Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05616620182991
cohesive_energy=3.8004338183679356
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.864152926080479e-20, 1.60919416765692e-19, 2.1455868829537798e-19, 2.62225045333512e-19, 3.0444560399267994e-19, 3.4232746832697596e-19, 3.7646344369097997e-19, 4.07279709069336e-19, 4.35107915025282e-19, 4.60212420703428e-19, 4.828127243026319e-19, 5.0309948484234e-19, 5.212681678718999e-19, 5.37552691179876e-19, 5.52092444133426e-19, 5.64786489604608e-19, 5.7564604282986e-19, 5.848056866464379e-19, 5.923759712420879e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.088479492162419e-19, 6.0816702414679195e-19, 6.05944805155434e-19, 6.01880083034976e-19, 5.95607561512866e-19, 5.866930507212899e-19, 5.74609434547662e-19, 5.58730261928088e-19, 5.382864880782479e-19, 5.122527199523819e-19, 4.79352022773192e-19, 4.38062328738378e-19, 3.8649146724318597e-19, 3.2221374286373996e-19, 2.42119330753446e-19, 1.4218788908460778e-19, 1.7219553591578398e-20, -1.39558396792887e-19, -3.3773563009393196e-19, -5.902659046151099e-19, -9.14717888236548e-19, -1.3360358689729918e-18, -1.8903281016249e-18, -2.6316552301766996e-18, -3.641891684979059e-18, -5.0515187311049395e-18, -7.07939369675874e-18, -1.010545674892722e-17, -1.484269251150672e-17, -2.2754112556068e-17, -3.7211353412966994e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -6.54468460673089e-28 eV

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

Energy: 0.011641779146534161
Energy: 0.012255688440536225
Energy: 0.012743083357536366
Energy: 0.011813513254336758
Energy: 0.24727719316074845
Energy: 0.011969930918886703
Energy: 0.012255688440536225
Energy: 0.06993489530116223
Energy: 0.06990430054315373
Energy: 0.06991664228749027
Energy: 0.0698378774124113
Energy: 0.06990867747133171
Energy: 0.012743083357785468
Energy: 0.06990430054290463
Energy: 0.06990056175576467
Energy: 0.012484563967833286
Energy: 0.06985489090362026
Energy: 0.06995703390790595
Energy: 0.011813513254336758
Energy: 0.06991664228749027
Energy: 0.012484563967584187
Energy: 0.011879968419942542
Energy: 0.06983449146843974
Energy: 0.012053455062379282
Energy: 0.24727719316074845
Energy: 0.06983787741266041
Energy: 0.06985489090312205
Energy: 0.06983449146843974
Energy: 0.06990468255012217
Energy: 0.06978533796103842
Energy: 0.011969930918886703
Energy: 0.06990867747058441
Energy: 0.06995703390790595
Energy: 0.012053455062379282
Energy: 0.06978533796150893
Energy: 0.012060195035967766

minimum gb energy = 0.011641779146534161 eV
minimum distance =  2.86255323917334 Angstroms
sigma value = 1


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

Energy: 0.7650234755435241
Energy: 0.5415646614707076
Energy: 0.5542422299700518
Energy: 0.517962996247708
Energy: 0.5377926494528541
Energy: 0.5665576674751177
Energy: 0.74200770333366
Energy: 0.5507199909006583
Energy: 0.5229073342406483
Energy: 0.5031283879343731
Energy: 0.5503684654806666
Energy: 0.5400906029120668
Energy: 0.639845754954654
Energy: 0.5373087167201455
Energy: 0.5371614514366148
Energy: 0.5339950932083787
Energy: 0.5490883484622027
Energy: 0.5354164877582269
Energy: 0.7789096125939436
Energy: 0.5159163400190074
Energy: 0.5466811473210522
Energy: 0.5379662819692862
Energy: 0.5151745679956572
Energy: 0.5472717782427237
Energy: 0.7128960031605611
Energy: 0.5412968309600265
Energy: 0.5406933774800757
Energy: 0.4806841552785989
Energy: 0.5423285969703209
Energy: 0.539970071408571
Energy: 0.7036004002935663
Energy: 0.5386429415462138
Energy: 0.5378451172181332
Energy: 0.5365542620361382
Energy: 0.537067609609661
Energy: 0.539382680417187
Energy: 0.7027320462503206
Energy: 0.5034277546174584
Energy: 0.5035747747653405
Energy: 0.5332583113157887
Energy: 0.506860881627195
Energy: 0.529938123820531
Energy: 0.6713310653377922
Energy: 0.5362134731748691
Energy: 0.534937235760643
Energy: 0.5078377600167508
Energy: 0.5308489409008358
Energy: 0.5030507740976637
Energy: 0.5876861143561147
Energy: 0.5344855818252299
Energy: 0.5274628047267861
Energy: 0.5391037383845694
Energy: 0.536571944241391
Energy: 0.5366485298263243
Energy: 0.5868451115412883
Energy: 0.533592560003909
Energy: 0.5347052797533749
Energy: 0.5299530962275372
Energy: 0.529013899650466
Energy: 0.5382452993877834
Energy: 0.6401100545247322
Energy: 0.5413260658094984
Energy: 0.5415896631235463
Energy: 0.5641899057086133
Energy: 0.5421303150302539
Energy: 0.5701525446863507
Energy: 0.5511702369215363
Energy: 0.534202954723619
Energy: 0.523473937696537
Energy: 0.5506765080874285
Energy: 0.5321557885923061
Energy: 0.5515736411117829
Energy: 0.550751854939136
Energy: 0.5334654284637457
Energy: 0.5268291846824454
Energy: 0.5508973650980394
Energy: 0.4994914167590011
Energy: 0.5566053853958245
Energy: 0.582027961297582
Energy: 0.5375024964903062
Energy: 0.5484410600390545
Energy: 0.5500421856043938
Energy: 0.5469491561249457
Energy: 0.5205225789945824
Energy: 0.5609845390927628
Energy: 0.5203682554592187
Energy: 0.5352247502994705
Energy: 0.5383105152281787
Energy: 0.5362299960258954
Energy: 0.5345847067241751
Energy: 0.5616147469660655
Energy: 0.5327474429947182
Energy: 0.5225146206636215
Energy: 0.5513839453850959
Energy: 0.5358986033962961
Energy: 0.5483728741392646
Energy: 0.6414070509791479
Energy: 0.5346932872153429
Energy: 0.5354137984658848
Energy: 0.5291720226815575
Energy: 0.5347624752421714
Energy: 0.5355688599370875
Energy: 0.637717077111218
Energy: 0.48146126755103946
Energy: 0.488335327117973
Energy: 0.5340201473617663
Energy: 0.5077741280018149
Energy: 0.5339892545694085
Energy: 0.6392133444399004
Energy: 0.5349580934326279
Energy: 0.5324859461205054
Energy: 0.5330898894983582
Energy: 0.5335131864713715
Energy: 0.5323800333335563
Energy: 0.640745599732455
Energy: 0.535104305887
Energy: 0.5330200384871782
Energy: 0.48350069516835953
Energy: 0.5334581603201274
Energy: 0.5329457734328387
Energy: 0.7412585177562588
Energy: 0.5167316362956637
Energy: 0.5324072914561823
Energy: 0.5376014911876916
Energy: 0.5277363186605952
Energy: 0.5321559352002194
Energy: 0.603439954217555
Energy: 0.5499484251225146
Energy: 0.5484847063080293
Energy: 0.5324796796988329
Energy: 0.5482217616341989
Energy: 0.5319647878180792
Energy: 0.742145302825091
Energy: 0.5396549266279751
Energy: 0.5216269297738946
Energy: 0.4641313678503877
Energy: 0.5403895191827996
Energy: 0.5422989212490135

minimum gb energy = 0.4641313678503877 eV
minimum distance =  2.65966200333151 Angstroms
sigma value = 33


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

Energy: 0.8321843596679099
Energy: 0.5627122909432689
Energy: 0.5633681770111996
Energy: 0.6899096526884185
Energy: 0.5550522723794419
Energy: 0.5634279071925506
Energy: 0.6135502341290734
Energy: 0.550229674113276
Energy: 0.5507009490989705
Energy: 0.541865394828655
Energy: 0.550335333645814
Energy: 0.5488441714932443
Energy: 0.6490540012453995
Energy: 0.5508472260748912
Energy: 0.5510094082774835
Energy: 0.5539233614720657
Energy: 0.5509669211544794
Energy: 0.532781271931901
Energy: 0.6980188255185968
Energy: 0.5466582189440886
Energy: 0.5472958058310868
Energy: 0.5477680755719607
Energy: 0.5466528098351146
Energy: 0.547039327891988
Energy: 0.6565913464988019
Energy: 0.5510083558543798
Energy: 0.5527528120347831
Energy: 0.5410520642171648
Energy: 0.5507526590308657
Energy: 0.5551155861559137
Energy: 0.7047230843455135
Energy: 0.5509941460593487
Energy: 0.55230746251066
Energy: 0.5428185819907804
Energy: 0.55102461747175
Energy: 0.5500137199694961
Energy: 0.7033944974656973
Energy: 0.5513208771183505
Energy: 0.5345426209864551
Energy: 0.5444351409786548
Energy: 0.5534395613733442
Energy: 0.5335629664918462
Energy: 0.6598984238829321
Energy: 0.5350412694035592
Energy: 0.5357137614053793
Energy: 0.5548406337486682
Energy: 0.5346404691954694
Energy: 0.5358000374588336
Energy: 0.5835464119338662
Energy: 0.5343913363684641
Energy: 0.5332303455552689
Energy: 0.5499700848170036
Energy: 0.5342284139520727
Energy: 0.554039289197451
Energy: 0.5828738050170632
Energy: 0.5385740582167434
Energy: 0.5378387304583155
Energy: 0.5511526342398128
Energy: 0.5376853587639883
Energy: 0.5323585131690607
Energy: 0.6116097936613082
Energy: 0.5351003093711325
Energy: 0.5351179187930406
Energy: 0.5645869332602227
Energy: 0.5349427556796549
Energy: 0.5355674173186755
Energy: 0.5502852030952575
Energy: 0.5369434876818487
Energy: 0.548888005429456
Energy: 0.5504217461591946
Energy: 0.5369942213866061
Energy: 0.5499595390968338
Energy: 0.5508448975875161
Energy: 0.5458078458751149
Energy: 0.5336584371476516
Energy: 0.5509026128165799
Energy: 0.5399078828010421
Energy: 0.5526773827341627
Energy: 0.5594597416100096
Energy: 0.5404191604719332
Energy: 0.5416085860340493
Energy: 0.5530417243597336
Energy: 0.5435184515194905
Energy: 0.561891176062176
Energy: 0.5823474347848572
Energy: 0.5386612380207261
Energy: 0.5368948104184651
Energy: 0.5521570721204071
Energy: 0.5393295748891616
Energy: 0.5552692155026547
Energy: 0.584218984764515
Energy: 0.5333936772290307
Energy: 0.5498343855587088
Energy: 0.5510881497738063
Energy: 0.5428146239744291
Energy: 0.551970875260733
Energy: 0.66007264206567
Energy: 0.5328467450783878
Energy: 0.5355682892614064
Energy: 0.5499663729038051
Energy: 0.5332297448180806
Energy: 0.5442272723439776
Energy: 0.6141195751362465
Energy: 0.5436474800244196
Energy: 0.533064237493986
Energy: 0.5344212921058665
Energy: 0.5441667249582598
Energy: 0.5343562276096676
Energy: 0.6157878565325196
Energy: 0.5500591251684208
Energy: 0.5515246631143289
Energy: 0.5339766951486141
Energy: 0.5507277468693204
Energy: 0.5329852030720598
Energy: 0.6570750325459119
Energy: 0.551021889813718
Energy: 0.5499461461717162
Energy: 0.5378371817936072
Energy: 0.5509675327024773
Energy: 0.5367228221125899
Energy: 0.7866839475990274
Energy: 0.544648354712759
Energy: 0.5400622154566806
Energy: 0.5348969293785878
Energy: 0.5579583610770013
Energy: 0.5347450712090398
Energy: 0.6136382133216643
Energy: 0.5502639755382817
Energy: 0.5363635220829132
Energy: 0.5347894289402714
Energy: 0.5504110127521384
Energy: 0.5491644886433911
Energy: 0.6594285560272701
Energy: 0.5507040958648886
Energy: 0.5511245814861102
Energy: 0.5406849306925295
Energy: 0.5507805439848064
Energy: 0.5186165777067362
Energy: 0.7229264805341172
Energy: 0.5510779794842732
Energy: 0.5474867022702588
Energy: 0.5401863904657157
Energy: 0.5591839366253091
Energy: 0.5538467129498625
Energy: 0.6584327590418693
Energy: 0.5521803240455235
Energy: 0.5501791806208332
Energy: 0.5411107612972806
Energy: 0.5537679208670545
Energy: 0.5331502454810528
Energy: 0.6563693681110553
Energy: 0.5490694802589335
Energy: 0.5507952936441536
Energy: 0.541415647997256
Energy: 0.5497363903403326
Energy: 0.5501627723616992
Energy: 0.7020350923949286
Energy: 0.5431415181815097
Energy: 0.5433251491158108
Energy: 0.5437166626414821
Energy: 0.5432380320078699
Energy: 0.5437756132050799
Energy: 0.6570442261530682
Energy: 0.5369380308654418
Energy: 0.5342856310263233
Energy: 0.5347835182412599
Energy: 0.5342242866168587
Energy: 0.5332879048327224
Energy: 0.5824906562076801
Energy: 0.5349022868730363
Energy: 0.534503442046271
Energy: 0.5513792087379636
Energy: 0.5341582549772782
Energy: 0.5433849218074676
Energy: 0.5853280212775906
Energy: 0.536964026575246
Energy: 0.5369569800091354
Energy: 0.5498336013410821
Energy: 0.5373565749243998
Energy: 0.5321417594284105
Energy: 0.6129550780164584
Energy: 0.5360507911203601
Energy: 0.5347295224375269
Energy: 0.5472836228409591
Energy: 0.5351488966650674
Energy: 0.5400259740179983
Energy: 0.5503283485750676
Energy: 0.5369938559922064
Energy: 0.5462227961159708
Energy: 0.5503613372212413
Energy: 0.5348467834818391
Energy: 0.5497266311092326
Energy: 0.5538693246805078
Energy: 0.5392699376885799
Energy: 0.5376465400181001
Energy: 0.5549347938241292
Energy: 0.5423963128652144
Energy: 0.5358907930850505
Energy: 0.5558792541510518
Energy: 0.5414124940983375
Energy: 0.5411433085898758
Energy: 0.5559772473962554
Energy: 0.5410468336966864
Energy: 0.5557414304009249
Energy: 0.5826255384838845
Energy: 0.5454030528407025
Energy: 0.5400228924777455
Energy: 0.549772800238413
Energy: 0.5404623385766526
Energy: 0.5497006000489117
Energy: 0.5819929797055069
Energy: 0.5408710808371862
Energy: 0.5497297481798324
Energy: 0.5511751303744449
Energy: 0.540968928816855
Energy: 0.5519996706482856
Energy: 0.5825878238390312
Energy: 0.5441405244717359
Energy: 0.5431537016339253
Energy: 0.5495142470211798
Energy: 0.543436392629222
Energy: 0.543334020087152
Energy: 0.6160234260737376
Energy: 0.5341088578637706
Energy: 0.5345174819563456
Energy: 0.5340231474892742
Energy: 0.533394903768188
Energy: 0.5479304047676992
Energy: 0.6134551139171951
Energy: 0.5506865191535878
Energy: 0.54312151406692
Energy: 0.5343848693750638
Energy: 0.5508867621481943
Energy: 0.5350893831155636
Energy: 0.6561060512771825
Energy: 0.5495369820774411
Energy: 0.5523379709273967
Energy: 0.5443599795600026
Energy: 0.5495884016736304
Energy: 0.5366797491452314
Energy: 0.7862166345780756
Energy: 0.553630136510929
Energy: 0.5407747261729346
Energy: 0.5125729495286687
Energy: 0.5508402749025006
Energy: 0.529202654867328

minimum gb energy = 0.5125729495286687 eV
minimum distance =  2.69970535399941 Angstroms
sigma value = 51


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

Energy: 0.7952268986976301
Energy: 0.5325886677552921
Energy: 0.5341435844157751
Energy: 0.5192640097306604
Energy: 0.5475018759782663
Energy: 0.5995974388691973
Energy: 0.6616655540402094
Energy: 0.5621346518014236
Energy: 0.5674300939949826
Energy: 0.5060652665487072
Energy: 0.562115171056082
Energy: 0.5339447852197894
Energy: 0.6683257615122079
Energy: 0.5614424882600667
Energy: 0.5477456257298418
Energy: 0.5493118075700708
Energy: 0.5614583561523404
Energy: 0.5375835672620777
Energy: 0.7251926186020724
Energy: 0.5329145692636008
Energy: 0.5335774302789668
Energy: 0.5057852635517802
Energy: 0.5330455351594798
Energy: 0.5507418189703513
Energy: 0.6282010257704314
Energy: 0.561365554173044
Energy: 0.5620974943064517
Energy: 0.5552373511054834
Energy: 0.5612949845343804
Energy: 0.5539428073960301
Energy: 0.6278263793499029
Energy: 0.5600786603803691
Energy: 0.5593265331667437
Energy: 0.5601427592638297
Energy: 0.5599305376656994
Energy: 0.5627047450611418
Energy: 0.6282174649740964
Energy: 0.5543887486783486
Energy: 0.555312585743017
Energy: 0.5625794482421868
Energy: 0.5072414295626856
Energy: 0.5619995209121289
Energy: 0.648535849299203
Energy: 0.5146444192737544
Energy: 0.5329476565291451
Energy: 0.5332347186313589
Energy: 0.5145833689626401
Energy: 0.5323374295933124
Energy: 0.5625396692528799
Energy: 0.5132930581354617
Energy: 0.5132685758668354
Energy: 0.5625531524923088
Energy: 0.5249307136359873
Energy: 0.5570415265856764
Energy: 0.5627891255009145
Energy: 0.5068561066013223
Energy: 0.5324251303929081
Energy: 0.5625747538023268
Energy: 0.505218480210208
Energy: 0.5433783185073396
Energy: 0.6245959178439238
Energy: 0.531593689044237
Energy: 0.5317104403157433
Energy: 0.5633883269040783
Energy: 0.5313852275238444
Energy: 0.5353603709167706
Energy: 0.5810172342565434
Energy: 0.5051887203185254
Energy: 0.5556243379190964
Energy: 0.5485332242201576
Energy: 0.5477914093267076
Energy: 0.542974836240717
Energy: 0.5781828086083307
Energy: 0.549113845033084
Energy: 0.5485150721375568
Energy: 0.5645924173699428
Energy: 0.5391902820709283
Energy: 0.5662695471008053
Energy: 0.5801907738731966
Energy: 0.5351344011428439
Energy: 0.5341501015725724
Energy: 0.5654738412276606
Energy: 0.5086065835996068
Energy: 0.5110332904938785
Energy: 0.6575475307688419
Energy: 0.5133977626003694
Energy: 0.513671065198621
Energy: 0.5477348347610185
Energy: 0.4931097975280325
Energy: 0.5133462281625863
Energy: 0.6571878461093689
Energy: 0.5661545923503777
Energy: 0.5557549715527481
Energy: 0.49616961430448475
Energy: 0.5661691222973865
Energy: 0.55180839757297
Energy: 0.6725678083859782
Energy: 0.5662973205634784
Energy: 0.5660915097674927
Energy: 0.5433393055871467
Energy: 0.5686051418508868
Energy: 0.5489327605958432
Energy: 0.7924115968932014
Energy: 0.5549424712646724
Energy: 0.5330622164584475
Energy: 0.47471098917800647
Energy: 0.5481055277169474
Energy: 0.5328666351707697

minimum gb energy = 0.47471098917800647 eV
minimum distance =  2.696871838805 Angstroms
sigma value = 19


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

Energy: 0.6691660938922372
Energy: 0.5349105242126095
Energy: 0.5576535076362777
Energy: 0.5587549504038661
Energy: 0.5422432113977235
Energy: 0.5584105291238474
Energy: 0.647119550285349
Energy: 0.5407663702633733
Energy: 0.5420137214514642
Energy: 0.5391607141680707
Energy: 0.540554388915836
Energy: 0.5427158122985903
Energy: 0.6068817906041334
Energy: 0.5401577388594841
Energy: 0.5417276929900853
Energy: 0.5500506986883529
Energy: 0.5423221849373404
Energy: 0.5416341063834306
Energy: 0.5932258691166241
Energy: 0.5410835643932115
Energy: 0.5409734289221543
Energy: 0.5366685483922857
Energy: 0.5314007727926789
Energy: 0.5308806610104878
Energy: 0.5856894331124262
Energy: 0.5406861510302604
Energy: 0.540265029907099
Energy: 0.5250159609668122
Energy: 0.5404836985163067
Energy: 0.5584494363664492
Energy: 0.6063558284271425
Energy: 0.5179948084134044
Energy: 0.5601096327346917
Energy: 0.55127006066734
Energy: 0.5177124588359193
Energy: 0.5615176872728193
Energy: 0.6060717017974702
Energy: 0.5608391837435168
Energy: 0.5490148613311264
Energy: 0.5522898829907917
Energy: 0.5265322004611108
Energy: 0.5493318687323213
Energy: 0.5907983075605445
Energy: 0.5019041546052241
Energy: 0.5022722111360941
Energy: 0.5924671702912879
Energy: 0.5019690684194449
Energy: 0.5102963253192389
Energy: 0.5415405218017696
Energy: 0.5015592739426616
Energy: 0.5024205046874505
Energy: 0.5415533721297693
Energy: 0.5015967836520913
Energy: 0.510186309903518
Energy: 0.541183487665212
Energy: 0.5407419751205567
Energy: 0.5406612331014716
Energy: 0.5406080884073404
Energy: 0.5496926243778246
Energy: 0.5403936343769558
Energy: 0.5389280844788433
Energy: 0.5459618887636978
Energy: 0.5454573744116095
Energy: 0.5393974079937334
Energy: 0.5458594684986761
Energy: 0.5280149833799673
Energy: 0.6087733138687245
Energy: 0.5597281040045408
Energy: 0.5620472011824734
Energy: 0.5411154380446398
Energy: 0.5520910187239687
Energy: 0.5410486031580117
Energy: 0.5165251071440712
Energy: 0.5498063504386406
Energy: 0.5597258790525869
Energy: 0.5176986536463519
Energy: 0.5506367621020664
Energy: 0.561137447862463
Energy: 0.607677481990618
Energy: 0.558533946003048
Energy: 0.5580255527162085
Energy: 0.5405234556109278
Energy: 0.560869958942799
Energy: 0.5588195019991303
Energy: 0.6719624120452656
Energy: 0.5431081149289679
Energy: 0.5310802700291657
Energy: 0.5018095335875068
Energy: 0.5411841447587546
Energy: 0.5101303149007598
Energy: 0.6722182150596372
Energy: 0.5403403432721863
Energy: 0.5105265163109639
Energy: 0.501524974698557
Energy: 0.5403221339704974
Energy: 0.5021912396630469
Energy: 0.588495860633298
Energy: 0.5404415800828148
Energy: 0.540435688576329
Energy: 0.5349642954114827
Energy: 0.5391144376605438
Energy: 0.5420715625968743
Energy: 0.5903677698633933
Energy: 0.5434422601159453
Energy: 0.5416764033406782
Energy: 0.5342327712775852
Energy: 0.5433091632675303
Energy: 0.5413959760940573
Energy: 0.5899282974353909
Energy: 0.5414073319776708
Energy: 0.5411159995157655
Energy: 0.5352535923639465
Energy: 0.540966419075323
Energy: 0.5396994656240007
Energy: 0.6098879757770373
Energy: 0.5175989033450665
Energy: 0.550514073130276
Energy: 0.5497635920560859
Energy: 0.5172769555366861
Energy: 0.5574678932300352
Energy: 0.6042863882428285
Energy: 0.5508550573785871
Energy: 0.5552884064511856
Energy: 0.5612756498618816
Energy: 0.5396068773046989
Energy: 0.5582132594176468
Energy: 0.6065539684140813
Energy: 0.5256213734039263
Energy: 0.5602026030006064
Energy: 0.5400756020431057
Energy: 0.5269954085254696
Energy: 0.560083512094467
Energy: 0.5899507150660179
Energy: 0.5583138757830248
Energy: 0.5577665797600799
Energy: 0.5899755529510269
Energy: 0.5581474590220227
Energy: 0.501031221079101
Energy: 0.5401007222154476
Energy: 0.5440188459917272
Energy: 0.542174754830701
Energy: 0.5402326691047484
Energy: 0.5261344280170892
Energy: 0.5419814541204887
Energy: 0.540529613275576
Energy: 0.5192406654604258
Energy: 0.5409370033667638
Energy: 0.5403393326638877
Energy: 0.5492207977237475
Energy: 0.5414918969191502
Energy: 0.5929825389720252
Energy: 0.5360445143268923
Energy: 0.5413285192542892
Energy: 0.5930989799024264
Energy: 0.5366722074030011
Energy: 0.5409948446485129
Energy: 0.6055082398687214
Energy: 0.5615646856266668
Energy: 0.5591676821304398
Energy: 0.5403784751189918
Energy: 0.5618296363591895
Energy: 0.5500516857197343
Energy: 0.5210877589681171
Energy: 0.5544482244125934
Energy: 0.5506176283970452
Energy: 0.5173392353530007
Energy: 0.5533954794741254
Energy: 0.5576479286895268
Energy: 0.5862203057280071
Energy: 0.5514747725472968
Energy: 0.5505128736938323
Energy: 0.5247275239648955
Energy: 0.5532517973952378
Energy: 0.5495012345996035
Energy: 0.6713982978385611
Energy: 0.5322230063259064
Energy: 0.5100231754265138
Energy: 0.5021662972526113
Energy: 0.5309096845697184
Energy: 0.5020130655453362

minimum gb energy = 0.501031221079101 eV
minimum distance =  2.73574879642226 Angstroms
sigma value = 27


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

Energy: 0.588536201727596
Energy: 0.6218441217227175
Energy: 0.6224656432849226
Energy: 0.5196286218609569
Energy: 0.5470312924741683
Energy: 0.6244147354393257
Energy: 0.5379328758446003
Energy: 0.5171870485682952
Energy: 0.5172764455014855
Energy: 0.49430504946655807
Energy: 0.5170667118376747
Energy: 0.4644837641387879
Energy: 0.5454430854566917
Energy: 0.5174536055234638
Energy: 0.5265314382556053
Energy: 0.4653200713553339
Energy: 0.5160727121214297
Energy: 0.482232278098487
Energy: 0.5440222053308963
Energy: 0.4648073451226987
Energy: 0.464748016406179
Energy: 0.481452028954369
Energy: 0.5426496010846031
Energy: 0.4642658146083763
Energy: 0.592703670358037
Energy: 0.45742111052128237
Energy: 0.4652583795855574
Energy: 0.48983730851593615
Energy: 0.5219195574250662
Energy: 0.46591535297385733
Energy: 0.5173179184833012
Energy: 0.44001249026624323
Energy: 0.4590163712460732
Energy: 0.5175930384575649
Energy: 0.4399311344763186
Energy: 0.44000405893550826
Energy: 0.5169919444405469
Energy: 0.49057753646121716
Energy: 0.48043501292350427
Energy: 0.516979022569891
Energy: 0.4963847255905438
Energy: 0.49120952711554
Energy: 0.5168514889440669
Energy: 0.48713824404418926
Energy: 0.5424627276464427
Energy: 0.5167371411439838
Energy: 0.49202286082961766
Energy: 0.5254341363402885
Energy: 0.5462234030943547
Energy: 0.4640239583114359
Energy: 0.4644651949710156
Energy: 0.5167070195622213
Energy: 0.4939159321371373
Energy: 0.48077383675575386
Energy: 0.4928503841018693
Energy: 0.4807385175728535
Energy: 0.47960580105716877
Energy: 0.5162634374983329
Energy: 0.48385556969172433
Energy: 0.4916710640066591
Energy: 0.5459994817484807
Energy: 0.5136604748392327
Energy: 0.5146761085619319
Energy: 0.4897328423203746
Energy: 0.5140455917968125
Energy: 0.48112100660279794
Energy: 0.5379328765733754
Energy: 0.49061472512515114
Energy: 0.48912227718155105
Energy: 0.4945132726548911
Energy: 0.5172860021665172
Energy: 0.4644952676888282

minimum gb energy = 0.4399311344763186 eV
minimum distance =  2.71908985927739 Angstroms
sigma value = 9


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

Energy: 0.811333920028042
Energy: 0.5211388814439457
Energy: 0.6333276261801032
Energy: 0.49071169963170164
Energy: 0.4512981815689494
Energy: 0.48989263007548345
Energy: 0.4344207191305956
Energy: 0.45123742342448975
Energy: 0.4512263098131481
Energy: 0.4340579495617477
Energy: 0.45132259310896167
Energy: 0.4322761057753534
Energy: 0.46411934104406155
Energy: 0.45441155949361384
Energy: 0.44181183487901027
Energy: 0.4334126420394599
Energy: 0.45089962693944735
Energy: 0.4428749222909802
Energy: 0.5719360680138177
Energy: 0.4250110224209233
Energy: 0.424848023505432
Energy: 0.4377945080309979
Energy: 0.4527307005765777
Energy: 0.41584863200913164
Energy: 0.4867517920613777
Energy: 0.4310991730840199
Energy: 0.4033682659355346
Energy: 0.45110850655107776
Energy: 0.4296793455566856
Energy: 0.44264486337495357
Energy: 0.4546009350180838
Energy: 0.43532433775753954
Energy: 0.41634625154597205
Energy: 0.45481180972434404
Energy: 0.417771837446979
Energy: 0.4160826540179479
Energy: 0.457460551998753
Energy: 0.4149873244349979
Energy: 0.4150870121816971
Energy: 0.4584146852091815
Energy: 0.4333919116745248
Energy: 0.46276665846226167
Energy: 0.44734255269862194
Energy: 0.4468594133764189
Energy: 0.4161800657922172
Energy: 0.4475451742394274
Energy: 0.43461271648299443
Energy: 0.4239481021373384
Energy: 0.45108339570698736
Energy: 0.43320192977972005
Energy: 0.43970969014300615
Energy: 0.45300354299432477
Energy: 0.439704867513237
Energy: 0.4437469655975864
Energy: 0.6486279710591986
Energy: 0.4366483007769529
Energy: 0.4292736016946043
Energy: 0.42539876898030204
Energy: 0.45031470500346676
Energy: 0.4365132102981435
Energy: 0.4338199938680691
Energy: 0.4579231279343347
Energy: 0.46144170681831614
Energy: 0.42502268162467155
Energy: 0.458714316891577
Energy: 0.415402300905112
Energy: 0.5021042053619208
Energy: 0.45834874561474354
Energy: 0.45766501298070905
Energy: 0.42491913199109627
Energy: 0.4586060248481085
Energy: 0.4103864565626413
Energy: 0.7274229551411912
Energy: 0.5412791796575245
Energy: 0.44081121706850535
Energy: 0.4408246752735117
Energy: 0.45611751023963265
Energy: 0.46408898154307177
Energy: 0.5019908412182477
Energy: 0.45108194732151613
Energy: 0.44245770288165764
Energy: 0.42802955201841464
Energy: 0.4536772276453747
Energy: 0.41599947205372473
Energy: 0.4497128883021758
Energy: 0.4468556485517607
Energy: 0.4479283384708626
Energy: 0.450122036412017
Energy: 0.44677793858924747
Energy: 0.4508120409760616
Energy: 0.4509835173300206
Energy: 0.4344127574708539
Energy: 0.4300660300746107
Energy: 0.4517467841767489
Energy: 0.4457211770931423
Energy: 0.4446357490701899
Energy: 0.45106254951202035
Energy: 0.414454229634509
Energy: 0.40838580675109654
Energy: 0.4510131713519492
Energy: 0.4230290772484264
Energy: 0.43464176399698123
Energy: 0.46577810768450095
Energy: 0.4431443754421541
Energy: 0.4273185859123156
Energy: 0.45096268920245614
Energy: 0.4515022399775012
Energy: 0.4399845316599465
Energy: 0.46360266932772143
Energy: 0.43346274865993184
Energy: 0.4358415385189545
Energy: 0.45163565529083893
Energy: 0.4365572609065964
Energy: 0.43119893391162956
Energy: 0.4631311187115378
Energy: 0.43997611634477074
Energy: 0.4286926703116679
Energy: 0.4399563129105553
Energy: 0.4394443106044658
Energy: 0.4296998418418496
Energy: 0.4638748913491894
Energy: 0.45255531197761584
Energy: 0.44332342897806654
Energy: 0.4435073911564626
Energy: 0.45333850927004143
Energy: 0.43083787236365895
Energy: 0.491894649168789
Energy: 0.45269131851164485
Energy: 0.45208205070525737
Energy: 0.4315088892462433
Energy: 0.4517431406252837
Energy: 0.42165059720962567
Energy: 0.4882214956827065
Energy: 0.45112070772868434
Energy: 0.4428442140878855
Energy: 0.4315496638028006
Energy: 0.45129638951529133
Energy: 0.41140695134138977
Energy: 0.4639781938470439
Energy: 0.4518244856839385
Energy: 0.45175420687456014
Energy: 0.4530354806775779
Energy: 0.45170609951725443
Energy: 0.4427660077126049
Energy: 0.5669378473207599
Energy: 0.42489123001012497
Energy: 0.4515793246283318
Energy: 0.45149393883174666
Energy: 0.4507638603953699
Energy: 0.45247202073837606
Energy: 0.46395015672263784
Energy: 0.4243240044800122
Energy: 0.41660256915692645
Energy: 0.4535458201158696
Energy: 0.42482263658465375
Energy: 0.44232654890663065
Energy: 0.5775453264335421
Energy: 0.4489812346024643
Energy: 0.44980463740639975
Energy: 0.5771420843782974
Energy: 0.4484600034031744
Energy: 0.4413772543604734
Energy: 0.46217535222594686
Energy: 0.41574894569290605
Energy: 0.4160729054852823
Energy: 0.4629600913989546
Energy: 0.42459094056161384
Energy: 0.45226047898321614
Energy: 0.46298451439129024
Energy: 0.42646153853968355
Energy: 0.4160384406332398
Energy: 0.45914395621418563
Energy: 0.4356978216964851
Energy: 0.4585817059496741
Energy: 0.4389744147725475
Energy: 0.44758922922385386
Energy: 0.4164008998219825
Energy: 0.45066555643280937
Energy: 0.4392859953101411
Energy: 0.4294265687326458
Energy: 0.43379798354237514
Energy: 0.4372395342916546
Energy: 0.452360390735926
Energy: 0.4251108629191537
Energy: 0.4382782913367364
Energy: 0.4467254668760938
Energy: 0.647211929138144
Energy: 0.42511621384185144
Energy: 0.4337374085351115
Energy: 0.4223280947202129
Energy: 0.4476781826692872
Energy: 0.43654405968571475
Energy: 0.4633795459057627
Energy: 0.46204395101032214
Energy: 0.45781443789342297
Energy: 0.4522249051477491
Energy: 0.45915507121209687
Energy: 0.4148479880220298
Energy: 0.5692523118762817
Energy: 0.4564814847456123
Energy: 0.4623120710800296
Energy: 0.4321192882509953
Energy: 0.4558931718974347
Energy: 0.4312587359760271
Energy: 0.4624279703552811
Energy: 0.4509547483219606
Energy: 0.43424728221160164
Energy: 0.43248686995215013
Energy: 0.4506448083542262
Energy: 0.41619112792202295
Energy: 0.4507167944534813
Energy: 0.4425556848539756
Energy: 0.41540241128130734
Energy: 0.4587460423329876
Energy: 0.44371453804883854
Energy: 0.42469272235514555
Energy: 0.44930241255285613
Energy: 0.4354232386098628
Energy: 0.4353962939986821
Energy: 0.4501482383466018
Energy: 0.4415462549840376
Energy: 0.4399181375001436
Energy: 0.45085029693209516
Energy: 0.43319817055201904
Energy: 0.43283611157442686
Energy: 0.45076764479626863
Energy: 0.43361224863243436
Energy: 0.44114346252350034
Energy: 0.4867044938774111
Energy: 0.4645245615232506
Energy: 0.4887278079143366
Energy: 0.5636122732433176
Energy: 0.4883954305010459
Energy: 0.43328243873620487
Energy: 0.4639131685982079
Energy: 0.43225194705424347
Energy: 0.43042951155306686
Energy: 0.4504091789943888
Energy: 0.43411711199526765
Energy: 0.4376990078956356
Energy: 0.46336764645013445
Energy: 0.428286372924071
Energy: 0.4302270660068262
Energy: 0.4433864997705694
Energy: 0.441685105571444
Energy: 0.4437949437683865
Energy: 0.46387118355172974
Energy: 0.444356284331445
Energy: 0.44456162542066446
Energy: 0.45140993305455174
Energy: 0.4454620307021041
Energy: 0.42722625240590173
Energy: 0.48812010211267776
Energy: 0.45108901617995245
Energy: 0.43616062936533323
Energy: 0.4314516533316354
Energy: 0.45148624748233707
Energy: 0.4110767012381725

minimum gb energy = 0.4033682659355346 eV
minimum distance =  2.68308378618345 Angstroms
sigma value = 57


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

Energy: 0.19691661102340025
Energy: 0.20473562734091263
Energy: 0.20389460537902493
Energy: 0.19839520592962043
Energy: 0.22695033466735318
Energy: 0.19797381369261577
Energy: 0.19769473077866992
Energy: 0.2100813736296656
Energy: 0.21013587507356402
Energy: 0.2229729563676041
Energy: 0.2242746259688186
Energy: 0.21767845658161514
Energy: 0.2515797611399479
Energy: 0.22546872793882208
Energy: 0.23071863447460475
Energy: 0.22464092061496646
Energy: 0.22517606809900773
Energy: 0.21268407901019637
Energy: 0.25157032536748725
Energy: 0.2253878162373355
Energy: 0.22829342365715943
Energy: 0.2252613122830482
Energy: 0.2518299731812008
Energy: 0.21054231808061943
Energy: 0.24898135660530807
Energy: 0.19816592762209137
Energy: 0.21505095165236388
Energy: 0.2502185957153595
Energy: 0.19799437456087016
Energy: 0.21126900791720893
Energy: 0.2251212319431902
Energy: 0.19810254552824486
Energy: 0.19872843109290494
Energy: 0.20971317935081676
Energy: 0.19770361878225598
Energy: 0.21303665806374208
Energy: 0.2216892485820299
Energy: 0.20987361787551792
Energy: 0.21068582747109374
Energy: 0.2223357417472663
Energy: 0.21019370277219895
Energy: 0.21842991396371023
Energy: 0.22493938873384745
Energy: 0.22772416922730937
Energy: 0.22626061063168262
Energy: 0.22494979739815824
Energy: 0.23448232717353287
Energy: 0.22606826243133588
Energy: 0.2490160641617576
Energy: 0.2265208479844383
Energy: 0.21265652723196427
Energy: 0.22513611308002743
Energy: 0.22432276454031988
Energy: 0.2140067385657149
Energy: 0.1975214783179255
Energy: 0.2261419822681128
Energy: 0.2142613354377561
Energy: 0.19766931138382568
Energy: 0.22442510817426783
Energy: 0.21337240426595877
Energy: 0.1975179489848523
Energy: 0.209734869252814
Energy: 0.21009304908473242
Energy: 0.1976805191662465
Energy: 0.2087796417218598
Energy: 0.21430790030194347
Energy: 0.25044671592749285
Energy: 0.22584172613489367
Energy: 0.23227108363545707
Energy: 0.22391738873094846
Energy: 0.22452727154255692
Energy: 0.21187090644050313
Energy: 0.2512792584104516
Energy: 0.2514028483115287
Energy: 0.25091891863905613
Energy: 0.22535819721060857
Energy: 0.2514931462410754
Energy: 0.2509302736917171
Energy: 0.2495933504226237
Energy: 0.22575483329152257
Energy: 0.22873793963607614
Energy: 0.2527210603425532
Energy: 0.22414228035102884
Energy: 0.2115933194983161
Energy: 0.2519978228845536
Energy: 0.20264770959842957
Energy: 0.1978393421635289
Energy: 0.22551706293895135
Energy: 0.20023526399031716
Energy: 0.19869222777826548
Energy: 0.22353218088784552
Energy: 0.21842439975976552
Energy: 0.21752032319737014
Energy: 0.2240789374802126
Energy: 0.19818184822580945
Energy: 0.21062367345222405
Energy: 0.2250021751857501
Energy: 0.22986823155224348
Energy: 0.21908267941413806
Energy: 0.22513343370877
Energy: 0.22492934839271247
Energy: 0.2112572448301845
Energy: 0.25306432880302193
Energy: 0.23199929923064605
Energy: 0.23017882831103836
Energy: 0.25347998274785144
Energy: 0.22640451612089924
Energy: 0.23080644670735836
Energy: 0.197650842752489
Energy: 0.2103230821174597
Energy: 0.2104990089146044
Energy: 0.19783494304131952
Energy: 0.22743919784116454
Energy: 0.23001786817590766

minimum gb energy = 0.19691661102340025 eV
minimum distance =  2.7164465348313 Angstroms
sigma value = 11


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

Energy: 0.6563926814782046
Energy: 0.35312062597487376
Energy: 0.40105802071923974
Energy: 0.5233428518584596
Energy: 0.3392501093192909
Energy: 0.4014483767859548
Energy: 0.3551098563759932
Energy: 0.3647767051887202
Energy: 0.3580951949857866
Energy: 0.35008332003919646
Energy: 0.342098716090979
Energy: 0.3403530842996605
Energy: 0.3452648615032072
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Energy: 0.338890512001583
Energy: 0.343463308389854
Energy: 0.3445989934513174
Energy: 0.3613945221045624
Energy: 0.35085161833779477
Energy: 0.3451745695898142
Energy: 0.343480796103999
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Energy: 0.34324840840076853
Energy: 0.3990383396466592
Energy: 0.36900920856816316
Energy: 0.3559041684890571
Energy: 0.37496654491368697
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Energy: 0.3852993908324409
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Energy: 0.47630250784576467
Energy: 0.47585465884099476
Energy: 0.35599681556602186
Energy: 0.4770439879203535
Energy: 0.37707126963923426
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Energy: 0.3991943192948766
Energy: 0.3721214920459018
Energy: 0.37355073248238274
Energy: 0.3995546685743604
Energy: 0.47918848140134424
Energy: 0.37318507865795303
Energy: 0.36030112535549574
Energy: 0.4595930129360145
Energy: 0.46040838698853537
Energy: 0.3617864801366863
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Energy: 0.3729370395498246
Energy: 0.39721491234345246
Energy: 0.3537364627997584
Energy: 0.3718748306697261
Energy: 0.4005703976034188
Energy: 0.39320373419951143
Energy: 0.36001758111738913
Energy: 0.38092475473033527
Energy: 0.34283604858654865
Energy: 0.35700716546417893
Energy: 0.37843383642929485
Energy: 0.41475521319550707
Energy: 0.3936389027421728
Energy: 0.3962087916277772
Energy: 0.40874621728401517
Energy: 0.47862464880382133
Energy: 0.39791652873699235
Energy: 0.5134545124008717
Energy: 0.3977744392469002
Energy: 0.3695348139864844
Energy: 0.37062497058644267
Energy: 0.39383672768655176
Energy: 0.3684917389902786
Energy: 0.4290924291478273
Energy: 0.501608400586677
Energy: 0.5017967029058786
Energy: 0.429150891832065
Energy: 0.36799015566415555
Energy: 0.3914285464624489
Energy: 0.34118941067101205
Energy: 0.3753105752509782
Energy: 0.3705014679093248
Energy: 0.3415969742174899
Energy: 0.35966620113418263
Energy: 0.36952211648020955
Energy: 0.3861613394708825
Energy: 0.4013443092554752
Energy: 0.3816344596982983
Energy: 0.38680764983065946
Energy: 0.413699612238303
Energy: 0.38178312696372235
Energy: 0.3783337178615371
Energy: 0.34737702954051203
Energy: 0.36332254490878946
Energy: 0.3792104745970125
Energy: 0.3449890806619629
Energy: 0.37879250014419014
Energy: 0.3903016639262739
Energy: 0.3521367589853967
Energy: 0.34537192743951045
Energy: 0.37418546820834403
Energy: 0.3583378861137897
Energy: 0.32933156726192986

minimum gb energy = 0.32933156726192986 eV
minimum distance =  2.68452805857915 Angstroms
sigma value = 41


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

Energy: 0.6458102786915657
Energy: 0.3820465838375649
Energy: 0.37657062371924555
Energy: 0.5085431716959247
Energy: 0.3667871636699242
Energy: 0.5068224587446621
Energy: 0.3847095023093221
Energy: 0.3671890820201798
Energy: 0.37758332174072257
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Energy: 0.3688837876234231
Energy: 0.3692616850383927
Energy: 0.36705712214388436
Energy: 0.36592172616890484
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Energy: 0.3665603504441668
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Energy: 0.371797544204381
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Energy: 0.3934194417009779
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Energy: 0.3859371776685731
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Energy: 0.3785733493532237
Energy: 0.41279834757662476
Energy: 0.42580339577238036
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Energy: 0.36867378790633615
Energy: 0.3688884221959915
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Energy: 0.3834019845613579
Energy: 0.44092282389982873
Energy: 0.4407391048541502
Energy: 0.3848103061310459
Energy: 0.4411449756250786
Energy: 0.3701234829395047
Energy: 0.4138465502851791
Energy: 0.3731880747837746
Energy: 0.3673204881743425
Energy: 0.3916764057639925
Energy: 0.37184185834939654
Energy: 0.3794575971753143
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Energy: 0.45446177335618787
Energy: 0.37117976862358526
Energy: 0.37882072759107394
Energy: 0.48467054626444483
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Energy: 0.37293522194807077
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Energy: 0.4761218574182041
Energy: 0.35313356222456754
Energy: 0.35156269580297034
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Energy: 0.3523071069393522
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Energy: 0.42817155560874637
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Energy: 0.43516691873916546
Energy: 0.43391854473005326
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Energy: 0.43769162946745827
Energy: 0.43766436190136376
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Energy: 0.36967839833412897
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Energy: 0.5834483057381168
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Energy: 0.3505513617090318
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Energy: 0.5029352271271711
Energy: 0.38415314426690556
Energy: 0.3781327696657846
Energy: 0.3698103608765513
Energy: 0.3921307335333551
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Energy: 0.365304958919889
Energy: 0.36898025833430226
Energy: 0.3690955015101422
Energy: 0.3760621340663576
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Energy: 0.36827752292627763
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Energy: 0.3674471398602467
Energy: 0.366976604671364
Energy: 0.36862979946957364
Energy: 0.3664012580801479
Energy: 0.367909433968927
Energy: 0.37088596284169756
Energy: 0.369117943978878
Energy: 0.36826208439571567
Energy: 0.37141119682447177
Energy: 0.36850240801504563
Energy: 0.3862323556789162
Energy: 0.42346189119161687
Energy: 0.4234946432272109
Energy: 0.38601849471874417
Energy: 0.42321564110586274
Energy: 0.42377440760916407
Energy: 0.41381821253929
Energy: 0.3722199891249151
Energy: 0.36936199488048277
Energy: 0.3687169993231476
Energy: 0.3709042665178185
Energy: 0.3672088039805847
Energy: 0.38319408321145604
Energy: 0.43421732841147836
Energy: 0.429137971220022
Energy: 0.3848686315907182
Energy: 0.4347967873721306
Energy: 0.3705519252234477
Energy: 0.4135619709995721
Energy: 0.3682438845141836
Energy: 0.36712959566296177
Energy: 0.3879988109442679
Energy: 0.3722002522750763
Energy: 0.3667782962931839
Energy: 0.48410528833461347
Energy: 0.3886938680398205
Energy: 0.3819797394062124
Energy: 0.45386255940655235
Energy: 0.3718237114621756
Energy: 0.3786787219268683
Energy: 0.48431183280741186
Energy: 0.3723860328066019
Energy: 0.37791419966170714
Energy: 0.4544798453266896
Energy: 0.37264715026473194
Energy: 0.36750307058935616
Energy: 0.47715499394808253
Energy: 0.3659443382129836
Energy: 0.39257166357661344
Energy: 0.389967395248884
Energy: 0.3700570033362184
Energy: 0.3930200906904313
Energy: 0.42857587389090185
Energy: 0.5071202029207819
Energy: 0.506884534076243
Energy: 0.428581346009955
Energy: 0.5054690567489922
Energy: 0.5063563059091624
Energy: 0.3722148834029226
Energy: 0.3908197237462968
Energy: 0.36949029902664937
Energy: 0.37169477346098034
Energy: 0.3902143214944165
Energy: 0.3932658516889157
Energy: 0.4309746038234886
Energy: 0.4288873225616832
Energy: 0.435073858516565
Energy: 0.43065276132851193
Energy: 0.42781823474901365
Energy: 0.430126426603484
Energy: 0.42957538212738344
Energy: 0.3671263052801327
Energy: 0.36708930525387007
Energy: 0.372039617623602
Energy: 0.3698365298477863
Energy: 0.3666380655188113
Energy: 0.5842855589061066
Energy: 0.38576978227253683
Energy: 0.3773196027484864
Energy: 0.5050965234864436
Energy: 0.3679866796719958
Energy: 0.38514883967542374

minimum gb energy = 0.3505513617090318 eV
minimum distance =  2.67266597105346 Angstroms
sigma value = 33


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

Energy: 0.5020170024822062
Energy: 0.6069345634166275
Energy: 0.6069118345926128
Energy: 0.5010690111199946
Energy: 0.7583976690551216
Energy: 0.6071050145216467
Energy: 0.4322430174611771
Energy: 0.39779650148760215
Energy: 0.3966559477198603
Energy: 0.39699915734820546
Energy: 0.41008548775342707
Energy: 0.3988534208940188
Energy: 0.40722474570434847
Energy: 0.3971879758262178
Energy: 0.39741116295132767
Energy: 0.40988186728016474
Energy: 0.3964889260156839
Energy: 0.39560203137151434
Energy: 0.4071069592249708
Energy: 0.4134638165928156
Energy: 0.404158069272364
Energy: 0.4093471540521037
Energy: 0.39745650804144217
Energy: 0.395797789480088
Energy: 0.4076742830505797
Energy: 0.41307044488030087
Energy: 0.3852844483386225
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Energy: 0.41555297607457503
Energy: 0.38668400394423613
Energy: 0.5423914076474565
Energy: 0.38622141424738365
Energy: 0.38620642453075954
Energy: 0.42748125706920814
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Energy: 0.3859010696289495
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Energy: 0.3975500609863205
Energy: 0.4268236087565755
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Energy: 0.3866147465546911
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Energy: 0.39513007423892627
Energy: 0.41101584852723616
Energy: 0.3996699381297907
Energy: 0.39850315327465935
Energy: 0.40313356590039345
Energy: 0.4131366036772428
Energy: 0.39929152444665467
Energy: 0.7062048155189173
Energy: 0.3975950453115351
Energy: 0.38343827316192447
Energy: 0.3842553069035198
Energy: 0.5188626166336947
Energy: 0.3834204806877037

minimum gb energy = 0.3821785609115448 eV
minimum distance =  2.69922971877506 Angstroms
sigma value = 67


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

Energy: 0.5929179937393314
Energy: 0.41927725665359417
Energy: 0.4198808511347255
Energy: 0.41703430607221065
Energy: 0.45187644933928733
Energy: 0.4172728841187736
Energy: 0.46915205098731755
Energy: 0.41395966250135885
Energy: 0.4125078457627168
Energy: 0.4225046012715263
Energy: 0.41459212544720314
Energy: 0.41260654543678793
Energy: 0.43961179094789404
Energy: 0.3851017779937982
Energy: 0.42148055500608256
Energy: 0.42219135294966903
Energy: 0.3844220378715722
Energy: 0.4208743369547309
Energy: 0.4383327608857789
Energy: 0.4230326690709212
Energy: 0.42275547180983597
Energy: 0.42111219381462134
Energy: 0.4145343404492222
Energy: 0.4228741092882509
Energy: 0.444878426942201
Energy: 0.4233749352706083
Energy: 0.4235080600549247
Energy: 0.4454845437165834
Energy: 0.42332190400596054
Energy: 0.42380394188022785
Energy: 0.44432485937078936
Energy: 0.401735541056902
Energy: 0.42482954514673893
Energy: 0.44466470590670687
Energy: 0.40292198943064383
Energy: 0.4252944626968224
Energy: 0.46904121520743786
Energy: 0.42302480443622753
Energy: 0.4225307807055578
Energy: 0.4038778712155001
Energy: 0.4151741052633423
Energy: 0.42283858739678937

minimum gb energy = 0.3844220378715722 eV
minimum distance =  2.7285407017386 Angstroms
sigma value = 3


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

Energy: 0.6357104223354068
Energy: 0.5604007573727471
Energy: 0.5096888476996732
Energy: 0.4632414302007891
Energy: 0.5754204857334531
Energy: 0.5107412365942621
Energy: 0.4744968228373733
Energy: 0.4781076139333889
Energy: 0.45121748450423416
Energy: 0.4541148202575826
Energy: 0.4555089311222758
Energy: 0.4508125638709908
Energy: 0.4521374617513134
Energy: 0.4492723644370809
Energy: 0.4491608364385608
Energy: 0.4533654276578189
Energy: 0.4497269266169866
Energy: 0.451175998444618
Energy: 0.45108523956352947
Energy: 0.4507273444947809
Energy: 0.45042610064955474
Energy: 0.4519314228635789
Energy: 0.44832372143757165
Energy: 0.4502128005476
Energy: 0.4582529239091191
Energy: 0.45004402120819154
Energy: 0.4500874759913088
Energy: 0.4581015916690072
Energy: 0.4726756742042417
Energy: 0.45133269552043326
Energy: 0.4496682107037215
Energy: 0.44960540674871263
Energy: 0.4503949498548406
Energy: 0.4498240958041539
Energy: 0.47315133291992795
Energy: 0.45127998007532893
Energy: 0.4511061932127467
Energy: 0.5014689832913671
Energy: 0.47656834924266417
Energy: 0.45887409745274266
Energy: 0.4972064909301914
Energy: 0.47578507253500296
Energy: 0.7469059396842486
Energy: 0.5019885342123009
Energy: 0.4791326542081948
Energy: 0.4497956683933892
Energy: 0.49712250243346423
Energy: 0.5223302253953238
Energy: 0.45292444563261963
Energy: 0.45176360137978605
Energy: 0.48317605118505164
Energy: 0.4612397022581664
Energy: 0.47480533103072275
Energy: 0.4613843568764833
Energy: 0.5560847166172911
Energy: 0.45881234543868826
Energy: 0.45685536915642716
Energy: 0.5220625551413974
Energy: 0.44860998563191934
Energy: 0.49170485980157996
Energy: 0.4835740096501475
Energy: 0.4499555708998575
Energy: 0.4986183159596912
Energy: 0.48379767888599823
Energy: 0.45173812581869116
Energy: 0.4775258619366286
Energy: 0.5031408495433592
Energy: 0.4517796800187413
Energy: 0.4517646891087217
Energy: 0.5014758264689684
Energy: 0.4941786506228848
Energy: 0.45161432604275686
Energy: 0.47627499757600683
Energy: 0.45156499190344096
Energy: 0.45248809620185954
Energy: 0.46088337085475545
Energy: 0.45115404512923446
Energy: 0.4517075057606528
Energy: 0.5026030813923955
Energy: 0.45492519821954513
Energy: 0.45018707721459184
Energy: 0.4692298464804006
Energy: 0.4522395412055581
Energy: 0.45021669119940827
Energy: 0.5291648628768536
Energy: 0.45465001034728986
Energy: 0.47417628440206033
Energy: 0.4482597638177161
Energy: 0.45414128787177827
Energy: 0.45208252534324456
Energy: 0.5167317681196807
Energy: 0.4552541604826057
Energy: 0.45176925402874557
Energy: 0.4806901636115046
Energy: 0.465622818268642
Energy: 0.47059210975841975
Energy: 0.6081425464231591
Energy: 0.4793664733214411
Energy: 0.47782336666356645
Energy: 0.608843438451927
Energy: 0.48075148590388184
Energy: 0.4758910749133047
Energy: 0.4924702577895528
Energy: 0.47090369420918804
Energy: 0.452242784575623
Energy: 0.46222682417766214
Energy: 0.4517980410584167
Energy: 0.45213607904480413
Energy: 0.4961372630717913
Energy: 0.4719427251764583
Energy: 0.4521144884503946
Energy: 0.4737600964260063
Energy: 0.4532047786312955
Energy: 0.45017341994356064
Energy: 0.4972605430002777
Energy: 0.47398723510879825
Energy: 0.4739480446781212
Energy: 0.46802854902369095
Energy: 0.4735254378115709
Energy: 0.4595472237719073
Energy: 0.47472271750728123
Energy: 0.4749109891599762
Energy: 0.45108909770720096
Energy: 0.48695546439263165
Energy: 0.45265844595479804
Energy: 0.47786223375630127
Energy: 0.47551851422581115
Energy: 0.516016016995638
Energy: 0.47011169205990466
Energy: 0.4758408351436123
Energy: 0.45307158856524155
Energy: 0.47198998761916927
Energy: 0.4806004624412732
Energy: 0.4725349041978437
Energy: 0.4711925778961706
Energy: 0.4810922690712081
Energy: 0.4779063360897218
Energy: 0.49380858514904596
Energy: 0.478105648050235
Energy: 0.4494644341799704
Energy: 0.4493921292676817
Energy: 0.47860680537936756
Energy: 0.4498467663894534
Energy: 0.4802520845988804
Energy: 0.45209912851902134
Energy: 0.47188649271576855
Energy: 0.44689619564093813
Energy: 0.4481060096610957
Energy: 0.4500065499145766
Energy: 0.44653083699332996
Energy: 0.5701190655604639
Energy: 0.47981206586972414
Energy: 0.4789492695361586
Energy: 0.4494635278467032
Energy: 0.48179746866978124
Energy: 0.49733440141834245
Energy: 0.44748954506142835
Energy: 0.48016861752052187
Energy: 0.47997715393508456
Energy: 0.4508668307924683
Energy: 0.4810544455351755
Energy: 0.4712743927403016
Energy: 0.4532344949226875
Energy: 0.44641635857222695
Energy: 0.4467815240853278
Energy: 0.47998938072991154
Energy: 0.44987767168153053
Energy: 0.44661975839090085
Energy: 0.467927996065673
Energy: 0.44968644720638684
Energy: 0.44961693434118405
Energy: 0.46837379901236176
Energy: 0.44995896688629233
Energy: 0.4596736492856484
Energy: 0.45924546271620875
Energy: 0.47077473792202285
Energy: 0.45998766464116625
Energy: 0.4601613305249837
Energy: 0.47518426512807416
Energy: 0.4609566888564772
Energy: 0.4595919797687373
Energy: 0.46097503203102064
Energy: 0.46084017879698924
Energy: 0.44971737048823174
Energy: 0.4758871916557481
Energy: 0.4605929016016731
Energy: 0.4646617578244934
Energy: 0.46119282472607315
Energy: 0.47497178275846424
Energy: 0.4950644726439015
Energy: 0.45366381370338493
Energy: 0.47797699798325194
Energy: 0.5116471982129657
Energy: 0.49444522648874367
Energy: 0.49756989558552756
Energy: 0.4487756137797681
Energy: 0.5166001149330015
Energy: 0.4803301139767025
Energy: 0.46482737610545083
Energy: 0.4527639012654979
Energy: 0.4512728809720865
Energy: 0.47594462177160796
Energy: 0.4689395806583734
Energy: 0.4624822335312895
Energy: 0.4759257850539544
Energy: 0.46058316005997285
Energy: 0.46072220193171864
Energy: 0.4714354498053234
Energy: 0.4514762160684365
Energy: 0.47646463639210285
Energy: 0.5214652434711914
Energy: 0.45869521308414757
Energy: 0.4569236505853949
Energy: 0.5223219404306628
Energy: 0.44909460666040757
Energy: 0.49138858133608465
Energy: 0.5117830968742197
Energy: 0.4555402156714864
Energy: 0.4514516941975247
Energy: 0.4916160465342683
Energy: 0.47713156323379213
Energy: 0.4513535206299775
Energy: 0.4927113410802802
Energy: 0.45211329155947355
Energy: 0.45340887411474556
Energy: 0.449215062586725
Energy: 0.45238804159573703
Energy: 0.47794531877728097
Energy: 0.5084745440751669
Energy: 0.4565207231878613
Energy: 0.45074064977911166
Energy: 0.47040351029083444
Energy: 0.45435191070727965
Energy: 0.4505863541458341
Energy: 0.4691576468442957
Energy: 0.4516094608859533
Energy: 0.45159002172797497
Energy: 0.44782345962260356
Energy: 0.4566911900062083
Energy: 0.45124006595547733
Energy: 0.5162491885740806
Energy: 0.4545315055161643
Energy: 0.45072694855392276
Energy: 0.48265384647273446
Energy: 0.4752677395682584
Energy: 0.45049491367470784
Energy: 0.5379921502386303
Energy: 0.45095467022928404
Energy: 0.447890999092949
Energy: 0.5268534252413402
Energy: 0.4720556296988059
Energy: 0.45046883164769574
Energy: 0.5690462390564989
Energy: 0.48091907548588464
Energy: 0.4779846265786822
Energy: 0.6089915531339276
Energy: 0.44800177526821877
Energy: 0.47671969785582163
Energy: 0.4863550304073928
Energy: 0.4545331132108937
Energy: 0.45059465764771545
Energy: 0.4605426540617551
Energy: 0.45185217813855727
Energy: 0.45213366022190005
Energy: 0.7009597236228625
Energy: 0.47142456782507647
Energy: 0.45869188798692356
Energy: 0.46447573179247015
Energy: 0.4699207635388039
Energy: 0.45977099490829565
Energy: 0.4727629008018884
Energy: 0.4730445627840895
Energy: 0.4726619197267128
Energy: 0.4593028364317037
Energy: 0.47190190042751423
Energy: 0.47449240307766666
Energy: 0.46665062299077303
Energy: 0.46376295330259937
Energy: 0.4628970350795243
Energy: 0.4747481299664156
Energy: 0.47353943825588585
Energy: 0.4664792460230312
Energy: 0.46588250425076644
Energy: 0.46442199868144324
Energy: 0.4649597431122972
Energy: 0.46896860351883796
Energy: 0.4891506375046548
Energy: 0.46626985120078357
Energy: 0.4661958610011382
Energy: 0.44840344243102914
Energy: 0.4502188264362409
Energy: 0.4670991923211435
Energy: 0.44873690031938424
Energy: 0.47239800637821705
Energy: 0.45617888211654906
Energy: 0.4488302754383083
Energy: 0.4485414798110445
Energy: 0.46234773991906764
Energy: 0.4494242456888766
Energy: 0.45124359937559927
Energy: 0.475072050968833
Energy: 0.4646193696194307
Energy: 0.47800578133638943
Energy: 0.4522933246297747
Energy: 0.47485867343844745
Energy: 0.45221305625567415

minimum gb energy = 0.44641635857222695 eV
minimum distance =  2.72044235757731 Angstroms
sigma value = 81


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

Energy: 0.872558683867879
Energy: 0.5210866623512445
Energy: 0.4972358646251628
Energy: 0.4966047206285605
Energy: 0.532353640443579
Energy: 0.5185360767329953
Energy: 0.46688631889010745
Energy: 0.5137745653292837
Energy: 0.49157252571675314
Energy: 0.45917689318981036
Energy: 0.49674331901353264
Energy: 0.47246401167671154
Energy: 0.5151353942890555
Energy: 0.47091176499692733
Energy: 0.47204804468465633
Energy: 0.46684072492798295
Energy: 0.47204721838015196
Energy: 0.5039915075415546
Energy: 0.49906049848250533
Energy: 0.47110153363848656
Energy: 0.514515240703141
Energy: 0.5001512701297519
Energy: 0.4865527553752093
Energy: 0.45729413129359897
Energy: 0.49911839042139217
Energy: 0.5084711306469906
Energy: 0.5124677304274231
Energy: 0.5003013608839428
Energy: 0.5196417907172824
Energy: 0.45605795631266544
Energy: 0.5220795080941799
Energy: 0.5111779818046418
Energy: 0.5129677907139764
Energy: 0.5205053807241368
Energy: 0.5135041316117215
Energy: 0.5107851054486786
Energy: 0.503376260690573
Energy: 0.4786564230162244
Energy: 0.49888498981623397
Energy: 0.4996417955711148
Energy: 0.4818189950402017
Energy: 0.49652335167666156
Energy: 0.5303649086701676
Energy: 0.5735290294756832
Energy: 0.5421471412178805
Energy: 0.4550994749121359
Energy: 0.6143373950013099
Energy: 0.466353475238995
Energy: 0.5557320932504455
Energy: 0.48498874937980296
Energy: 0.502100002341459
Energy: 0.5209241867572734
Energy: 0.4881202434265197
Energy: 0.5021379790674376
Energy: 0.5403252819181797
Energy: 0.4816269672852555
Energy: 0.4806390723452767
Energy: 0.5262088529161932
Energy: 0.480426359157385
Energy: 0.48037685806064884
Energy: 0.5477791392833051
Energy: 0.4795881553126325
Energy: 0.48346126122323574
Energy: 0.5068589371411482
Energy: 0.4536655319763669
Energy: 0.5066721330989924
Energy: 0.48858120013303613
Energy: 0.4848938241246975
Energy: 0.48475560893955744
Energy: 0.46377034362737557
Energy: 0.48755986050457906
Energy: 0.5083080010452495
Energy: 0.48989508801653214
Energy: 0.5076912051589024
Energy: 0.5072422933595858
Energy: 0.47105659667695654
Energy: 0.5075838907749312
Energy: 0.45331897836606455
Energy: 0.4856532990820239
Energy: 0.5112784765482384
Energy: 0.5074277323481353
Energy: 0.48512084693361684
Energy: 0.48690623020089135
Energy: 0.5073529078221812
Energy: 0.4755003257041896
Energy: 0.5169064912218819
Energy: 0.49107409155271486
Energy: 0.4838311815038423
Energy: 0.5153355402813651
Energy: 0.4885031022675586
Energy: 0.486959765311945
Energy: 0.48628767276663537
Energy: 0.4842014989994295
Energy: 0.4642342539975825
Energy: 0.4671720223971661
Energy: 0.47724464686426454
Energy: 0.5997372691176832
Energy: 0.45536705451806325
Energy: 0.4661559976917152
Energy: 0.6002706282642404
Energy: 0.45554093092884784
Energy: 0.4652242733516349
Energy: 0.4750345753543771
Energy: 0.468218182879903
Energy: 0.4666320357480503
Energy: 0.4754035473261129
Energy: 0.46726767525195523
Energy: 0.4786502547764424
Energy: 0.4772013652134667
Energy: 0.4667238711010085
Energy: 0.46635735368219583
Energy: 0.4624510670800834
Energy: 0.46832470562819056
Energy: 0.4665908299744777
Energy: 0.47659773505346376
Energy: 0.46657356220479457
Energy: 0.4663487741216254
Energy: 0.48811550282398025
Energy: 0.46809681324808905
Energy: 0.466493354866809
Energy: 0.47502471950997754
Energy: 0.46816248371032926
Energy: 0.46828961234986
Energy: 0.4756517398035643
Energy: 0.4673917958323953
Energy: 0.4618069140427162
Energy: 0.5122906486914479
Energy: 0.45272132893734435
Energy: 0.45296935753077716
Energy: 0.5061316395970298
Energy: 0.47107844427674145
Energy: 0.45403324955687147
Energy: 0.49005749205329
Energy: 0.4845680433205701
Energy: 0.4597055087087566
Energy: 0.4625715339632586
Energy: 0.4673984102604382
Energy: 0.460053328708398
Energy: 0.4766820311824244
Energy: 0.4661041983963186
Energy: 0.46631332143106935
Energy: 0.46743618256158687
Energy: 0.5180036958901398
Energy: 0.46657038581946864
Energy: 0.483200676921847
Energy: 0.5103730102570461
Energy: 0.5101154665968339
Energy: 0.4840481270725674
Energy: 0.4873130891835699
Energy: 0.5127933251550876
Energy: 0.6278393254186032
Energy: 0.5580936527290467
Energy: 0.5029189845363423
Energy: 0.4543729170170667
Energy: 0.5576128266448822
Energy: 0.5049258377022381
Energy: 0.5279502769605573
Energy: 0.4869519901355925
Energy: 0.5005690438916419
Energy: 0.5181827772720361
Energy: 0.5238419612406682
Energy: 0.5007924052913703
Energy: 0.5479548730272343
Energy: 0.4798180911940177
Energy: 0.4835857928529854
Energy: 0.5078870825366167
Energy: 0.4530936950694889
Energy: 0.506857836579595
Energy: 0.5634634587606022
Energy: 0.48197896184657774
Energy: 0.48141445681249556
Energy: 0.5223286931377534
Energy: 0.4747648710282828
Energy: 0.4808963413898064
Energy: 0.5568054782388704
Energy: 0.48504040480899635
Energy: 0.5030133656092858
Energy: 0.5208237088791552
Energy: 0.48817187075862595
Energy: 0.5155079753864052
Energy: 0.4881913649368014
Energy: 0.5474246984331015
Energy: 0.5100395019248498
Energy: 0.471681494462621
Energy: 0.5445072178693814
Energy: 0.45422107697061187
Energy: 0.5062002183943665
Energy: 0.47882740667433227
Energy: 0.4790277478120381
Energy: 0.49435916386794543
Energy: 0.47920341708664205
Energy: 0.5007526992520105
Energy: 0.5117177415940738
Energy: 0.5040053650295976
Energy: 0.5036427779864926
Energy: 0.5025351258586507
Energy: 0.5040081267452733
Energy: 0.5030930162760705
Energy: 0.5032812416925634
Energy: 0.504781780136703
Energy: 0.5098292153368756
Energy: 0.5006907586675208
Energy: 0.5147269031147763
Energy: 0.4748899678071184
Energy: 0.5049128384309259
Energy: 0.474450481306836
Energy: 0.5168039723630464
Energy: 0.5057415441627443
Energy: 0.45522889785860526
Energy: 0.4764580918301043
Energy: 0.5670185662783039
Energy: 0.4558731132460798
Energy: 0.45545290156993573
Energy: 0.5093671662943879
Energy: 0.4549165188943445
Energy: 0.5552982311593256
Energy: 0.4988115807492029
Energy: 0.4797913743678475
Energy: 0.49235996956365363
Energy: 0.4595290019196164
Energy: 0.49662330849431546
Energy: 0.47231479209271443
Energy: 0.46548693344262493
Energy: 0.5149829174698155
Energy: 0.4974884088225583
Energy: 0.4764011711898941
Energy: 0.516760308868512
Energy: 0.49631151074442076

minimum gb energy = 0.45272132893734435 eV
minimum distance =  2.64863217466799 Angstroms
sigma value = 43


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

Energy: 0.4469732699455422
Energy: 0.5538119556576827
Energy: 0.5132571106744374
Energy: 0.45995071172612956
Energy: 0.5821185396330963
Energy: 0.4598670708689747
Energy: 0.44107888782690463
Energy: 0.4541466924959315
Energy: 0.45202677259198704
Energy: 0.4499248994114537
Energy: 0.4451004559106171
Energy: 0.45010625882130834
Energy: 0.4538947095733681
Energy: 0.44080811438279033
Energy: 0.44104271779278154
Energy: 0.4515079524096254
Energy: 0.44026418224562375
Energy: 0.4501054268407353
Energy: 0.4497540410574943
Energy: 0.440162104376858
Energy: 0.45847911159702065
Energy: 0.45041479353825525
Energy: 0.46196216215822056
Energy: 0.4498646578905163
Energy: 0.45010465291516805
Energy: 0.46777300820494444
Energy: 0.47140125732851385
Energy: 0.45048737223642304
Energy: 0.4735335601772642
Energy: 0.4723012212955757
Energy: 0.4504557748748664
Energy: 0.4732225613247279
Energy: 0.4719992374618443
Energy: 0.4669085850866538
Energy: 0.4507080019722454
Energy: 0.46945505304293106
Energy: 0.44996031641457407
Energy: 0.4499206425129053
Energy: 0.45021978981811156
Energy: 0.46092817291839944
Energy: 0.4498477122132982
Energy: 0.4501198002826666
Energy: 0.4738358701629064
Energy: 0.451811464916476
Energy: 0.4518006537326998
Energy: 0.44331026734941603
Energy: 0.4517279836867904
Energy: 0.45067240337906184
Energy: 0.48602188471585167
Energy: 0.45025452012676154
Energy: 0.4503019376831786
Energy: 0.4859313790474801
Energy: 0.45006406732546367
Energy: 0.4497300298625108
Energy: 0.5833417628620163
Energy: 0.4511417806712816
Energy: 0.4829213612908027
Energy: 0.5126528672804016
Energy: 0.45072601331182177
Energy: 0.48360131104913834
Energy: 0.44217799738421826
Energy: 0.4414367829775387
Energy: 0.46447057599402053
Energy: 0.4634694064349432
Energy: 0.45329929579735667
Energy: 0.4469937231016064
Energy: 0.5256890942897506
Energy: 0.449794533608934
Energy: 0.44986769960342937
Energy: 0.4522408643190971
Energy: 0.45032235928626213
Energy: 0.44978432270249924
Energy: 0.4603320458490874
Energy: 0.4498368113604413
Energy: 0.45701356439346136
Energy: 0.4418645307775753
Energy: 0.48367816899853083
Energy: 0.4570341625186888
Energy: 0.4428703702434723
Energy: 0.4503789086910434
Energy: 0.47324541732176295
Energy: 0.44516745919454787
Energy: 0.4501507064847297
Energy: 0.4522538876474614
Energy: 0.4428249862994653
Energy: 0.4823571117367341
Energy: 0.45963381097671535
Energy: 0.4432269043831588
Energy: 0.4501881262583661
Energy: 0.4493592560553339
Energy: 0.4428692209812262
Energy: 0.45089174701139456
Energy: 0.4426186339113737
Energy: 0.4421962949984987
Energy: 0.46054419731053026
Energy: 0.4419604529193923
Energy: 0.44660019810364315
Energy: 0.4460250948546124
Energy: 0.446109695421582
Energy: 0.4465577320059114
Energy: 0.44187347325801446
Energy: 0.4462828146940565
Energy: 0.44522040069900126
Energy: 0.4430797408947173
Energy: 0.44208363558517333
Energy: 0.4427714878988377
Energy: 0.44268770569250926
Energy: 0.4424282696098841
Energy: 0.48509132324111176
Energy: 0.4430594398420111
Energy: 0.44331093615281136
Energy: 0.4832046408846516
Energy: 0.4436803988329708
Energy: 0.4492751040745161
Energy: 0.48622105181679504
Energy: 0.4438411389151774
Energy: 0.44373067720768783
Energy: 0.4526781944858746
Energy: 0.44434480885429734
Energy: 0.449442323422507
Energy: 0.4446651891417693
Energy: 0.4429266903706669
Energy: 0.46468517506682155
Energy: 0.45853085132413895
Energy: 0.440956518602081
Energy: 0.4422328545633235
Energy: 0.515815718011689
Energy: 0.4578041998381397
Energy: 0.4577021229229294
Energy: 0.5159953985718164
Energy: 0.4419842418844024
Energy: 0.45872791073021457
Energy: 0.5240775250455729
Energy: 0.44235388224366
Energy: 0.4423981528823511
Energy: 0.48844669792655204
Energy: 0.4423187789049604
Energy: 0.44247436357723935
Energy: 0.5094163937307604
Energy: 0.44535798786034325
Energy: 0.4452715697951246
Energy: 0.4412472726742341
Energy: 0.45021836807954396
Energy: 0.44536136019848543
Energy: 0.49503316041749573
Energy: 0.4426549554637726
Energy: 0.4424094420629173
Energy: 0.442880779334151
Energy: 0.4426341697570773
Energy: 0.44285193664938566
Energy: 0.49013462174385697
Energy: 0.442798960937815
Energy: 0.4507799114808342
Energy: 0.445768071859102
Energy: 0.443357899740437
Energy: 0.45147033883029075
Energy: 0.48818055774463337
Energy: 0.4505339610719957
Energy: 0.45073940097898785
Energy: 0.45027494565538895
Energy: 0.4542865473579343
Energy: 0.4592112510067272
Energy: 0.4896150130295917
Energy: 0.4523407327855065
Energy: 0.44966369704869114
Energy: 0.45070728259610604
Energy: 0.4577869690017372
Energy: 0.4497692541244942
Energy: 0.5122561549094744
Energy: 0.44983439389532004
Energy: 0.4498944281359594
Energy: 0.5122601085516687
Energy: 0.44224746562170875
Energy: 0.449934168373248
Energy: 0.45015338088490314
Energy: 0.45146090764839963
Energy: 0.46726503120537327
Energy: 0.4498961072069408
Energy: 0.4448701051120006
Energy: 0.44994286278186324
Energy: 0.4421444219032806
Energy: 0.49308668665949573
Energy: 0.5061463477192865
Energy: 0.457979943899687
Energy: 0.5018433210151501
Energy: 0.5048093626932864

minimum gb energy = 0.440162104376858 eV
minimum distance =  2.66596396490488 Angstroms
sigma value = 57


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

Energy: 0.5577550860101708
Energy: 0.47101113216510837
Energy: 0.4710829240681716
Energy: 0.43913751414516666
Energy: 0.4574814136772517
Energy: 0.47129081724469374
Energy: 0.41875896330630524
Energy: 0.4503432230524979
Energy: 0.4501764748259506
Energy: 0.4564881995613893
Energy: 0.4562629987487928
Energy: 0.43826722831221476
Energy: 0.47368702242195054
Energy: 0.41613094832609976
Energy: 0.416202834891592
Energy: 0.45670994133239184
Energy: 0.4164648189909786
Energy: 0.4164352966554071
Energy: 0.44817493814700743
Energy: 0.4159900457079649
Energy: 0.4161796616041154
Energy: 0.4490136953943081
Energy: 0.42664298332981504
Energy: 0.44945064260341555
Energy: 0.45135765771473396
Energy: 0.4475170462011993
Energy: 0.4453467988550253
Energy: 0.44972115263847456
Energy: 0.4523038837821484
Energy: 0.44600498463592037
Energy: 0.43882758131774896
Energy: 0.43444736019604424
Energy: 0.4340994012054123
Energy: 0.4358509527964238
Energy: 0.44372311368707085
Energy: 0.4339847720944751
Energy: 0.45726921418734023
Energy: 0.44932565486822484
Energy: 0.4497114856378351
Energy: 0.45505929018807784
Energy: 0.4491445158133675
Energy: 0.45221924435111543
Energy: 0.46754667759228186
Energy: 0.44663946303159163
Energy: 0.44447869066983836
Energy: 0.4438890535563319
Energy: 0.4481027372247475
Energy: 0.4485587506124728
Energy: 0.45537202462937615
Energy: 0.4495213280877089
Energy: 0.4651574771152366
Energy: 0.4556588609851008
Energy: 0.44984064980029775
Energy: 0.45810987223536687
Energy: 0.45742231120591575
Energy: 0.44634657076824236
Energy: 0.4462951919094273
Energy: 0.4580417174733757
Energy: 0.44566173498267403
Energy: 0.44619744798699873
Energy: 0.47882974584587906
Energy: 0.4423401193181979
Energy: 0.45812774507498616
Energy: 0.4585182490285131
Energy: 0.4466001215738241
Energy: 0.44889863372346583
Energy: 0.4159833025534635
Energy: 0.4497597733104629
Energy: 0.44895792563068987
Energy: 0.41732068662191374
Energy: 0.45972133405171306
Energy: 0.47312769019490647
Energy: 0.4183910794367503
Energy: 0.45281132645395333
Energy: 0.47334190462035797
Energy: 0.4425465784450201
Energy: 0.45906766057323245
Energy: 0.4733524071620174
Energy: 0.48020219525376234
Energy: 0.453128339736578
Energy: 0.4456598453573309
Energy: 0.4561828497970908
Energy: 0.4565741524642277
Energy: 0.4508190355845644
Energy: 0.4564876088851303
Energy: 0.4202054486538442
Energy: 0.41912402040651375
Energy: 0.4566142518731082
Energy: 0.4243486352031316
Energy: 0.4191443140784916
Energy: 0.4499047376453098
Energy: 0.4438357116901631
Energy: 0.4472252783796518
Energy: 0.448702569788628
Energy: 0.445037321046301
Energy: 0.4509861241673088
Energy: 0.45085144308013564
Energy: 0.4340944786816141
Energy: 0.44656311494322576
Energy: 0.44503014656418205
Energy: 0.43520687541065234
Energy: 0.45235941329849205
Energy: 0.4507398920228106
Energy: 0.44892663784765213
Energy: 0.43485966956200933
Energy: 0.44589975797235054
Energy: 0.44910035644379726
Energy: 0.43430533417850237
Energy: 0.45575241537074757
Energy: 0.4501692137365553
Energy: 0.4496359523704038
Energy: 0.46423523825043117
Energy: 0.4491879015594376
Energy: 0.4489357043478618
Energy: 0.4556964912419846
Energy: 0.45035214908894455
Energy: 0.46262752963021603
Energy: 0.4648533903378421
Energy: 0.449916344028926
Energy: 0.4502628979539724
Energy: 0.45671660748825227
Energy: 0.4541104134816269
Energy: 0.4722644291392698
Energy: 0.45699468919106473
Energy: 0.4532126801624108
Energy: 0.44664783468186764
Energy: 0.4533974373506171
Energy: 0.4476404527243836
Energy: 0.44845019006595693
Energy: 0.4535549156618159
Energy: 0.4474194258632336
Energy: 0.444119218042339
Energy: 0.48112377716475313
Energy: 0.4523717146330297
Energy: 0.4549927487953345
Energy: 0.4555916556079021
Energy: 0.4564601132589973
Energy: 0.46862052728605397
Energy: 0.4188812929537438
Energy: 0.45265596130655117
Energy: 0.4734263083996919
Energy: 0.44294388680154084
Energy: 0.4590970450921242
Energy: 0.4733859117156414

minimum gb energy = 0.4159833025534635 eV
minimum distance =  2.68634109254459 Angstroms
sigma value = 17


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

Energy: 0.40872049971091734
Energy: 0.5036152612031857
Energy: 0.4943274262672243
Energy: 0.44437451088413227
Energy: 0.5067224177337311
Energy: 0.432674281425882
Energy: 0.4322634504356033
Energy: 0.48803183903146674
Energy: 0.4887862060713767
Energy: 0.4894440766389076
Energy: 0.4898183498216893
Energy: 0.45659369820536805
Energy: 0.4755269962451228
Energy: 0.43231842653506686
Energy: 0.43277792012986493
Energy: 0.4754966711326859
Energy: 0.43266628319405565
Energy: 0.43290373853223807
Energy: 0.49097997379698466
Energy: 0.43258725277302085
Energy: 0.4323054625854908
Energy: 0.49183881558952297
Energy: 0.42675957377509643
Energy: 0.47497524723268403
Energy: 0.4252020447875007
Energy: 0.4335833080720811
Energy: 0.433588673667267
Energy: 0.4250395102318867
Energy: 0.4421935971632377
Energy: 0.43326485922503916
Energy: 0.4338263146674251
Energy: 0.419912496366037
Energy: 0.43483813995850507
Energy: 0.43000725303312076
Energy: 0.42590907729100774
Energy: 0.42660349873067094
Energy: 0.419569309729842
Energy: 0.4186720320603791
Energy: 0.4189030348566481
Energy: 0.4202396643861349
Energy: 0.4217795701362773
Energy: 0.4223476899989205
Energy: 0.4195079343301499
Energy: 0.426743851452949
Energy: 0.4267881130345308
Energy: 0.4267558050837998
Energy: 0.42658223960638975
Energy: 0.4231645437042723
Energy: 0.42076450419605216
Energy: 0.42603590938236763
Energy: 0.4211881924021399
Energy: 0.4218142174056056
Energy: 0.42664382353956837
Energy: 0.41881607115847164
Energy: 0.4242172007638977
Energy: 0.43992177311437997
Energy: 0.4349707082827075
Energy: 0.42413718584455573
Energy: 0.43921471801121453
Energy: 0.4353419622375024
Energy: 0.4984640584852868
Energy: 0.4339790374153581
Energy: 0.4335017632867605
Energy: 0.43372698722695363
Energy: 0.4251395133469057
Energy: 0.43350006414030506
Energy: 0.42412753015566296
Energy: 0.4884173350838485
Energy: 0.48846155203055136
Energy: 0.42411562626431587
Energy: 0.4913189780020336
Energy: 0.4883085100608811
Energy: 0.4243071567764238
Energy: 0.47507601328491955
Energy: 0.47679821141389295
Energy: 0.43358385405921424
Energy: 0.47522406544675994
Energy: 0.4901314995707515
Energy: 0.5606883892397909
Energy: 0.48903961964848613
Energy: 0.4516666095751341
Energy: 0.49008317568857324
Energy: 0.4893482166201921
Energy: 0.4513898680761826
Energy: 0.4912872214864167
Energy: 0.47150785016943536
Energy: 0.47110172749115486
Energy: 0.4747221498281543
Energy: 0.47194407635565844
Energy: 0.48563964418597677
Energy: 0.4696944340204822
Energy: 0.5028518498805786
Energy: 0.4532039861055705
Energy: 0.48914450925613157
Energy: 0.5023222291487499
Energy: 0.4881841222875983
Energy: 0.40390321057968986
Energy: 0.47840823667127985
Energy: 0.5432460580979922
Energy: 0.44378179204783774
Energy: 0.480608005596498
Energy: 0.5426941052558054

minimum gb energy = 0.40390321057968986 eV
minimum distance =  2.68978347179633 Angstroms
sigma value = 17


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

Energy: 0.3953608687408657
Energy: 0.5194209185053745
Energy: 0.4566085564384409
Energy: 0.4314468906958275
Energy: 0.615542000455023
Energy: 0.45721534566372163
Energy: 0.44258700339114415
Energy: 0.49482383496458193
Energy: 0.41847744865353165
Energy: 0.4965917883643862
Energy: 0.49179163616911614
Energy: 0.4514448525781559
Energy: 0.572007935579497
Energy: 0.40452461838881276
Energy: 0.4307362845968422
Energy: 0.49481354123919163
Energy: 0.40480160841865725
Energy: 0.44011272536337853
Energy: 0.49300447551540916
Energy: 0.43905766172602495
Energy: 0.4393204936840684
Energy: 0.4939580197231097
Energy: 0.40888185672614313
Energy: 0.43893942742610476
Energy: 0.42303365770427515
Energy: 0.41891457863375176
Energy: 0.41818371758867173
Energy: 0.4235091577776015
Energy: 0.4181116841044756
Energy: 0.41771517902007227
Energy: 0.37897164768131014
Energy: 0.4173600816729361
Energy: 0.4026122125801359
Energy: 0.4036624040394281
Energy: 0.4167657893606899
Energy: 0.4025696818618601
Energy: 0.38535841349030564
Energy: 0.42167906298546154
Energy: 0.4161675722040991
Energy: 0.39888500840683866
Energy: 0.41892407091912964
Energy: 0.4055316926796059
Energy: 0.3886947131951671
Energy: 0.3926302454203474
Energy: 0.3970178696380676
Energy: 0.40043866948327417
Energy: 0.39232132862721125
Energy: 0.39730934352690644
Energy: 0.3863014859472039
Energy: 0.39601331195519457
Energy: 0.38657090649771536
Energy: 0.38729275641853533
Energy: 0.39172433098215953
Energy: 0.38530085394352653
Energy: 0.38570380312810315
Energy: 0.39400576642191043
Energy: 0.39395479117204324
Energy: 0.3859353148934412
Energy: 0.39331048118868256
Energy: 0.3938498709192033
Energy: 0.41629998793868805
Energy: 0.3862274338884035
Energy: 0.39337358426155683
Energy: 0.3930231035720009
Energy: 0.38580797011558704
Energy: 0.393313410429866
Energy: 0.3877933674052542
Energy: 0.39218604645830807
Energy: 0.3853123390685622
Energy: 0.3936220025576639
Energy: 0.38954536027654413
Energy: 0.3969930791792738
Energy: 0.3942706345053476
Energy: 0.3961340936027472
Energy: 0.3982367538639661
Energy: 0.397157964809909
Energy: 0.3971492751950294
Energy: 0.3980178713867386
Energy: 0.41643165038211244
Energy: 0.39784843394521396
Energy: 0.3974503800323939
Energy: 0.4173920587423852
Energy: 0.4020549563419715
Energy: 0.41624309174468765
Energy: 0.41682254827591253
Energy: 0.4015197367208291
Energy: 0.4012775120144885
Energy: 0.41653675330290024
Energy: 0.398244383660543
Energy: 0.41949687577923456
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Energy: 0.42394621349188366
Energy: 0.42445270407434943
Energy: 0.4169336654817964
Energy: 0.4239313376813565
Energy: 0.42440018022629034
Energy: 0.3854966201552671
Energy: 0.4902071086651257
Energy: 0.4821097569863264
Energy: 0.3981312437721393
Energy: 0.4954769897906345
Energy: 0.4158942553404391
Energy: 0.38616462266643314
Energy: 0.4907454828686491
Energy: 0.4865117039927372
Energy: 0.3925956557575969
Energy: 0.4949433985968812
Energy: 0.42430823486510305
Energy: 0.5463390069697897
Energy: 0.4904991764504227
Energy: 0.45444840225608557
Energy: 0.49149452492402823
Energy: 0.4323216355944518
Energy: 0.42432779762649375
Energy: 0.5690431177406157
Energy: 0.42988088517255657
Energy: 0.4299474448569131
Energy: 0.5871075148251775
Energy: 0.4294119302666543
Energy: 0.45820277911117224
Energy: 0.5707954129211187
Energy: 0.4911281654988705
Energy: 0.41800097140107517
Energy: 0.49168327083196245
Energy: 0.4960087261045626
Energy: 0.4906231756285571
Energy: 0.3926540027493266
Energy: 0.48137001238631605
Energy: 0.5041362778523985
Energy: 0.4392230899375203
Energy: 0.49683591064650157
Energy: 0.4398516629350239
Energy: 0.39425053831865603
Energy: 0.4952871922886457
Energy: 0.49099043525113345
Energy: 0.40026983479418127
Energy: 0.4935671576432367
Energy: 0.4742731710315737
Energy: 0.5687519825308296
Energy: 0.433319731167584
Energy: 0.4177608668847888
Energy: 0.49161948892959667
Energy: 0.40052738463535215
Energy: 0.4905698393186682
Energy: 0.4995868089665218
Energy: 0.40895941294375604
Energy: 0.4306349534889025
Energy: 0.4911201724622654
Energy: 0.40842281274197345
Energy: 0.4406053703554121
Energy: 0.4242214260018874
Energy: 0.41834100479683656
Energy: 0.4240455969977977
Energy: 0.42440891097123856
Energy: 0.41957551127528114
Energy: 0.4237652765601714
Energy: 0.37845939357690384
Energy: 0.4281658640347126
Energy: 0.42507096605267464
Energy: 0.4039787453555748
Energy: 0.4282072095182368
Energy: 0.4025841908873068
Energy: 0.41579113022025826
Energy: 0.42110001326562635
Energy: 0.41548490218790174
Energy: 0.41605470541984285
Energy: 0.41818471623880765
Energy: 0.41559983269819945
Energy: 0.38800247414307293
Energy: 0.3972202962740189
Energy: 0.40011321601652916
Energy: 0.3962442635638955
Energy: 0.3926974986573838
Energy: 0.39951001049002555
Energy: 0.38545702424111145
Energy: 0.39231990925907717
Energy: 0.39786268297627964
Energy: 0.38552024744470614
Energy: 0.39210828766773986
Energy: 0.39834993993480383
Energy: 0.3894472702403976
Energy: 0.392535242485884
Energy: 0.39261899828960956
Energy: 0.390138279268328
Energy: 0.39157003960319003
Energy: 0.3903439764632149
Energy: 0.3952441253000602
Energy: 0.392256220567194
Energy: 0.392422629819497
Energy: 0.39228472247501917
Energy: 0.3922693489351317
Energy: 0.3927431380217858
Energy: 0.3916077207829847
Energy: 0.3902897549018125
Energy: 0.3849259791589911
Energy: 0.3922057489493888
Energy: 0.38677944871823267
Energy: 0.38505836363998225
Energy: 0.3869109905759418
Energy: 0.4081320799143437
Energy: 0.3972064861734101
Energy: 0.3964345157229579
Energy: 0.3976012744761613
Energy: 0.397387192432122
Energy: 0.4213538301311541
Energy: 0.3964381220133054
Energy: 0.39694772998293454
Energy: 0.42209458680097595
Energy: 0.39594859667634075
Energy: 0.3978813209141095
Energy: 0.4219646666020154
Energy: 0.3981524498882011
Energy: 0.42447146962473853
Energy: 0.42287254476005215
Energy: 0.3979677434234828
Energy: 0.41711783300004013
Energy: 0.5328787727513266
Energy: 0.41652709982603536
Energy: 0.41772597643943593
Energy: 0.41929282887309854
Energy: 0.3956400477388454
Energy: 0.42499170876926307
Energy: 0.3900215221646883
Energy: 0.49478429563128173
Energy: 0.4249045380080981
Energy: 0.4322655867018442
Energy: 0.49151069015095744
Energy: 0.4245975149920557
Energy: 0.38597660015943697
Energy: 0.4601410038925224
Energy: 0.42954258071452556
Energy: 0.41998159367766424
Energy: 0.48320128133170737
Energy: 0.4292640303703897
Energy: 0.48135070502140775
Energy: 0.4957282471390191
Energy: 0.49070950211219366
Energy: 0.4243119353391831
Energy: 0.4927469677818388
Energy: 0.4529654309143752
Energy: 0.548912310906062
Energy: 0.4255851657599042
Energy: 0.4614301477938838
Energy: 0.4910520371703807
Energy: 0.42277030474984767
Energy: 0.4796137848495097
Energy: 0.5698964322813704
Energy: 0.45737441531035694
Energy: 0.4189601032943761
Energy: 0.4919293704437942
Energy: 0.42347572645241627
Energy: 0.4907506324855376
Energy: 0.3955093523792641
Energy: 0.4950475912428827
Energy: 0.48716798112643045
Energy: 0.3976971663645939
Energy: 0.49271649135069423
Energy: 0.4741089602889215

minimum gb energy = 0.37845939357690384 eV
minimum distance =  2.67622651687751 Angstroms
sigma value = 57


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

Energy: 0.36384686740518457
Energy: 0.4682604854881964
Energy: 0.43989299444905133
Energy: 0.3845161869659704
Energy: 0.5780833542819753
Energy: 0.43660480608795615
Energy: 0.5272972372339564
Energy: 0.4140101676814656
Energy: 0.4014245566761175
Energy: 0.48659616516259563
Energy: 0.480770598569606
Energy: 0.39835652302351154
Energy: 0.5508932975606345
Energy: 0.38342011323752967
Energy: 0.38355134936292024
Energy: 0.48605998346806684
Energy: 0.3834914143784129
Energy: 0.4268649171506499
Energy: 0.4818367592934606
Energy: 0.3844424880534971
Energy: 0.4286376634874543
Energy: 0.48240192600107257
Energy: 0.4120571984578717
Energy: 0.4453727504871973
Energy: 0.40787629790465907
Energy: 0.421597460381909
Energy: 0.4007354868364022
Energy: 0.4058243184398401
Energy: 0.41322871853274745
Energy: 0.40299919848120647
Energy: 0.35463953838225754
Energy: 0.41173613968088923
Energy: 0.3829442751409156
Energy: 0.3708251053701204
Energy: 0.4116119166846389
Energy: 0.38351500716926695
Energy: 0.47180054315025044
Energy: 0.41687981106127037
Energy: 0.41959781186603146
Energy: 0.38145191851410015
Energy: 0.414265046422352
Energy: 0.3750055766482479
Energy: 0.48900561774306284
Energy: 0.3661264706947984
Energy: 0.36674568224612836
Energy: 0.3819542860026797
Energy: 0.36591468944844946
Energy: 0.37425652952015664
Energy: 0.377126771576614
Energy: 0.38257293337102927
Energy: 0.3749406945062734
Energy: 0.3778379415495351
Energy: 0.3794107868639449
Energy: 0.3743113771736249
Energy: 0.38509449272816587
Energy: 0.36443913651417065
Energy: 0.36441602508920234
Energy: 0.38523514920847607
Energy: 0.3644995498454275
Energy: 0.3641190232210016
Energy: 0.36206609098449555
Energy: 0.3585179983595837
Energy: 0.36886242026645405
Energy: 0.36136532662216797
Energy: 0.3679236051546107
Energy: 0.3663931268865128
Energy: 0.37786472876765576
Energy: 0.3645164552249481
Energy: 0.3672300223574251
Energy: 0.36701146933583245
Energy: 0.36156892686223896
Energy: 0.3653246956877061
Energy: 0.35901723177898553
Energy: 0.3668648532474704
Energy: 0.36648771518130135
Energy: 0.36625755048632885
Energy: 0.3691926569055024
Energy: 0.3660122693693339
Energy: 0.35940325703654347
Energy: 0.3630813291252539
Energy: 0.35858827143063565
Energy: 0.36056194914588907
Energy: 0.3711842428035588
Energy: 0.3685672138185486
Energy: 0.35850238782725596
Energy: 0.3677848889170193
Energy: 0.3664374030724306
Energy: 0.35846073539565554
Energy: 0.36729441739164365
Energy: 0.3624393928692303
Energy: 0.4446692107055043
Energy: 0.38333545682325104
Energy: 0.3661932362730333
Energy: 0.36701929282542933
Energy: 0.382576665129805
Energy: 0.36607859072349863
Energy: 0.35934109120196056
Energy: 0.3823861911927351
Energy: 0.37476654563152884
Energy: 0.386086065969541
Energy: 0.3802828376178338
Energy: 0.382654322537658
Energy: 0.36050754470541657
Energy: 0.3796901010353638
Energy: 0.37996862990662955
Energy: 0.361040091112856
Energy: 0.3827877407809837
Energy: 0.3786945810607968
Energy: 0.4115046347287607
Energy: 0.38248207797960837
Energy: 0.40031534609608294
Energy: 0.4124006320502166
Energy: 0.3868999089513457
Energy: 0.4201951510581938
Energy: 0.5158114188876465
Energy: 0.3847002011926829
Energy: 0.38503867055098795
Energy: 0.4149921890687315
Energy: 0.38371204290637934
Energy: 0.40130799240724496
Energy: 0.5190658737602348
Energy: 0.41140166055289684
Energy: 0.4121393595086357
Energy: 0.413137825168131
Energy: 0.4156737038180949
Energy: 0.3991603203037819
Energy: 0.35892841491524735
Energy: 0.45424932556455394
Energy: 0.4114022695539897
Energy: 0.37655735988429456
Energy: 0.48649044167933436
Energy: 0.40094156292481187
Energy: 0.42001404775584567
Energy: 0.48420967559283495
Energy: 0.47264209984533795
Energy: 0.3848823540030518
Energy: 0.48223818029855725
Energy: 0.4493369048062877
Energy: 0.525651968402554
Energy: 0.41142331381856895
Energy: 0.4047960409908475
Energy: 0.4389905809538505
Energy: 0.4123773409472803
Energy: 0.40185075850193225
Energy: 0.5610084068943831
Energy: 0.4032345767301297
Energy: 0.40402166859036365
Energy: 0.4559940130783911
Energy: 0.40221650119519103
Energy: 0.45804666088601637
Energy: 0.5547318107133151
Energy: 0.4429152405961661
Energy: 0.4431011152323976
Energy: 0.4835183924303099
Energy: 0.4833958012493348
Energy: 0.40011428415712524
Energy: 0.40894199691466376
Energy: 0.4555995813016222
Energy: 0.4379032082724996
Energy: 0.38660187014214115
Energy: 0.47177253323630064
Energy: 0.4209835957328115

minimum gb energy = 0.35463953838225754 eV
minimum distance =  2.68218974233879 Angstroms
sigma value = 43


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

Energy: 0.31603901558537806
Energy: 0.3888871410591772
Energy: 0.4005231257726866
Energy: 0.33339003644913423
Energy: 0.42165823786842893
Energy: 0.3366475156553688
Energy: 0.46153071762083886
Energy: 0.3357438431126674
Energy: 0.33657388704574
Energy: 0.3691475951137594
Energy: 0.37603767890147627
Energy: 0.3308927508080061
Energy: 0.47997860342916054
Energy: 0.3217409273992135
Energy: 0.33283574305740554
Energy: 0.3997966797381927
Energy: 0.3213506005000971
Energy: 0.3327949636675042
Energy: 0.41446152513162926
Energy: 0.33264368752322954
Energy: 0.3449683409249961
Energy: 0.3635447522201864
Energy: 0.3402083151835444
Energy: 0.3756144448791003
Energy: 0.3941626568572355
Energy: 0.3416917424315714
Energy: 0.33568555507586756
Energy: 0.356088582555293
Energy: 0.3768989430980886
Energy: 0.3366945342916871
Energy: 0.30527662908770065
Energy: 0.37247365546152794
Energy: 0.325682426467634
Energy: 0.31188521677009556
Energy: 0.37216302663811873
Energy: 0.3247942758097346
Energy: 0.4152193470160379
Energy: 0.37254725066234895
Energy: 0.37234590364240266
Energy: 0.31861726006513186
Energy: 0.3764163947820513
Energy: 0.31644166596636086
Energy: 0.43285091235729267
Energy: 0.3075092047147301
Energy: 0.3129062311995743
Energy: 0.33408687843109514
Energy: 0.3074980703587724
Energy: 0.312903408731953
Energy: 0.3413131406954052
Energy: 0.3122917556610998
Energy: 0.33985094691938866
Energy: 0.342304263569382
Energy: 0.3125506477432087
Energy: 0.3397881461454244
Energy: 0.3402908592156257
Energy: 0.3074793590454497
Energy: 0.3075495933191218
Energy: 0.3401738975019908
Energy: 0.307277934385127
Energy: 0.30705257936713526
Energy: 0.3018426304785931
Energy: 0.32007092447339464
Energy: 0.30496976202956655
Energy: 0.3046040451597259
Energy: 0.3199343474746186
Energy: 0.3041461029885291
Energy: 0.34307676504051565
Energy: 0.32010891777612216
Energy: 0.31990108888199514
Energy: 0.3039920421348505
Energy: 0.32395738527804413
Energy: 0.30344708252078295
Energy: 0.4113617694846749
Energy: 0.31721070682888564
Energy: 0.31864726109696345
Energy: 0.32531083950232437
Energy: 0.30230179604914864
Energy: 0.3252622412397167
Energy: 0.30846974889734097
Energy: 0.30916388774387216
Energy: 0.3083337673161235
Energy: 0.3094893662503704
Energy: 0.30329617934484526
Energy: 0.3083724678663848
Energy: 0.30839618713058753
Energy: 0.2992210463756597
Energy: 0.300131380774481
Energy: 0.30826990315478187
Energy: 0.2991821358394299
Energy: 0.2998496995858978
Energy: 0.3047153577469127
Energy: 0.30307324939894686
Energy: 0.30367501780557776
Energy: 0.2977890118047826
Energy: 0.3029476870363423
Energy: 0.2985767085992462
Energy: 0.31010312568213083
Energy: 0.3029819992615899
Energy: 0.3031766044617341
Energy: 0.2994471821347174
Energy: 0.3029695133681699
Energy: 0.3009937012490677
Energy: 0.30285264284043706
Energy: 0.300441293999607
Energy: 0.3003488721743393
Energy: 0.30314465044009664
Energy: 0.3008561462232768
Energy: 0.30012920197437537
Energy: 0.30279803244693876
Energy: 0.3059575943360121
Energy: 0.30317596480568304
Energy: 0.30392298028054354
Energy: 0.3378006350204733
Energy: 0.30296475283073315
Energy: 0.3035442963665349
Energy: 0.30328482884611496
Energy: 0.303119778510874
Energy: 0.3612669891500264
Energy: 0.304067423246297
Energy: 0.3032707647147179
Energy: 0.3217869905963734
Energy: 0.30843256019783105
Energy: 0.3083138478094312
Energy: 0.3048931331865555
Energy: 0.30835071240107476
Energy: 0.3038290694659237
Energy: 0.30581837783526655
Energy: 0.30831787493955387
Energy: 0.3086846251074645
Energy: 0.30029257563215184
Energy: 0.30846672054355523
Energy: 0.30060900925501877
Energy: 0.3200385339274442
Energy: 0.30156111649531514
Energy: 0.3017896757353799
Energy: 0.3198877290486555
Energy: 0.30150009402645933
Energy: 0.30134191578273833
Energy: 0.3202776516490594
Energy: 0.3176116272723175
Energy: 0.31970231178042474
Energy: 0.32124067760630926
Energy: 0.3137645789575145
Energy: 0.319913480365763
Energy: 0.42057045956454686
Energy: 0.320831348372315
Energy: 0.3066155317422447
Energy: 0.3454590817625592
Energy: 0.304640901118518
Energy: 0.3251585669003216
Energy: 0.3900753553548368
Energy: 0.3399691084252286
Energy: 0.3399566598870529
Energy: 0.30672934152198406
Energy: 0.34025302846411104
Energy: 0.30541483122513635
Energy: 0.30353417308935365
Energy: 0.33979655921344437
Energy: 0.3172387384374237
Energy: 0.3077996960169822
Energy: 0.3397908730947479
Energy: 0.3105686880510073
Energy: 0.33788343419457795
Energy: 0.3179349837244339
Energy: 0.31848259871434736
Energy: 0.3739841814157843
Energy: 0.33493060693693705
Energy: 0.3165536372924729
Energy: 0.37352325283006504
Energy: 0.32236849406907425
Energy: 0.3720875296546146
Energy: 0.37452839890486084
Energy: 0.3161790192879455
Energy: 0.37191669114914955
Energy: 0.451033054183749
Energy: 0.31471483513205106
Energy: 0.3225727751302966
Energy: 0.3629177651606365
Energy: 0.3146588850131915
Energy: 0.32233802111983934
Energy: 0.4492793715917136
Energy: 0.36154451676570937
Energy: 0.3601077144841125
Energy: 0.3379731798952344
Energy: 0.36165936492448686
Energy: 0.35977380412621873
Energy: 0.343523810003335
Energy: 0.3925786160555226
Energy: 0.36238997459215194
Energy: 0.32078229185779605
Energy: 0.39850606665835625
Energy: 0.33650196351809913
Energy: 0.4138244831041266
Energy: 0.3706604040091458
Energy: 0.3670996496544214
Energy: 0.37273927382938615
Energy: 0.3700260124505557
Energy: 0.36351940184144377
Energy: 0.4488046848693066
Energy: 0.34449544848257824
Energy: 0.35620019134266734
Energy: 0.36361331365187544
Energy: 0.3583099110016563
Energy: 0.39050335192888874
Energy: 0.48044290653261124
Energy: 0.33378092243494195
Energy: 0.34630248464171387
Energy: 0.400164503744443
Energy: 0.3333560899572177
Energy: 0.36716884498425967
Energy: 0.43893717652214453
Energy: 0.37072843933203936
Energy: 0.3668395840248176
Energy: 0.3689611552425637
Energy: 0.3700648994467827
Energy: 0.33375989280716156

minimum gb energy = 0.2977890118047826 eV
minimum distance =  2.68191376310129 Angstroms
sigma value = 81


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

Energy: 0.014544220957300773
Energy: 0.037044616915132375
Energy: 0.015067870331437904
Energy: 0.016135944944672773
Energy: 0.01573412715011215
Energy: 0.015039767418875737
Energy: 0.03733444407117687
Energy: 0.015302485894141153
Energy: 0.015285307184519719
Energy: 0.037475008892853795
Energy: 0.017785635732205037
Energy: 0.015605622817861804
Energy: 0.03626042369287465
Energy: 0.015038910194853925
Energy: 0.015204779963269667
Energy: 0.03654810633614752
Energy: 0.014958142657250897
Energy: 0.03663390811123707
Energy: 0.01744418455569068
Energy: 0.015042753348394135
Energy: 0.015328569360201817
Energy: 0.017409527395416412
Energy: 0.015075175042862921
Energy: 0.03693550509251396
Energy: 0.03658663990153937
Energy: 0.03633529749425502
Energy: 0.036402807503000234
Energy: 0.037211413920096706
Energy: 0.03624086260781589
Energy: 0.03640982054427522
Energy: 0.015326760412807165
Energy: 0.01542424932874172
Energy: 0.015014800862250453
Energy: 0.016275328148123262
Energy: 0.015256774676745924
Energy: 0.015049754841311248
Energy: 0.03767410545059469
Energy: 0.015232831427434777
Energy: 0.015547503110877674
Energy: 0.036259832644337166
Energy: 0.015217536711189382
Energy: 0.015512663731109313
Energy: 0.03623655329118171
Energy: 0.014963938330962712
Energy: 0.015087556188068646
Energy: 0.036534273387565666
Energy: 0.014987472375930571
Energy: 0.03800866424700448
Energy: 0.01577485167370739
Energy: 0.015166481201480222
Energy: 0.03814617490000254
Energy: 0.01730080408821906
Energy: 0.015017175289051346
Energy: 0.03779661667076964
Energy: 0.014800755009617934
Energy: 0.03626793697299142
Energy: 0.03648127509330239
Energy: 0.015345410966748985
Energy: 0.03636140292739246
Energy: 0.036349256298154026

minimum gb energy = 0.014544220957300773 eV
minimum distance =  2.84221031805866 Angstroms
sigma value = 3


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

Energy: 0.3897323003294505
Energy: 0.4027564334266371
Energy: 0.4101527605359733
Energy: 0.35798983857217354
Energy: 0.3814124087503241
Energy: 0.3386437366743376
Energy: 0.39991335860442356
Energy: 0.36575649520116255
Energy: 0.36322129115938745
Energy: 0.36468931873181687
Energy: 0.3659130945763683
Energy: 0.3477033738029621
Energy: 0.39961295360582505
Energy: 0.35990949194368294
Energy: 0.32162603041683024
Energy: 0.3892656319773342
Energy: 0.3240848420019135
Energy: 0.38824914207298294
Energy: 0.36560110792191297
Energy: 0.3254323724717428
Energy: 0.32583042031404846
Energy: 0.3654672142327244
Energy: 0.32380777460920995
Energy: 0.3730714910611709
Energy: 0.3308041017363735
Energy: 0.3664769270417117
Energy: 0.3506983364558919
Energy: 0.33082083010737384
Energy: 0.36584787720916295
Energy: 0.3644972232747735
Energy: 0.3073537187743572
Energy: 0.34999774772836423
Energy: 0.3563524463690897
Energy: 0.30587434121559665
Energy: 0.3476582155606337
Energy: 0.3234361244570746
Energy: 0.3744493417253493
Energy: 0.3365709158118884
Energy: 0.3361739796878902
Energy: 0.3740811941970765
Energy: 0.3396781795983389
Energy: 0.3756887849691975
Energy: 0.36263787427773553
Energy: 0.30903719513644684
Energy: 0.3322293224801754
Energy: 0.36257934989592405
Energy: 0.29118502127975726
Energy: 0.33124204309149446
Energy: 0.31147430330288417
Energy: 0.3600713359790695
Energy: 0.37893846717956287
Energy: 0.3792324253878204
Energy: 0.3083722454257756
Energy: 0.3786843022835389
Energy: 0.3121981885736874
Energy: 0.3378623658587769
Energy: 0.3370481316515105
Energy: 0.3124560429626946
Energy: 0.3381658458511709
Energy: 0.3363311051407861
Energy: 0.29451641969462544
Energy: 0.33836187953789104
Energy: 0.33767694551846156
Energy: 0.2966971379766718
Energy: 0.29933774106274535
Energy: 0.336107259174546
Energy: 0.3148001821747031
Energy: 0.37025219174425633
Energy: 0.3710604039616759
Energy: 0.31504650226441727
Energy: 0.3072283048642477
Energy: 0.31176787124770283
Energy: 0.32269247488256897
Energy: 0.31700423694813734
Energy: 0.35259539758808434
Energy: 0.3141151302038158
Energy: 0.28877980614793053
Energy: 0.3185586361040747
Energy: 0.2888941658911309
Energy: 0.3315752523915606
Energy: 0.35433116622194843
Energy: 0.31438846581659646
Energy: 0.2954527095674107
Energy: 0.35471634819360714
Energy: 0.31360656221602784
Energy: 0.29618327466218763
Energy: 0.2954775767324922
Energy: 0.2874539834058072
Energy: 0.3004879328989688
Energy: 0.29544068397293194
Energy: 0.2877994072279614
Energy: 0.3436890862414989
Energy: 0.3442761948092834
Energy: 0.289632328377129
Energy: 0.35175266385362347
Energy: 0.34435777668177614
Energy: 0.2895311587115432
Energy: 0.34551108415216586
Energy: 0.31724907490139215
Energy: 0.28999686224855226
Energy: 0.2971852416367844
Energy: 0.2866314180364846
Energy: 0.2871092093934669
Energy: 0.339373493222521
Energy: 0.3420847167449269
Energy: 0.2872307418667413
Energy: 0.28835473064545714
Energy: 0.28948130472556804
Energy: 0.32506161045194126
Energy: 0.2882894377748101
Energy: 0.33590961481651055
Energy: 0.28933934693142666
Energy: 0.2880121963824949
Energy: 0.34582788874458376
Energy: 0.3518995318751379
Energy: 0.28746149033693513
Energy: 0.2864498913818508
Energy: 0.3518241177911509
Energy: 0.29015556349823457
Energy: 0.2865403152316215
Energy: 0.3499385242678046
Energy: 0.34434256936039337
Energy: 0.34474482308887155
Energy: 0.29674984080266126
Energy: 0.3442321012410385
Energy: 0.3442764744191566
Energy: 0.3001461389665109
Energy: 0.34443229740938563
Energy: 0.2979857290604419
Energy: 0.30080014690667856
Energy: 0.34330940361515144
Energy: 0.2966038665855001
Energy: 0.2948789778974897
Energy: 0.3560484244351172
Energy: 0.3563774595415347
Energy: 0.2948386750924808
Energy: 0.35689853916112546
Energy: 0.356583350549702
Energy: 0.2906028526397358
Energy: 0.3179764658691487
Energy: 0.31960019155260155
Energy: 0.2903128032311
Energy: 0.3158332327559791
Energy: 0.34401261675377176
Energy: 0.29638018985535153
Energy: 0.3136579730200925
Energy: 0.31195149801606975
Energy: 0.29592893280700483
Energy: 0.31448092864654176
Energy: 0.311612566198972
Energy: 0.2962034765117911
Energy: 0.3022179466536666
Energy: 0.35651810972258885
Energy: 0.2963627027644618
Energy: 0.3203879589590724
Energy: 0.3674549838367627
Energy: 0.33791019126371635
Energy: 0.35615593398230294
Energy: 0.3400649933082806
Energy: 0.3377047294181828
Energy: 0.30127816843612104
Energy: 0.3365810304432558
Energy: 0.3204877421274616
Energy: 0.3502130277101304
Energy: 0.3478041291523695
Energy: 0.3205712163810053
Energy: 0.3505137076747081
Energy: 0.3474316272817479
Energy: 0.30325489202091904
Energy: 0.36377584468847296
Energy: 0.3490830860520782
Energy: 0.3030166255537166
Energy: 0.3631440757693861
Energy: 0.3175974177675565
Energy: 0.3404761696994216
Energy: 0.35088046930888744
Energy: 0.3648887977508549
Energy: 0.34031996274168747
Energy: 0.3890056119051194
Energy: 0.3507862730836208
Energy: 0.3333583110156124
Energy: 0.31740452938015884
Energy: 0.33988903747775295
Energy: 0.3348522540176756
Energy: 0.295052533474383
Energy: 0.3408087112949367
Energy: 0.3988726498027122
Energy: 0.36673088339630616
Energy: 0.3245470652233336
Energy: 0.365568719595473
Energy: 0.3161207087136511
Energy: 0.367678255978157
Energy: 0.3401004095310018
Energy: 0.3657847511347004
Energy: 0.3633317536730395
Energy: 0.33991723587284295
Energy: 0.36627993174468976
Energy: 0.34789890320065603

minimum gb energy = 0.2864498913818508 eV
minimum distance =  2.67392143880744 Angstroms
sigma value = 67


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

Energy: 0.41946158301101466
Energy: 0.46964672059560564
Energy: 0.4504202829807249
Energy: 0.3707246340302875
Energy: 0.47991389710215393
Energy: 0.4603389204712965
Energy: 0.44120144221165336
Energy: 0.425875496252739
Energy: 0.4269501770553591
Energy: 0.42526205670197603
Energy: 0.4249539824029651
Energy: 0.3920603316105096
Energy: 0.4677672928405807
Energy: 0.3897391312787718
Energy: 0.3897324870859271
Energy: 0.45867964306228254
Energy: 0.38714009521268916
Energy: 0.42386286608089774
Energy: 0.42883734860819
Energy: 0.43824397842258744
Energy: 0.3885644399178203
Energy: 0.42934395936464564
Energy: 0.4045090098419377
Energy: 0.38905294778480676
Energy: 0.42411855848729674
Energy: 0.4260542162721315
Energy: 0.4165140875979765
Energy: 0.4243011999770748
Energy: 0.4264533878377751
Energy: 0.415292260171607
Energy: 0.36309150208102636
Energy: 0.41818603559483036
Energy: 0.42667929043406805
Energy: 0.3883462510556593
Energy: 0.41795034273349435
Energy: 0.42652124939536
Energy: 0.4288426447680884
Energy: 0.3911207957758439
Energy: 0.39070051284726753
Energy: 0.42796892572042877
Energy: 0.3902280278604319
Energy: 0.3888327923289794
Energy: 0.43201055673570604
Energy: 0.36537637136018203
Energy: 0.40503462860459405
Energy: 0.43260952154368315
Energy: 0.3628449243685792
Energy: 0.42733795744323216
Energy: 0.3668267774824566
Energy: 0.40853940214617207
Energy: 0.4062484628444024
Energy: 0.3902940971226442
Energy: 0.3859550442569997
Energy: 0.4626638725171914
Energy: 0.3620616987731581
Energy: 0.3910327504197533
Energy: 0.39371312582763757
Energy: 0.3619130569475297
Energy: 0.38812627029490554
Energy: 0.3862824648733722
Energy: 0.36300109213960824
Energy: 0.3919176471436487
Energy: 0.3893038445490294
Energy: 0.3631055683958401
Energy: 0.3798539425687541
Energy: 0.44039589214179053
Energy: 0.3654203513349114
Energy: 0.4335258402066231
Energy: 0.4356098791488014
Energy: 0.3661587254379155
Energy: 0.4052426838088077
Energy: 0.36143000437949413
Energy: 0.3659201651052784
Energy: 0.36730282806101405
Energy: 0.4041598258081819
Energy: 0.3667083088002216
Energy: 0.3637529141840304
Energy: 0.36143784346042296
Energy: 0.3803634928121316
Energy: 0.37143500778756927
Energy: 0.40312087438562066
Energy: 0.36288705144732986
Energy: 0.36381731319388333
Energy: 0.4294608038818053
Energy: 0.4015923187202159
Energy: 0.36562195124988217
Energy: 0.3687124782891246
Energy: 0.40084207427103336
Energy: 0.3624839100770233
Energy: 0.3613315415880489
Energy: 0.39698889030488815
Energy: 0.4039031886684588
Energy: 0.43576881987826555
Energy: 0.38807866186676393
Energy: 0.361973577580579
Energy: 0.4340735447530081
Energy: 0.38909810873194844
Energy: 0.35959076082352154
Energy: 0.40462711399440815
Energy: 0.3898123993248833
Energy: 0.35657865159613744
Energy: 0.38700376403901315
Energy: 0.3920736388943514
Energy: 0.40645816217359415
Energy: 0.40735043146164457
Energy: 0.39287634534907095
Energy: 0.40592580649324456
Energy: 0.38641228139763406
Energy: 0.3548636502451909
Energy: 0.3655877586369809
Energy: 0.408357378553343
Energy: 0.3695172547011757
Energy: 0.4048849628545662
Energy: 0.40821186155711203
Energy: 0.38631293195000127
Energy: 0.43203963153918423
Energy: 0.39097572222817434
Energy: 0.3866024941168885
Energy: 0.42925923451494097
Energy: 0.39156776093170303
Energy: 0.39254521461404607
Energy: 0.40883496091191673
Energy: 0.37437638893855196
Energy: 0.3920981160425129
Energy: 0.3710792256451729
Energy: 0.37356501434026496
Energy: 0.46740104702013724
Energy: 0.3722062880984068
Energy: 0.3717479439987266
Energy: 0.4614217408088405
Energy: 0.36974099837044405
Energy: 0.41231733053292435
Energy: 0.45701621543200166
Energy: 0.43217187807784146
Energy: 0.4314465253458881
Energy: 0.45698376542877794
Energy: 0.4299964999326964
Energy: 0.3907950270053606

minimum gb energy = 0.3548636502451909 eV
minimum distance =  2.67070114549248 Angstroms
sigma value = 33


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

Energy: 0.4907420919086153
Energy: 0.47629118131068227
Energy: 0.47651399981493964
Energy: 0.42024834504450986
Energy: 0.4566673585491628
Energy: 0.5003671858058957
Energy: 0.49022869338992825
Energy: 0.4574371453609612
Energy: 0.4598886316900382
Energy: 0.4577972386388602
Energy: 0.45856805652213634
Energy: 0.41381035013832373
Energy: 0.5284591424847463
Energy: 0.45342902147065883
Energy: 0.42924631361804727
Energy: 0.5414830510738884
Energy: 0.4560417542166102
Energy: 0.457987071243339
Energy: 0.4567187283483715
Energy: 0.4536019337213637
Energy: 0.4299208195962104
Energy: 0.45751801430367944
Energy: 0.43401743849753055
Energy: 0.4128668733571015
Energy: 0.4553233407492911
Energy: 0.45712415521247474
Energy: 0.41296816165327543
Energy: 0.4552136339381992
Energy: 0.45763098040118066
Energy: 0.41445071049243476
Energy: 0.40499324110142304
Energy: 0.4059622262832401
Energy: 0.4071843635801122
Energy: 0.4072657570832008
Energy: 0.4059878127470107
Energy: 0.4564560525554935
Energy: 0.45589277226364755
Energy: 0.40774719880133703
Energy: 0.4063182294550348
Energy: 0.45605861156538374
Energy: 0.4080696346546905
Energy: 0.4120311715477074
Energy: 0.45901817961615266
Energy: 0.40541154791496825
Energy: 0.43029933381614105
Energy: 0.4598161189297197
Energy: 0.40777473561832395
Energy: 0.45647261080488616
Energy: 0.40669120612515053
Energy: 0.456114277310509
Energy: 0.41299273820069077
Energy: 0.41310190743392083
Energy: 0.40572116415093074
Energy: 0.4121425109992295
Energy: 0.4059467625528143
Energy: 0.4103232946333789
Energy: 0.40556930544532666
Energy: 0.40776939862532424
Energy: 0.40704902862695885
Energy: 0.4058618036918317
Energy: 0.4332397161028276
Energy: 0.456323221693355
Energy: 0.40605847079238755
Energy: 0.40775331605280196
Energy: 0.4062360026676481
Energy: 0.478526505553791
Energy: 0.40520034830752893
Energy: 0.43833163995545377
Energy: 0.40566010503583566
Energy: 0.40529467367182076
Energy: 0.41787243218423475
Energy: 0.4055717760401518
Energy: 0.40527085949682634
Energy: 0.41306000625238065
Energy: 0.4059410969607868
Energy: 0.40541715218193836
Energy: 0.4127186279349494
Energy: 0.4054989005493421
Energy: 0.3917081505154433
Energy: 0.41138070605084215
Energy: 0.4128846937889932
Energy: 0.39402099979060196
Energy: 0.43584405101018514
Energy: 0.4183742915454532
Energy: 0.39198620793867334
Energy: 0.45966683464201374
Energy: 0.4565431265133721
Energy: 0.392244361005167
Energy: 0.4581187070062002
Energy: 0.4126385573705376
Energy: 0.4130036127228609
Energy: 0.4205624980642108
Energy: 0.425797092971379
Energy: 0.4137803260933098
Energy: 0.41748226354918194
Energy: 0.41279937555598745
Energy: 0.5284555652106725
Energy: 0.41742825472459155
Energy: 0.41840810485047314
Energy: 0.5285240541586068
Energy: 0.41947741348050854
Energy: 0.446179366107626
Energy: 0.5312180693552968
Energy: 0.45552765254113037
Energy: 0.45548576576966276
Energy: 0.45807381762120053
Energy: 0.4556061039406188
Energy: 0.40731967269770686
Energy: 0.4165599380412269
Energy: 0.46230698217569083
Energy: 0.41791550626536433
Energy: 0.4198554022880114
Energy: 0.4615385332439326
Energy: 0.4447573670843182
Energy: 0.4900384554276127
Energy: 0.4568932283663123
Energy: 0.4583247222916988
Energy: 0.49001213614957795
Energy: 0.45754824170374203
Energy: 0.4555390050483333
Energy: 0.5330273210442161
Energy: 0.4536729688916741
Energy: 0.4301187690960181
Energy: 0.46105573633395136
Energy: 0.4644087919889894
Energy: 0.4558269821182021
Energy: 0.45633392139284473
Energy: 0.4533287286283786
Energy: 0.4293486822514142
Energy: 0.45691274723263514
Energy: 0.4562014380455434
Energy: 0.4132516851516149
Energy: 0.4550180756099997
Energy: 0.45775820778235815
Energy: 0.41283702593024346
Energy: 0.4552172144733631
Energy: 0.4584471070403501
Energy: 0.41128689950656533
Energy: 0.40456891915398835
Energy: 0.48401769977033815
Energy: 0.4057571286825642
Energy: 0.4062522071799379
Energy: 0.48522670569081805
Energy: 0.4645741214152716
Energy: 0.45588344067120573
Energy: 0.4073015002316511
Energy: 0.40727563780372145
Energy: 0.45598908253076337
Energy: 0.40741428478389935
Energy: 0.43851316441198407
Energy: 0.4573538464899252
Energy: 0.40547864691296565
Energy: 0.43021549789500696
Energy: 0.458260945329494
Energy: 0.4076287837241624
Energy: 0.4566592077217602
Energy: 0.4061608712389583
Energy: 0.4057234212104557
Energy: 0.40589364697141767
Energy: 0.41181950229979447
Energy: 0.41847730993195636
Energy: 0.4124679891312129
Energy: 0.4056410638983059
Energy: 0.40545541294691334
Energy: 0.4054321415450476
Energy: 0.4056241616866776
Energy: 0.40803210602451245
Energy: 0.4058809890916458
Energy: 0.43438266085397514
Energy: 0.405576562904424
Energy: 0.4072601286085025
Energy: 0.4090958434163807
Energy: 0.4055252890217226
Energy: 0.40759369193762507
Energy: 0.4053612020437538
Energy: 0.4068231297763041
Energy: 0.4063694687903764
Energy: 0.40536610559107744
Energy: 0.4195134966202411
Energy: 0.40555642305690537
Energy: 0.41057823002857585
Energy: 0.4882289484886549
Energy: 0.40548356439588634
Energy: 0.4112641022469333
Energy: 0.4129927051521423
Energy: 0.4056674833155109
Energy: 0.3926301117103423
Energy: 0.4119930889524693
Energy: 0.41320539900409325
Energy: 0.3933139446088794
Energy: 0.43372264512421727
Energy: 0.4188332592791144
Energy: 0.3919757653580423
Energy: 0.4606287956360172
Energy: 0.45649479722819813
Energy: 0.39237889164638956
Energy: 0.45808805243397516
Energy: 0.4305767901540234
Energy: 0.4132193831517896
Energy: 0.42631439548999017
Energy: 0.40737857016567336
Energy: 0.41298383383134807
Energy: 0.4173619679872786
Energy: 0.41242426745510036
Energy: 0.5269489925283966
Energy: 0.4176618501934717
Energy: 0.4180061428453208
Energy: 0.5267293568898653
Energy: 0.3955402079119029
Energy: 0.44686846777130046
Energy: 0.53021391137338
Energy: 0.4554737223629809
Energy: 0.4555669396096587
Energy: 0.4573342665703803
Energy: 0.4554751340478472
Energy: 0.40777417232621094
Energy: 0.4173486763844585
Energy: 0.4632126472426071
Energy: 0.4177441061482238
Energy: 0.4185117497386664
Energy: 0.4630329454444736
Energy: 0.4456819200326075

minimum gb energy = 0.3917081505154433 eV
minimum distance =  2.67488859569578 Angstroms
sigma value = 41


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

Energy: 0.5228561604991262
Energy: 0.6339477492145422
Energy: 0.624674887212726
Energy: 0.5062152549282323
Energy: 0.7345494149731089
Energy: 0.6322598990381708
Energy: 0.5005303046006911
Energy: 0.47372045641474586
Energy: 0.47176843750879
Energy: 0.4825541156456037
Energy: 0.47315631940848
Energy: 0.4717281271131092
Energy: 0.5436804383339067
Energy: 0.4738594097015018
Energy: 0.5211191046272834
Energy: 0.5414690317037272
Energy: 0.47130877066405547
Energy: 0.4721546471595683
Energy: 0.48253905998013286
Energy: 0.4706715297498322
Energy: 0.44868776019735557
Energy: 0.48275943670877175
Energy: 0.4717823560401503
Energy: 0.47297854982029264
Energy: 0.4704216964927306
Energy: 0.47306430751241807
Energy: 0.47394639086743
Energy: 0.47054168967177357
Energy: 0.4726084367255825
Energy: 0.45997165956589614
Energy: 0.5024908981348156
Energy: 0.5035267884575442
Energy: 0.5983710218515759
Energy: 0.45028119821061413
Energy: 0.5700598128701386
Energy: 0.4715051916807679
Energy: 0.47025709518167197
Energy: 0.4599467371527694
Energy: 0.4506416677458554
Energy: 0.470482745023098
Energy: 0.46205322725972436
Energy: 0.471704194390734
Energy: 0.472695102303212
Energy: 0.4493655649871564
Energy: 0.4707965100031878
Energy: 0.4734775761500007
Energy: 0.4512700835973527
Energy: 0.47092103211968733
Energy: 0.5507706645478392
Energy: 0.4753876898464407
Energy: 0.44921603140320865
Energy: 0.43842354368441155
Energy: 0.4702665321742708
Energy: 0.4491380046295909
Energy: 0.5089130564778259
Energy: 0.4748798888152866
Energy: 0.47153386410053527
Energy: 0.4523091604862201
Energy: 0.4716383392440597
Energy: 0.4714105619446989
Energy: 0.4805424062017587
Energy: 0.4715106932821012
Energy: 0.4499735530984772
Energy: 0.451273252338484
Energy: 0.4381090654757718
Energy: 0.45045504769994577
Energy: 0.5396053666492208
Energy: 0.4800297136756226
Energy: 0.5021392519875524
Energy: 0.5400195998576589
Energy: 0.43798924381755316
Energy: 0.5284577537787787
Energy: 0.5433009100435285
Energy: 0.47118121250981665
Energy: 0.48417604619279914
Energy: 0.48331926390455276
Energy: 0.47115871728785036
Energy: 0.471666435510957
Energy: 0.4418020569314823
Energy: 0.4841546179075091
Energy: 0.43862856804560185
Energy: 0.44133702562772725
Energy: 0.5683858782241865
Energy: 0.4796303995905824

minimum gb energy = 0.43798924381755316 eV
minimum distance =  2.6725370090813 Angstroms
sigma value = 11


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

Energy: 0.49406975242989953
Energy: 0.5444478919296823
Energy: 0.50211991422262
Energy: 0.6161967043888693
Energy: 0.5746833931249016
Energy: 0.6079237566669122
Energy: 0.5857237105785991
Energy: 0.5052625653632136
Energy: 0.5054948021728398
Energy: 0.5659342332936316
Energy: 0.5048939245875557
Energy: 0.5060596357750585
Energy: 0.5796524060302753
Energy: 0.5211744495061111
Energy: 0.5222454108336549
Energy: 0.5797164067016739
Energy: 0.5181615032293962
Energy: 0.5429276604406073
Energy: 0.5576932282336263
Energy: 0.4909196703811959
Energy: 0.5205707426720569
Energy: 0.5438708935688388
Energy: 0.522212785094485
Energy: 0.5230032688085715
Energy: 0.5627028956605601
Energy: 0.5049209872413741
Energy: 0.5049809209314791
Energy: 0.5509528725176156
Energy: 0.5056943905259621
Energy: 0.5056238732555487
Energy: 0.5639885674261788
Energy: 0.519022727478179
Energy: 0.5194355114706655
Energy: 0.5055517722582183
Energy: 0.5190684009341179
Energy: 0.5236586299195466
Energy: 0.5189007403498039
Energy: 0.523731694285897
Energy: 0.5194377656955446
Energy: 0.5189473158450348
Energy: 0.5078948401440405
Energy: 0.5190766817939663
Energy: 0.5106831455840759
Energy: 0.5055843300948025
Energy: 0.505858566112537
Energy: 0.5060762042408586
Energy: 0.5506091540841287
Energy: 0.5054248861807719
Energy: 0.5175237937727482
Energy: 0.5242023976367673
Energy: 0.5239210252572406
Energy: 0.5016124219403926
Energy: 0.5243051357276545
Energy: 0.49440501516384977
Energy: 0.4997527430513401
Energy: 0.5248703942009637
Energy: 0.5238993602359284
Energy: 0.5100622688248329
Energy: 0.5501552755139814
Energy: 0.49455406405905694
Energy: 0.5109548186646077
Energy: 0.5259445957739802
Energy: 0.5057117773966376
Energy: 0.5063151874059071
Energy: 0.524175800321969
Energy: 0.5054737094516231
Energy: 0.5110379906976331
Energy: 0.5035370775665384
Energy: 0.5142134880707877
Energy: 0.5117143893547098
Energy: 0.5792333529278177
Energy: 0.5245679564128537
Energy: 0.5049122044629989
Energy: 0.556188727789943
Energy: 0.5387213612950364
Energy: 0.5050190089031052
Energy: 0.5640156493561034
Energy: 0.5058713221398391
Energy: 0.5379256161608684
Energy: 0.5644978823260876
Energy: 0.5515793242470112
Energy: 0.5354149181366545
Energy: 0.5605029942559523
Energy: 0.5437827064672115
Energy: 0.49185188767676086
Energy: 0.4927986896159099
Energy: 0.49217718963113577
Energy: 0.4920017799752782
Energy: 0.5433077302210335
Energy: 0.49204728311111384
Energy: 0.49224826233795255
Energy: 0.49212578587030653
Energy: 0.49198443593942626
Energy: 0.49333396608603264
Energy: 0.5422204132205513
Energy: 0.49222445998471676
Energy: 0.491884405964691
Energy: 0.4930714372625505
Energy: 0.49241805550366663
Energy: 0.49201143368452604
Energy: 0.49320886264439595
Energy: 0.5193923379166016
Energy: 0.5640827243812506
Energy: 0.5575866975430945
Energy: 0.5195561757756476
Energy: 0.5391268897441257
Energy: 0.5796853381655792
Energy: 0.5391889991126865
Energy: 0.5255267639172677
Energy: 0.5274826876799937
Energy: 0.5309460716358457
Energy: 0.5252309474260444
Energy: 0.5286676307047349
Energy: 0.5316419627933723
Energy: 0.5584391678585103
Energy: 0.49242755143569267
Energy: 0.4936067347605211
Energy: 0.5592616617015319
Energy: 0.49261559235882
Energy: 0.5370956484723429
Energy: 0.5663381034407767
Energy: 0.49228676947121874
Energy: 0.5388250357154925
Energy: 0.5278834263247607
Energy: 0.5372750294981785
Energy: 0.5301110456929036
Energy: 0.5095982432380062
Energy: 0.5288443573709071
Energy: 0.5300047307147544
Energy: 0.5037623397364658
Energy: 0.5281275638362697
Energy: 0.5311423380143023
Energy: 0.5070551869126179
Energy: 0.5328353902338335
Energy: 0.5157260316647311
Energy: 0.5213782598957162
Energy: 0.5324383305372349
Energy: 0.5451517983324121
Energy: 0.5557326250329838
Energy: 0.5348315844292232
Energy: 0.5296419215282331
Energy: 0.5270501722853432
Energy: 0.5250228664134603
Energy: 0.5309693642317854
Energy: 0.5778184987198361
Energy: 0.5348206852463587
Energy: 0.5348769066348799
Energy: 0.5787472656725132
Energy: 0.5213568298948708
Energy: 0.559182668487134
Energy: 0.5764953468191535
Energy: 0.49319700647014103
Energy: 0.5170813207639137
Energy: 0.5448418107239328
Energy: 0.49188885679268163
Energy: 0.49379725812069786
Energy: 0.5746305125452456
Energy: 0.49198472426476936
Energy: 0.49182040465987
Energy: 0.539203990547321
Energy: 0.4937705335843247
Energy: 0.4917004962967432
Energy: 0.5749605092438648
Energy: 0.5322334466882271
Energy: 0.49421703190923355
Energy: 0.5385788805922728
Energy: 0.49213241774062494
Energy: 0.4923824131134147
Energy: 0.581296087017846
Energy: 0.5368500004173602
Energy: 0.5385811993470697
Energy: 0.5600485307230038
Energy: 0.5115979700700279
Energy: 0.553406627156068
Energy: 0.6204401939386409
Energy: 0.505244313350086
Energy: 0.5057549356047016
Energy: 0.5439718286601622
Energy: 0.5050017360847514
Energy: 0.5564020537470079
Energy: 0.4935023753239237
Energy: 0.5102578222621622
Energy: 0.5510684865537342
Energy: 0.49271597374613335
Energy: 0.5094270250188949
Energy: 0.5321254793313932

minimum gb energy = 0.4909196703811959 eV
minimum distance =  2.68551323502222 Angstroms
sigma value = 57


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

Energy: 0.7618375137179476
Energy: 0.6193744835423892
Energy: 0.6228051637141498
Energy: 0.6193270144482674
Energy: 0.8061567556326377
Energy: 0.617317929675804
Energy: 0.45325264336743015
Energy: 0.4701175965993794
Energy: 0.4688992189712593
Energy: 0.46807447351638404
Energy: 0.467771912118474
Energy: 0.46774216998187823
Energy: 0.5437384550390835
Energy: 0.4826087392306837
Energy: 0.5321397299492048
Energy: 0.5448393297317874
Energy: 0.48324135066791263
Energy: 0.46929205025741094
Energy: 0.4857519181842134
Energy: 0.4689307328862691
Energy: 0.4676636040219729
Energy: 0.48701373601191006
Energy: 0.4833003120024915
Energy: 0.4676483690236221
Energy: 0.5008321824816857
Energy: 0.4701499107960786
Energy: 0.4689895235389594
Energy: 0.4845101241881219
Energy: 0.46973686764458134
Energy: 0.4679578323205872
Energy: 0.4861853730424367
Energy: 0.5422659865976341
Energy: 0.5426993588797678
Energy: 0.4682039059564276
Energy: 0.5437796871974548
Energy: 0.5372128775786517
Energy: 0.543156135028446
Energy: 0.461535965204347
Energy: 0.46210481563921413
Energy: 0.5439451636151243
Energy: 0.5167169646389331
Energy: 0.5423428193708826
Energy: 0.5556292276084975
Energy: 0.46991789650239396
Energy: 0.4681948318520371
Energy: 0.4880858321297303
Energy: 0.4845736706744231
Energy: 0.46822444375368216
Energy: 0.45335071857323683
Energy: 0.48887054203825014
Energy: 0.453674094363184
Energy: 0.4533670925382219
Energy: 0.5366887890607271
Energy: 0.4546157262686241
Energy: 0.453718270972213
Energy: 0.5402862431494239
Energy: 0.4536737398706922
Energy: 0.45345793947557256
Energy: 0.5428786770332988
Energy: 0.45468208845570696
Energy: 0.555039880173861
Energy: 0.46983112564859314
Energy: 0.4680644981635629
Energy: 0.48825281356739086
Energy: 0.48480554492185485
Energy: 0.4677482986155218
Energy: 0.7256325651303903
Energy: 0.5388847948607964
Energy: 0.5331861118941549
Energy: 0.5367673290763672
Energy: 0.5673711516004549
Energy: 0.5367460375055562
Energy: 0.4860648164519262
Energy: 0.4698396445661955
Energy: 0.4687794113127373
Energy: 0.4682001461022761
Energy: 0.46816367933798414
Energy: 0.48361291635866505
Energy: 0.485961232675316
Energy: 0.5446962452053735
Energy: 0.5418737215308238
Energy: 0.47045807580987065
Energy: 0.5427959955565
Energy: 0.5369493725526151
Energy: 0.5032353069575204
Energy: 0.5093286750997579
Energy: 0.4679332017103099
Energy: 0.48413397963844923
Energy: 0.5085829876764899
Energy: 0.4675168394055902
Energy: 0.5422198300913332
Energy: 0.45306226367729635
Energy: 0.453794462634283
Energy: 0.5433940814326921
Energy: 0.5085827006293159
Energy: 0.4692713598143126
Energy: 0.4533274597031947
Energy: 0.4706735558790338
Energy: 0.4690453283186921
Energy: 0.45330273690842166
Energy: 0.4683929183437262
Energy: 0.4686256030598284

minimum gb energy = 0.45306226367729635 eV
minimum distance =  2.68368981987734 Angstroms
sigma value = 9


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

Energy: 0.8405869421947613
Energy: 0.5496417646634567
Energy: 0.568752684445236
Energy: 0.5734384367413543
Energy: 0.5947007136302683
Energy: 0.5705349554944525
Energy: 0.6187955263936898
Energy: 0.5434769992845818
Energy: 0.5348113471771518
Energy: 0.5326215615723368
Energy: 0.5297357030356611
Energy: 0.5368127998625781
Energy: 0.554459521950829
Energy: 0.5329329438403868
Energy: 0.5559442522741707
Energy: 0.5543803854895281
Energy: 0.5312625531928107
Energy: 0.5323003666410104
Energy: 0.5304290435367272
Energy: 0.5327544979349099
Energy: 0.548705916927413
Energy: 0.5328519033656486
Energy: 0.5319384787010112
Energy: 0.5324387158058221
Energy: 0.5753350790924037
Energy: 0.5272886672854367
Energy: 0.5201985992841203
Energy: 0.51484945119223
Energy: 0.5395122488302075
Energy: 0.5142386573644406
Energy: 0.5492874006440073
Energy: 0.541806001160561
Energy: 0.540433003308929
Energy: 0.5526701628247134
Energy: 0.5440560551626707
Energy: 0.5401693216552909
Energy: 0.5415226611392825
Energy: 0.5413910662490231
Energy: 0.5692462713579778
Energy: 0.5420806123684595
Energy: 0.544950151170044
Energy: 0.5516227955335092
Energy: 0.5376322724418703
Energy: 0.5372237688565057
Energy: 0.5423193049903532
Energy: 0.5233825794216165
Energy: 0.5382005485631602
Energy: 0.5411907256656504
Energy: 0.5373124340024681
Energy: 0.5490631175802149
Energy: 0.5268939381986908
Energy: 0.566597681379899
Energy: 0.5470804932218488
Energy: 0.5553478371277524
Energy: 0.5367653092630361
Energy: 0.5251075507306474
Energy: 0.5287462943237335
Energy: 0.5522383600206725
Energy: 0.5231551576928617
Energy: 0.5152300548712098
Energy: 0.5371596530658893
Energy: 0.536922548508911
Energy: 0.5150376175207865
Energy: 0.5235135388936155
Energy: 0.5435282565150628
Energy: 0.5151075482434245
Energy: 0.5374957597025507
Energy: 0.5336619637009633
Energy: 0.5387932591022907
Energy: 0.5303380469294131
Energy: 0.5335351869445042
Energy: 0.5390100700965537
Energy: 0.699062866698622
Energy: 0.5242750378516028
Energy: 0.533454965727037
Energy: 0.5377259582507727
Energy: 0.5269826427652472
Energy: 0.5382796336462671
Energy: 0.5388837993955558
Energy: 0.5463647782031188
Energy: 0.5331763589159025
Energy: 0.5238394585050227
Energy: 0.5254898913745623
Energy: 0.5347286691919791
Energy: 0.5691351367997964
Energy: 0.5377186294308226
Energy: 0.5382221205590412
Energy: 0.5706973934535332
Energy: 0.5427118886734129
Energy: 0.5596359901845855
Energy: 0.5621781970983404
Energy: 0.5800932106914897
Energy: 0.5345374875755138
Energy: 0.5630796863896784
Energy: 0.5585596947460516
Energy: 0.573977754610648
Energy: 0.539394614982467
Energy: 0.5330611036428118
Energy: 0.5487102632023289
Energy: 0.543450786721222
Energy: 0.547145836457129
Energy: 0.53529851091307
Energy: 0.6440543310716266
Energy: 0.5323630172864569
Energy: 0.5242775066886067
Energy: 0.5143288449542177
Energy: 0.5320718377143872
Energy: 0.5176179375819037
Energy: 0.5290358677451398
Energy: 0.5334014747634318
Energy: 0.5350063189277366
Energy: 0.5296482467045268
Energy: 0.523507181984036
Energy: 0.5359690552223573
Energy: 0.5298885596786197
Energy: 0.5331805867281187
Energy: 0.5344869471012811
Energy: 0.5306178203029176
Energy: 0.5337112884292716
Energy: 0.5383873910054175
Energy: 0.5311201445587715
Energy: 0.534697912794842
Energy: 0.5445094263085858
Energy: 0.5370254738391345
Energy: 0.5334157053506846
Energy: 0.538562686871831

minimum gb energy = 0.5142386573644406 eV
minimum distance =  2.66153664447467 Angstroms
sigma value = 27


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

Energy: 0.6928155677518534
Energy: 0.6089833899851165
Energy: 0.5732702352675842
Energy: 0.5859190430146977
Energy: 0.7039482592494949
Energy: 0.6052436960097515
Energy: 0.5419940187270708
Energy: 0.5783652338802794
Energy: 0.5744939273826163
Energy: 0.5066450685213342
Energy: 0.573689569365908
Energy: 0.5218019639720395
Energy: 0.6064748232567424
Energy: 0.549349092275867
Energy: 0.5340281051618267
Energy: 0.5648873705011491
Energy: 0.5694903632324873
Energy: 0.5373226620521635
Energy: 0.5976986350991468
Energy: 0.5487043204042411
Energy: 0.5195156613889835
Energy: 0.531220974503623
Energy: 0.5201454248674737
Energy: 0.571257647684044
Energy: 0.5803120765663126
Energy: 0.5482707784935673
Energy: 0.603053218041565
Energy: 0.5285990517369025
Energy: 0.6011324170751638
Energy: 0.553500967594782
Energy: 0.6531937877342526
Energy: 0.5831689077598919
Energy: 0.584618358134051
Energy: 0.5862252521337611
Energy: 0.5829520296603499
Energy: 0.5853477745186738
Energy: 0.5988235069592623
Energy: 0.556783949003394
Energy: 0.5558982609406633
Energy: 0.5251046240401406
Energy: 0.5570316432168417
Energy: 0.5561801276372976
Energy: 0.6244923020993631
Energy: 0.5645477112236943
Energy: 0.603089368212823
Energy: 0.6083315669037057
Energy: 0.5643099966059342
Energy: 0.6109947310887635
Energy: 0.5985479187950291
Energy: 0.5891415106899721
Energy: 0.5589909489661827
Energy: 0.5775429033279743
Energy: 0.589878127180251
Energy: 0.5589528870106197
Energy: 0.5971654592023895
Energy: 0.5453809908712177
Energy: 0.5458157091528154
Energy: 0.5703986012098685
Energy: 0.545672899382702
Energy: 0.5468172246451704
Energy: 0.6186611770241096
Energy: 0.5068728097849335
Energy: 0.5867496558625952
Energy: 0.5186306084926764
Energy: 0.528905730260597
Energy: 0.5066575378434398
Energy: 0.5359767750861107
Energy: 0.5308914773473138
Energy: 0.5318317925983659
Energy: 0.5366539217605774
Energy: 0.530979081078249
Energy: 0.5375257829931697
Energy: 0.62166446169313
Energy: 0.5433163827650267
Energy: 0.5409376434391496
Energy: 0.5419715952648698
Energy: 0.5415529820423649
Energy: 0.5412941431595906
Energy: 0.5851400129147081
Energy: 0.5421203691091266
Energy: 0.5420088851292532
Energy: 0.5645846752128816
Energy: 0.5410600817556815
Energy: 0.5423597944101688
Energy: 0.5627229333678783
Energy: 0.5403605689145935
Energy: 0.540497642087987
Energy: 0.5448376309048145
Energy: 0.5415959905910405
Energy: 0.5419763199311872
Energy: 0.6071288597772821
Energy: 0.5475771834835091
Energy: 0.5749193864726388
Energy: 0.5759029399598411
Energy: 0.5916617262493181
Energy: 0.5727519121618685
Energy: 0.5517814029141251
Energy: 0.5818722973941518
Energy: 0.5810729561559759
Energy: 0.5472959179880157
Energy: 0.5782849595815783
Energy: 0.5745552002361436
Energy: 0.623168450333343
Energy: 0.5859481888108985
Energy: 0.5835479977101188
Energy: 0.584682269335967
Energy: 0.583855589645875
Energy: 0.5859919745008986
Energy: 0.6236844837661919
Energy: 0.5572658548562818
Energy: 0.556993083880326
Energy: 0.6135439922344094
Energy: 0.5577087097015292
Energy: 0.5568691130026561
Energy: 0.5972527098725985
Energy: 0.5572206244712783
Energy: 0.5570321746801148
Energy: 0.5245754172079052
Energy: 0.5574913573138777
Energy: 0.5571401823780935
Energy: 0.710903215649545
Energy: 0.5850963408097951
Energy: 0.585483014085702
Energy: 0.5876658481853667
Energy: 0.5843987948867474
Energy: 0.5869448411046897
Energy: 0.5743793452103904
Energy: 0.5814712953116217
Energy: 0.5600385798004376
Energy: 0.5300319203060934
Energy: 0.590169696848267
Energy: 0.5569746518138056
Energy: 0.5846011531544238
Energy: 0.5961099427528385
Energy: 0.5114196967593283
Energy: 0.5093127973216596
Energy: 0.5075313111021593
Energy: 0.6036603953301011
Energy: 0.584370397623475
Energy: 0.6143113648406836
Energy: 0.5551599329588109
Energy: 0.5106487625865586
Energy: 0.5589948216621436
Energy: 0.6032459047543474
Energy: 0.5426898586618047
Energy: 0.6096693225378296
Energy: 0.6129307114224345
Energy: 0.5190540500569135
Energy: 0.6080468616753184
Energy: 0.5574152256422499

minimum gb energy = 0.5066450685213342 eV
minimum distance =  2.62239668524839 Angstroms
sigma value = 19


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

Energy: 0.792087361770441
Energy: 0.6001877899926414
Energy: 0.6182034025010462
Energy: 0.5918263062785084
Energy: 0.5101841003758006
Energy: 0.6198354905195165
Energy: 0.5262322139168578
Energy: 0.5266154404745547
Energy: 0.5273062616430982
Energy: 0.5271864746124145
Energy: 0.5260323586048512
Energy: 0.5285799344179136
Energy: 0.5377670770285515
Energy: 0.5246248135424425
Energy: 0.5262423129543157
Energy: 0.5349615343108526
Energy: 0.5300889743201046
Energy: 0.5248331744983842
Energy: 0.539668993471779
Energy: 0.5611044451999093
Energy: 0.5252439066857567
Energy: 0.5260539473143574
Energy: 0.5275557975633065
Energy: 0.528699237739268
Energy: 0.5630266036121934
Energy: 0.5351240179891894
Energy: 0.5370465355767029
Energy: 0.5351539921399252
Energy: 0.5341388178962057
Energy: 0.5317639031219245
Energy: 0.5652006966673171
Energy: 0.5262689324635821
Energy: 0.563945050965559
Energy: 0.5720701699941564
Energy: 0.5268890461120591
Energy: 0.5606868947958537
Energy: 0.5604748315192193
Energy: 0.5730917275459189
Energy: 0.5735510010098825
Energy: 0.5359367906941702
Energy: 0.5731111150304031
Energy: 0.5794098856597354
Energy: 0.5748953571047614
Energy: 0.5294216680423046
Energy: 0.528274800399924
Energy: 0.575122889410594
Energy: 0.5297426651844243
Energy: 0.5313865590553322
Energy: 0.5537030882974852
Energy: 0.5304908818822512
Energy: 0.5335221535270215
Energy: 0.5296523555813856
Energy: 0.5341754359045016
Energy: 0.5342506685682574
Energy: 0.5540507551899678
Energy: 0.5399094907496101
Energy: 0.5409232197224274
Energy: 0.5297565669599609
Energy: 0.5396878559148324
Energy: 0.5312894420242388
Energy: 0.5333328976423535
Energy: 0.5125315412983544
Energy: 0.5190890513693885
Energy: 0.5341191376841431
Energy: 0.513761030657776
Energy: 0.5242414140760272
Energy: 0.5251152839730444
Energy: 0.5578672900036674
Energy: 0.5075437256406501
Energy: 0.5267207471746657
Energy: 0.5370703727684923
Energy: 0.5074148626008611
Energy: 0.5620024001406597
Energy: 0.5387037722532207
Energy: 0.5787612331884057
Energy: 0.5157929860410537
Energy: 0.5421211866154304
Energy: 0.5373084119340145
Energy: 0.5629576971241206
Energy: 0.5337665812551351
Energy: 0.5345157998050266
Energy: 0.5368572807679994
Energy: 0.533432709557636
Energy: 0.5337012678520949
Energy: 0.5249366418473066
Energy: 0.5134299688294113
Energy: 0.5135257460387017
Energy: 0.5256290463302934
Energy: 0.5134542037474057
Energy: 0.5073878975773671
Energy: 0.5252961819159832
Energy: 0.5083733630037297
Energy: 0.510410102189049
Energy: 0.5246961430426217
Energy: 0.5129991685475844
Energy: 0.5125477182331956
Energy: 0.6813074076366121
Energy: 0.5364849019087061
Energy: 0.5448326459418733
Energy: 0.5223526414627274
Energy: 0.5360590800748749
Energy: 0.5364611922825585
Energy: 0.5483111245207037
Energy: 0.5181743744383136
Energy: 0.5190632018755323
Energy: 0.5440795467387909
Energy: 0.5231820991567996
Energy: 0.5102563785071026
Energy: 0.5427995258255902
Energy: 0.5269505428875049
Energy: 0.5217189305254523
Energy: 0.527295638367242
Energy: 0.5264677606637365
Energy: 0.5202174765087185
Energy: 0.5368588763017218
Energy: 0.5266310364105347
Energy: 0.5216452086131598
Energy: 0.5205756307532388
Energy: 0.527324649427951
Energy: 0.5205274605187938
Energy: 0.5421695125514717
Energy: 0.5185619979997367
Energy: 0.5124651625056157
Energy: 0.5075580624463293
Energy: 0.5239500278716258
Energy: 0.5101508454293928
Energy: 0.5509981529494294
Energy: 0.5133398486208695
Energy: 0.5095256649382865
Energy: 0.5508522990427763
Energy: 0.5239247160189487
Energy: 0.5069913540141212
Energy: 0.551385794580487
Energy: 0.5368800653257844
Energy: 0.5353833405223335
Energy: 0.5522379744924625
Energy: 0.5340310360147189
Energy: 0.5275259729083138
Energy: 0.5375813164308131
Energy: 0.5058682864966565
Energy: 0.5254070057485665
Energy: 0.5374937767085299
Energy: 0.519939671355144
Energy: 0.527185946513133
Energy: 0.5622224267831228
Energy: 0.5124579779184417
Energy: 0.5099892756690005
Energy: 0.5077483764150467
Energy: 0.5264492511045776
Energy: 0.5071856447753185
Energy: 0.5599646471935857
Energy: 0.5271194295190443
Energy: 0.5255909280709932
Energy: 0.5281190830906699
Energy: 0.5263049158724606
Energy: 0.5254099637727911
Energy: 0.5368596199746052
Energy: 0.5301705017790338
Energy: 0.5324784585412867
Energy: 0.5345055964388742
Energy: 0.5301424543975594
Energy: 0.5347138814112525
Energy: 0.5364272185902706
Energy: 0.529467921236354
Energy: 0.5323175500629238
Energy: 0.5334506314579903
Energy: 0.5295414256067512
Energy: 0.5273404854000102
Energy: 0.5611293896402667
Energy: 0.5762402370307781
Energy: 0.5307690648165783
Energy: 0.5073875728639788
Energy: 0.5751318807561148
Energy: 0.5644201166333287

minimum gb energy = 0.5058682864966565 eV
minimum distance =  2.65969734981777 Angstroms
sigma value = 101


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

Energy: 0.7456346254110987
Energy: 0.5340602810210145
Energy: 0.533133266294763
Energy: 0.6414907149959386
Energy: 0.5212038159633792
Energy: 0.5229159005962607
Energy: 0.5207192166451464
Energy: 0.5252783270529531
Energy: 0.5215142418324464
Energy: 0.5554346489768114
Energy: 0.5200500707671463
Energy: 0.5223919582054227
Energy: 0.5370509483588338
Energy: 0.5224740405230981
Energy: 0.5281820463016933
Energy: 0.5313000089697603
Energy: 0.5308057880262268
Energy: 0.5270513969673442
Energy: 0.5407036285540416
Energy: 0.5490001224459123
Energy: 0.5276255250260741
Energy: 0.5222205854517936
Energy: 0.5243940860710371
Energy: 0.5213932961927689
Energy: 0.5398573389313477
Energy: 0.5300623373740334
Energy: 0.5308844998947242
Energy: 0.5369960481411589
Energy: 0.5300595925712623
Energy: 0.534037988337421
Energy: 0.5401998427690651
Energy: 0.5255452861802768
Energy: 0.5361460746429864
Energy: 0.5409963416785115
Energy: 0.5205454293321902
Energy: 0.5488317422767595
Energy: 0.5546754017658082
Energy: 0.5273560728065888
Energy: 0.5257211502888424
Energy: 0.5438114368849847
Energy: 0.5276188647359648
Energy: 0.5275577309545427
Energy: 0.5443359660212532
Energy: 0.5278891542684129
Energy: 0.5277708331010142
Energy: 0.5426985599720328
Energy: 0.5388611381649011
Energy: 0.5372431604845238
Energy: 0.5301322341926061
Energy: 0.520848511838481
Energy: 0.5295026391690348
Energy: 0.5271660358080809
Energy: 0.5310228028813018
Energy: 0.528713298445092
Energy: 0.5293628680154099
Energy: 0.524155202588518
Energy: 0.5219669768794782
Energy: 0.5263237054497032
Energy: 0.5231308210380319
Energy: 0.529275087779591
Energy: 0.5914169744985512
Energy: 0.5170999931756245
Energy: 0.5148246259285709
Energy: 0.5919061188797803
Energy: 0.5187659833543123
Energy: 0.5801625729396691
Energy: 0.5363570710509544
Energy: 0.5289435963676874
Energy: 0.5294043990527503
Energy: 0.5310045394193317
Energy: 0.5378274270941856
Energy: 0.5249759250194608
Energy: 0.6451834789986104
Energy: 0.5213844234930833
Energy: 0.5214715231310653
Energy: 0.5271084244539714
Energy: 0.5298723357971427
Energy: 0.5217472839284577
Energy: 0.5344796683877777
Energy: 0.5220122994186388
Energy: 0.5224352969323163
Energy: 0.5261104655532024
Energy: 0.5218998319330947
Energy: 0.5299664307769182
Energy: 0.5359638646481019
Energy: 0.5288234911097164
Energy: 0.5289754906541501
Energy: 0.5314260990207393
Energy: 0.5280081136148841
Energy: 0.5291347245167138
Energy: 0.5362215618243023
Energy: 0.53347690372489
Energy: 0.5281294934997522
Energy: 0.5290911109644846
Energy: 0.53136933875162
Energy: 0.5346958844879547
Energy: 0.7468687494326406
Energy: 0.5468399156057792
Energy: 0.5335600257454115
Energy: 0.5178440997381759
Energy: 0.5761524200000895
Energy: 0.5164563669698369
Energy: 0.5803511288021012
Energy: 0.5194198011912778
Energy: 0.5205474331237766
Energy: 0.5363343008692824
Energy: 0.5192789565280522
Energy: 0.5340717303478737
Energy: 0.535914385191559
Energy: 0.5289056673083983
Energy: 0.5311520044079954
Energy: 0.5300118223542523
Energy: 0.5288573332183544
Energy: 0.5212829486226276
Energy: 0.5400494458818021
Energy: 0.5285321708770331
Energy: 0.528133427860104
Energy: 0.5188538143137824
Energy: 0.5296140230856009
Energy: 0.5220559729261137
Energy: 0.5413854022073628
Energy: 0.5199652330385253
Energy: 0.5253591931330274
Energy: 0.53586671340204
Energy: 0.5322585695262465
Energy: 0.5328417432690585
Energy: 0.5539010261988859
Energy: 0.5206930028111717
Energy: 0.5222967246899949
Energy: 0.5317954342971724
Energy: 0.5271427967715422
Energy: 0.5280521749523507
Energy: 0.5425971533459834
Energy: 0.52764099721272
Energy: 0.5273147849505837
Energy: 0.539202128597735
Energy: 0.5267622175242528
Energy: 0.5202954300466675
Energy: 0.5438634593370547
Energy: 0.5288918091488151
Energy: 0.5289173478906569
Energy: 0.542642721636823
Energy: 0.5262952126498046
Energy: 0.5355956642321174
Energy: 0.5327248456360978
Energy: 0.5211804265297264
Energy: 0.522275501473796
Energy: 0.5301269118014758
Energy: 0.5302855723063278
Energy: 0.5280741411707724
Energy: 0.5303076906263811
Energy: 0.5228857963677229
Energy: 0.5233051649686069
Energy: 0.5274820318758277
Energy: 0.5211381144369934
Energy: 0.5293652672119952
Energy: 0.5355420028365316
Energy: 0.5206742468349933
Energy: 0.5031425495282614
Energy: 0.5191840271527706
Energy: 0.5208284848966177
Energy: 0.5194484376034082
Energy: 0.5389347969879941
Energy: 0.519973913130781
Energy: 0.5205205801341258
Energy: 0.5310629060242178
Energy: 0.519371396691992
Energy: 0.5303993253812451
Energy: 0.5348380043818587
Energy: 0.5349766181183377
Energy: 0.5290614931742226
Energy: 0.5254273261851475
Energy: 0.544774671881077
Energy: 0.5363850819913617
Energy: 0.5368932502311512
Energy: 0.525921237689911
Energy: 0.520333854248229
Energy: 0.524906940490179
Energy: 0.5197851465863561
Energy: 0.534034256365411
Energy: 0.5370599626023925
Energy: 0.5339342526209909
Energy: 0.5332024167779917
Energy: 0.5309759251376346
Energy: 0.5259042258508696
Energy: 0.5322176000170434
Energy: 0.5365662979229666
Energy: 0.5290106592575317
Energy: 0.5281407808987009
Energy: 0.529014658816846
Energy: 0.5303064430219342
Energy: 0.5239824497987136
Energy: 0.5318988462839184
Energy: 0.5290673894235851
Energy: 0.5442785418130414
Energy: 0.5133874222342542
Energy: 0.5285439032446143
Energy: 0.5454699602452114

minimum gb energy = 0.5031425495282614 eV
minimum distance =  2.66607235592516 Angstroms
sigma value = 33


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

Energy: 0.013171169567317311
Energy: 0.014040464114528374
Energy: 0.013662668281774284
Energy: 0.014650818415079616
Energy: 0.3889043375300138
Energy: 0.013647913126405316
Energy: 0.014111941554479875
Energy: 0.07616740774488352
Energy: 0.07609555236459437
Energy: 0.07711685811984786
Energy: 0.07726429060275049
Energy: 0.07573251629220848
Energy: 0.5810590002540874
Energy: 0.3873091427836607
Energy: 0.38666241943253865
Energy: 0.38871380529365684
Energy: 0.3893658796092268
Energy: 0.38637753468412034
Energy: 0.014111941554479875
Energy: 0.07616740774488352
Energy: 0.07609555236459437
Energy: 0.07711685811949558
Energy: 0.07726429060275049
Energy: 0.07573251629220848

minimum gb energy = 0.013171169567317311 eV
minimum distance =  2.83339307332535 Angstroms
sigma value = 1