.5665453769405568
Energy: 0.49068167850278255
Energy: 0.4896204707959345
Energy: 0.5669816655147981
Energy: 0.49159668932696554
Energy: 0.517315206843661
Energy: 0.5804154235054335
Energy: 0.5130086287399881
Energy: 0.5638972349595469
Energy: 0.5803512567486863
Energy: 0.49107430515602174
Energy: 0.563661170179986
Energy: 0.6699069956254576
Energy: 0.6097690606814566
Energy: 0.6418611053852593
Energy: 0.6697479534493777
Energy: 0.5540793950006648
Energy: 0.5288241727306533
Energy: 0.5676203343166919
Energy: 0.5532310622386439
Energy: 0.5564380841192768
Energy: 0.5674913155519515
Energy: 0.5536264636158129
Energy: 0.564289551464541
Energy: 0.5667629825446285
Energy: 0.4900046805329359
Energy: 0.48992645724492545
Energy: 0.5715120350484123
Energy: 0.49023459896120375
Energy: 0.5641983873683856
Energy: 0.5773992191326149
Energy: 0.5700558062928173
Energy: 0.57075711878501
Energy: 0.5802536783386587
Energy: 0.4898618270104335
Energy: 0.5640711022814217
Energy: 0.4962687993706463
Energy: 0.5560423708904901
Energy: 0.5561840775288154
Energy: 0.4969942065021461
Energy: 0.5835564833012493
Energy: 0.4945564911124645
Energy: 0.5226053098127053
Energy: 0.5653078276664474
Energy: 0.5642123319338702
Energy: 0.5231925184040348
Energy: 0.5800118214329912
Energy: 0.5641917537680051
Energy: 0.6427638722915263
Energy: 0.533723106070336
Energy: 0.5319677948048944
Energy: 0.6441511774512259
Energy: 0.48859016247313997
Energy: 0.5981757631298068
Energy: 0.5561761867278138
Energy: 0.5637454604013863
Energy: 0.5647937413215738
Energy: 0.5563528535973381
Energy: 0.5320679459337267
Energy: 0.5570311349306594
Energy: 0.5022343477492096
Energy: 0.5730600637809993
Energy: 0.56461407450734
Energy: 0.5032470534361639
Energy: 0.5798499627231023
Energy: 0.5210405686001642
Energy: 0.49002837141891137
Energy: 0.5619915298906609
Energy: 0.5638290189495507
Energy: 0.4903579467628092
Energy: 0.5644686409137695
Energy: 0.5663696080379927
Energy: 0.5911497329961795
Energy: 0.4792748210449567
Energy: 0.5593936035406794
Energy: 0.6168827094936963
Energy: 0.48228225960389987
Energy: 0.5570892775910269
Energy: 0.5624248346673375
Energy: 0.5315625072564552
Energy: 0.5624186142342928
Energy: 0.5623728734455613
Energy: 0.4819836694218896
Energy: 0.5608743346595029
Energy: 0.5270014130757288
Energy: 0.5624931408274687
Energy: 0.5606106003047799
Energy: 0.48692512099898777
Energy: 0.6079885952633945
Energy: 0.5630878226051221
Energy: 0.5862087673020836
Energy: 0.6002801793026292
Energy: 0.5587817416758587
Energy: 0.48879641796822787
Energy: 0.5962152039889564
Energy: 0.5607826364208849
Energy: 0.5626011310259764
Energy: 0.4903320744961002
Energy: 0.489817410725247
Energy: 0.5624974244915022
Energy: 0.49083800575520076
Energy: 0.5642495383941291
Energy: 0.5796130453453997
Energy: 0.5026455578737831
Energy: 0.528252963061247
Energy: 0.5799101071380435
Energy: 0.5099520629099924
Energy: 0.5522479517579093
Energy: 0.671049170079606
Energy: 0.5552700104541545
Energy: 0.5476902736322222
Energy: 0.5812435106840002
Energy: 0.5543232646526332
Energy: 0.5621214003600441

minimum gb energy = 0.4792748210449567 eV
minimum distance =  2.54723328514192 Angstroms
sigma value = 33


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

Energy: 0.01170937581870315
Energy: 0.012273455662331763
Energy: 0.01362062984252619
Energy: 0.012984581233077873
Energy: 0.4889799984144691
Energy: 0.012029438064558064
Energy: 0.013138561190391694
Energy: 0.059311726441322085
Energy: 0.058009427085012735
Energy: 0.05738435066759375
Energy: 0.057539569408862096
Energy: 0.057653909209748284
Energy: 0.672327165820304
Energy: 0.4909313873348359
Energy: 0.4899090613618804
Energy: 0.6728716655097448
Energy: 0.4890616273382658
Energy: 0.48921463637306256
Energy: 0.24071742849033181
Energy: 0.05931172644096792
Energy: 0.058009427085012735
Energy: 0.05738435066723959
Energy: 0.05753956940957043
Energy: 0.057653909210102446

minimum gb energy = 0.01170937581870315 eV
minimum distance =  2.82401538588163 Angstroms
sigma value = 1