Model name: model_name=EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_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=4.07011042535305
cohesive_energy=3.924526565174249
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.1223183234104639e-19, 1.8598066367472e-19, 2.38205213236584e-19, 2.8554953277128396e-19, 3.30605944072632e-19, 3.6980479760007598e-19, 4.032326108918519e-19, 4.3297541792542797e-19, 4.597301655365939e-19, 4.83956678419308e-19, 5.06406377414916e-19, 5.266947401312579e-19, 5.443331026949639e-19, 5.60383708214376e-19, 5.7461263890093e-19, 5.866706202484139e-19, 5.96703450330522e-19, 6.05076425419806e-19, 6.120731307804839e-19, 6.179403016141919e-19, 6.2267793792092995e-19, 6.26045713205598e-19, 6.28059649234536e-19, 6.28729359067548e-19, 6.28027605701856e-19, 6.257877627675239e-19, 6.217294493536019e-19, 6.1530792540453e-19, 6.057317156631119e-19, 5.9221415140205395e-19, 5.739124877118719e-19, 5.502435322977899e-19, 5.20404594666174e-19, 4.832324945807399e-19, 4.36562691408954e-19, 3.7652753075633993e-19, 2.98769092178418e-19, 1.9903680106518596e-19, 7.340147943942239e-20, -8.51608150623288e-20, -2.8304052416243996e-19, -5.28367412537154e-19, -8.45601590422422e-19, -1.2712326306575938e-18, -1.85689067527332e-18, -2.67191792898912e-18, -3.803759590312079e-18, -5.37511034587392e-18, -7.65321325822584e-18, -1.1114123070628259e-17, -1.65474404936154e-17, -2.49885080898444e-17, -3.914133538628339e-17, -6.43084861708188e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01194092713589075
Energy: 0.2566218014457162
Energy: 0.012537767992465988
Energy: 0.013737632111775283
Energy: 0.25660318067009896
Energy: 0.012335099519726769
Energy: 0.2566218014396962
Energy: 0.06995925654041597
Energy: 0.0698951262584638
Energy: 0.0698676522819774
Energy: 0.06970160927942334
Energy: 0.06988024850284265
Energy: 0.012537767993675479
Energy: 0.06989512625871118
Energy: 0.07111160410333979
Energy: 0.012494553319379376
Energy: 0.06979644323746502
Energy: 0.07080009839492662
Energy: 0.013737632111280491
Energy: 0.0698676522815101
Energy: 0.012494553319379376
Energy: 0.012206708561896738
Energy: 0.0698069492769095
Energy: 0.012348007367923892
Energy: 0.25660318067372745
Energy: 0.06970160927942334
Energy: 0.06979644323771243
Energy: 0.06980694927715689
Energy: 0.06974211412413762
Energy: 0.06978521050761348
Energy: 0.012335099520936258
Energy: 0.06988024850309003
Energy: 0.0708000983864602
Energy: 0.012348007368885984
Energy: 0.06978521050761348
Energy: 0.012640125320019686

minimum gb energy = 0.01194092713589075 eV
minimum distance =  2.86911939879825 Angstroms
sigma value = 1


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

Energy: 0.7493046405085604
Energy: 0.522999217831428
Energy: 0.5489450972048477
Energy: 0.521813299036798
Energy: 0.5131635757908674
Energy: 0.5387925421047881
Energy: 0.7079647222115109
Energy: 0.5271729154857883
Energy: 0.5071455783155409
Energy: 0.5168627553533405
Energy: 0.5278966526721778
Energy: 0.5071846839524025
Energy: 0.7141013700406771
Energy: 0.5158783882119669
Energy: 0.5043474851710127
Energy: 0.5228067027053878
Energy: 0.5197009203730474
Energy: 0.5012696285347439
Energy: 0.7745031790397762
Energy: 0.5073391182041245
Energy: 0.5133722362457469
Energy: 0.5153683296531429
Energy: 0.5115932678227813
Energy: 0.5130539354365549
Energy: 0.7061522181104444
Energy: 0.516601992626842
Energy: 0.5269503117414858
Energy: 0.5128214656241128
Energy: 0.5083770894079322
Energy: 0.5212451427466733
Energy: 0.7044471885982592
Energy: 0.5186030318529282
Energy: 0.5122352775461971
Energy: 0.5213053898695045
Energy: 0.518665439281762
Energy: 0.5231770747470805
Energy: 0.7065816207594399
Energy: 0.4974076145862053
Energy: 0.5254458839264861
Energy: 0.5219048031886335
Energy: 0.48669889244849524
Energy: 0.5257885920411117
Energy: 0.5827150838335944
Energy: 0.5296493526027851
Energy: 0.5291205949637456
Energy: 0.48725483730319635
Energy: 0.5242024596356348
Energy: 0.5022084770834042
Energy: 0.5839908870433569
Energy: 0.5254984188170612
Energy: 0.5224817376419396
Energy: 0.5265800294639871
Energy: 0.5219468545934518
Energy: 0.5209215792553249
Energy: 0.5892883252618537
Energy: 0.516655921173172
Energy: 0.523280394376234
Energy: 0.5228646783900033
Energy: 0.5133352579862132
Energy: 0.516843739214656
Energy: 0.5870933248399599
Energy: 0.5148655260442044
Energy: 0.5132387843902487
Energy: 0.5251361427605687
Energy: 0.5166730155398582
Energy: 0.5056881218166669
Energy: 0.5285230800967273
Energy: 0.504876598947363
Energy: 0.5045228492026347
Energy: 0.5159020001048358
Energy: 0.5160868836596157
Energy: 0.5064792312959978
Energy: 0.5345890238401766
Energy: 0.5265950921441196
Energy: 0.5248747326473601
Energy: 0.5301809365025177
Energy: 0.525459110051871
Energy: 0.5083973486824088
Energy: 0.5728695778917967
Energy: 0.5025183242304182
Energy: 0.5000933344069175
Energy: 0.5101556721704233
Energy: 0.5028974019063246
Energy: 0.5121058039890451
Energy: 0.5421878424019211
Energy: 0.5226909272375039
Energy: 0.5183403311086737
Energy: 0.5197487884810498
Energy: 0.5134667539607355
Energy: 0.5249734257439906
Energy: 0.5451356389492218
Energy: 0.5017679679546152
Energy: 0.5018984417286991
Energy: 0.5197995434704412
Energy: 0.5044569613749809
Energy: 0.5189258560164003
Energy: 0.6733633508546296
Energy: 0.5217881694802545
Energy: 0.5229782082880755
Energy: 0.5048066077244163
Energy: 0.5213519217996112
Energy: 0.5018437595900545
Energy: 0.6453229360377081
Energy: 0.4900374103729405
Energy: 0.5179905575306326
Energy: 0.522489059621519
Energy: 0.48979111704837636
Energy: 0.5279511764186909
Energy: 0.6461532959703835
Energy: 0.5223049344563282
Energy: 0.5279568443459475
Energy: 0.5221176528594179
Energy: 0.5221446833502164
Energy: 0.5268616370762806
Energy: 0.6489921317085985
Energy: 0.5309795180411458
Energy: 0.5299844972080276
Energy: 0.4876417606382602
Energy: 0.5220401180019439
Energy: 0.5281005810142169
Energy: 0.7274808020561795
Energy: 0.5018545840491372
Energy: 0.5033787701576427
Energy: 0.5183049200357293
Energy: 0.5066447863771097
Energy: 0.5101121148482775
Energy: 0.7313418524164792
Energy: 0.5199639902469313
Energy: 0.5051602556146689
Energy: 0.5155749124522391
Energy: 0.5178788861129958
Energy: 0.5042576118951848
Energy: 0.7303379839098029
Energy: 0.5195020939084556
Energy: 0.5054130488713127
Energy: 0.5278670332365999
Energy: 0.5182591968542237
Energy: 0.5335803493947773

minimum gb energy = 0.48669889244849524 eV
minimum distance =  2.64150020873174 Angstroms
sigma value = 33


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

Energy: 0.9042550397337829
Energy: 0.5123661896684261
Energy: 0.5367138031069061
Energy: 0.5294590933439813
Energy: 0.51256764613148
Energy: 0.5448965102072301
Energy: 0.7387514056966069
Energy: 0.5115378759526522
Energy: 0.5093465244465931
Energy: 0.5308773141485232
Energy: 0.5174255728036306
Energy: 0.5085631666592694
Energy: 0.7271608143269651
Energy: 0.5159900711288011
Energy: 0.5134740196042789
Energy: 0.554410682242553
Energy: 0.515583542819829
Energy: 0.5167055020933017
Energy: 0.7280479864915077
Energy: 0.5565310545709368
Energy: 0.5178112274222639
Energy: 0.5388136034933624
Energy: 0.5125235841546936
Energy: 0.5522208791344211
Energy: 0.6946521624890861
Energy: 0.5220733372678373
Energy: 0.532505040649511
Energy: 0.5165919280209765
Energy: 0.54222305594163
Energy: 0.5285144792409199
Energy: 0.7350002300795024
Energy: 0.5653140679168395
Energy: 0.5657428753241177
Energy: 0.5270181745801467
Energy: 0.5648393460227856
Energy: 0.5661941460475229
Energy: 0.7350702609400972
Energy: 0.566041485641969
Energy: 0.5662099051871451
Energy: 0.5645114035704207
Energy: 0.5513887067544658
Energy: 0.5667226208863464
Energy: 0.6952543165129184
Energy: 0.554412112469085
Energy: 0.5565645873286836
Energy: 0.529655613160283
Energy: 0.5509607431847976
Energy: 0.5562605139230327
Energy: 0.6118975075831573
Energy: 0.5506921559917627
Energy: 0.572016605650418
Energy: 0.5673992550232609
Energy: 0.5503838460103755
Energy: 0.5676582732738701
Energy: 0.6123520990205134
Energy: 0.5727775331562824
Energy: 0.5684359861776386
Energy: 0.5753694371105578
Energy: 0.5724603701022153
Energy: 0.5680346301354633
Energy: 0.6264529765680398
Energy: 0.48746144840356115
Energy: 0.49168581052045934
Energy: 0.5428530786019149
Energy: 0.48795505639097203
Energy: 0.4956323956921059
Energy: 0.5630536931517028
Energy: 0.5194206013637729
Energy: 0.55670708584278
Energy: 0.5536989236806102
Energy: 0.5197130804420261
Energy: 0.5457772410584983
Energy: 0.5628169275841487
Energy: 0.5737106655557721
Energy: 0.5548291229068679
Energy: 0.5575771311654439
Energy: 0.5781054378282142
Energy: 0.5481740912370612
Energy: 0.5697380597797236
Energy: 0.5526835641842773
Energy: 0.5531990311884313
Energy: 0.56219503865404
Energy: 0.5387229615012387
Energy: 0.5531670753643401
Energy: 0.6043097511900365
Energy: 0.5764339732006604
Energy: 0.5645538492929252
Energy: 0.5739268916676409
Energy: 0.5761366638026835
Energy: 0.5645850107867431
Energy: 0.6040496978345221
Energy: 0.5625770339486715
Energy: 0.5619099369657747
Energy: 0.5641389182958133
Energy: 0.5628293906309394
Energy: 0.5647502102019526
Energy: 0.720179853897239
Energy: 0.564399215358052
Energy: 0.5649522485552351
Energy: 0.5664666396580369
Energy: 0.5641245902256546
Energy: 0.56463663196855
Energy: 0.6475373625616452
Energy: 0.5808549946411466
Energy: 0.5746644081729427
Energy: 0.5500473812222215
Energy: 0.5774909367720501
Energy: 0.5564665200522416
Energy: 0.6495631861437956
Energy: 0.5697857514806955
Energy: 0.5688959559241911
Energy: 0.5499398454437493
Energy: 0.5699568481014902
Energy: 0.5665916042564235
Energy: 0.7126546591734071
Energy: 0.5748902164949555
Energy: 0.5672749787109851
Energy: 0.563788480394923
Energy: 0.5743851764120339
Energy: 0.5674375692488886
Energy: 0.7846160368915408
Energy: 0.5644093352219506
Energy: 0.49288650693296954
Energy: 0.496116070158351
Energy: 0.5704848481543322
Energy: 0.4964688206455433
Energy: 0.7729983258390675
Energy: 0.5518965812893684
Energy: 0.5495955259951426
Energy: 0.5192508600110562
Energy: 0.5529572201854313
Energy: 0.5536857925250389
Energy: 0.7110060072353434
Energy: 0.5579210191950068
Energy: 0.5473469926187019
Energy: 0.5663879351863361
Energy: 0.5610012665379814
Energy: 0.5493375019923581
Energy: 0.7304440498284123
Energy: 0.5538836345671753
Energy: 0.5534284994730956
Energy: 0.5317271834757731
Energy: 0.5543021121095427
Energy: 0.5549711320575706
Energy: 0.6948270643241563
Energy: 0.5570872708228655
Energy: 0.5575709466126306
Energy: 0.5587956964820411
Energy: 0.5676242549218412
Energy: 0.5654922717457852
Energy: 0.7367580267557325
Energy: 0.5618651402870495
Energy: 0.5634206217741621
Energy: 0.5653659038928266
Energy: 0.5625362709043064
Energy: 0.5631934659485932
Energy: 0.7382532588845986
Energy: 0.5631029602654263
Energy: 0.5615431149088368
Energy: 0.5628708060735469
Energy: 0.5492367399934556
Energy: 0.5598936805143356
Energy: 0.6954936513899449
Energy: 0.5541761419658204
Energy: 0.5507444716295173
Energy: 0.5817213064497359
Energy: 0.5497857184864708
Energy: 0.5733251498612338
Energy: 0.6153249905192337
Energy: 0.5540419114214653
Energy: 0.5557789200124167
Energy: 0.5715262354689767
Energy: 0.5499771189285564
Energy: 0.5702858570916615
Energy: 0.6142634721753853
Energy: 0.5766943534827532
Energy: 0.5659458336691005
Energy: 0.573415050677222
Energy: 0.5740740650092692
Energy: 0.5673890895490212
Energy: 0.6232731489337103
Energy: 0.49655243219241746
Energy: 0.4947133605736815
Energy: 0.5690413369370246
Energy: 0.4965719274236851
Energy: 0.4952353551110781
Energy: 0.5613632747071866
Energy: 0.4959197524882849
Energy: 0.4953227414557468
Energy: 0.5529047946021766
Energy: 0.49596128140910484
Energy: 0.5546675035212544
Energy: 0.5644609142580451
Energy: 0.5748438893288573
Energy: 0.5496139660694723
Energy: 0.5648380821957768
Energy: 0.5724437872749073
Energy: 0.5482556110286245
Energy: 0.5624350752816021
Energy: 0.5393047029903753
Energy: 0.5505163417414295
Energy: 0.5476461427717556
Energy: 0.5351259099259178
Energy: 0.556297840145408
Energy: 0.6039268739679091
Energy: 0.5739641783490341
Energy: 0.5681189053466514
Energy: 0.5406610941320896
Energy: 0.5712163891554011
Energy: 0.5612023211598829
Energy: 0.6032762666065888
Energy: 0.5623513278320558
Energy: 0.5626855331904166
Energy: 0.5626462302807622
Energy: 0.5657552478331255
Energy: 0.5643671057704963
Energy: 0.6043252530142744
Energy: 0.5294999946733607
Energy: 0.49564053357473725
Energy: 0.5071936323819731
Energy: 0.5344098135478065
Energy: 0.5778844389382898
Energy: 0.6508100357514628
Energy: 0.5271043533671325
Energy: 0.5313026267784685
Energy: 0.5498721122081461
Energy: 0.5268579687471941
Energy: 0.533977953121622
Energy: 0.646926662553968
Energy: 0.5281546975890579
Energy: 0.5322482860761472
Energy: 0.5502406369736395
Energy: 0.5295695754747445
Energy: 0.5563462844965641
Energy: 0.6943273157400042
Energy: 0.5363001936635378
Energy: 0.5298561073261386
Energy: 0.5399832792644165
Energy: 0.5351149855384152
Energy: 0.530103088663789
Energy: 0.8132426074222645
Energy: 0.523715858733514
Energy: 0.495711352882329
Energy: 0.49565286997462793
Energy: 0.5204056999844823
Energy: 0.5198265868200305

minimum gb energy = 0.48746144840356115 eV
minimum distance =  2.61235710034853 Angstroms
sigma value = 51


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

Energy: 0.8225124431143551
Energy: 0.5280632601633091
Energy: 0.5221453454792911
Energy: 0.5427813738956767
Energy: 0.523676541906157
Energy: 0.5438068173315166
Energy: 0.6266486504690518
Energy: 0.5278936917762831
Energy: 0.5121038096645588
Energy: 0.5504552680505972
Energy: 0.5282135265258294
Energy: 0.5117569950200046
Energy: 0.7197398191836466
Energy: 0.5225164906273106
Energy: 0.5164966018344893
Energy: 0.5239996337363344
Energy: 0.528101436943651
Energy: 0.5136062036599749
Energy: 0.720339473292809
Energy: 0.5155207457073105
Energy: 0.5152472498949763
Energy: 0.522582385659155
Energy: 0.5160773177307965
Energy: 0.5245681262779641
Energy: 0.6268175231436625
Energy: 0.5321341069915351
Energy: 0.534027693933018
Energy: 0.5477683233925487
Energy: 0.5333814666481657
Energy: 0.5333498234714286
Energy: 0.6295058470397874
Energy: 0.5312070975033382
Energy: 0.5310095075734923
Energy: 0.5320435774297101
Energy: 0.5312706215798906
Energy: 0.5317622455652882
Energy: 0.6291560848662492
Energy: 0.531423369113381
Energy: 0.5316595053629579
Energy: 0.533114456473743
Energy: 0.5134475539109952
Energy: 0.5316308839763942
Energy: 0.6178043617446856
Energy: 0.5106956921270224
Energy: 0.5104948313749559
Energy: 0.5163403275818407
Energy: 0.5096737985514679
Energy: 0.5107788588722573
Energy: 0.5334451396935167
Energy: 0.509364070528515
Energy: 0.5095509130508141
Energy: 0.5286860614353911
Energy: 0.5092397280745674
Energy: 0.5249840624840969
Energy: 0.5337532793257904
Energy: 0.5269681339061746
Energy: 0.5136592593725393
Energy: 0.5283389447089624
Energy: 0.5145692070277622
Energy: 0.5117101119239804
Energy: 0.5343888734793608
Energy: 0.5137036917573443
Energy: 0.513769563992205
Energy: 0.529274555867458
Energy: 0.5107295195806569
Energy: 0.5140755427940388
Energy: 0.561467731789162
Energy: 0.5647851007395908
Energy: 0.5272406412335028
Energy: 0.5213481459338256
Energy: 0.5250819225699572
Energy: 0.5120399634408922
Energy: 0.5616211953693222
Energy: 0.517240264419132
Energy: 0.5179011693792841
Energy: 0.53359481637514
Energy: 0.5167961747234453
Energy: 0.5178659902360346
Energy: 0.5617297400945487
Energy: 0.5231372274491131
Energy: 0.4991719695155097
Energy: 0.5181104257029944
Energy: 0.5319108817248164
Energy: 0.4994404366086939
Energy: 0.6636186160227119
Energy: 0.5194481653980332
Energy: 0.5179345899784129
Energy: 0.5196357093116328
Energy: 0.5233934945313922
Energy: 0.5179576181284301
Energy: 0.6647898827247654
Energy: 0.5181163337188733
Energy: 0.5185551055824338
Energy: 0.5290539414809928
Energy: 0.5177942893353278
Energy: 0.5283413591991396
Energy: 0.6719213694772035
Energy: 0.5257288348369537
Energy: 0.5180836571877298
Energy: 0.5250458018536667
Energy: 0.5260215659082047
Energy: 0.5182189365555384
Energy: 0.7747307999789235
Energy: 0.5209302515181213
Energy: 0.5167287166075094
Energy: 0.5112856307727945
Energy: 0.5208346645373182
Energy: 0.5259454252492083

minimum gb energy = 0.4991719695155097 eV
minimum distance =  2.65300076076507 Angstroms
sigma value = 19


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

Energy: 0.6841129167753756
Energy: 0.4918680598779731
Energy: 0.4887713149312544
Energy: 0.49027595552103453
Energy: 0.49185508816811646
Energy: 0.48919747824855997
Energy: 0.5927603122403288
Energy: 0.49097708580126725
Energy: 0.47831839428273387
Energy: 0.4949758464837944
Energy: 0.5056877542887601
Energy: 0.4775911238032817
Energy: 0.733692950397178
Energy: 0.49080158427412046
Energy: 0.4906470193341289
Energy: 0.4779537674674191
Energy: 0.5051078396278914
Energy: 0.4773324522058117
Energy: 0.5875555287577955
Energy: 0.49018141599476023
Energy: 0.47817204633916044
Energy: 0.5045309247860801
Energy: 0.5584040450071985
Energy: 0.47802781355638896
Energy: 0.5922135157809016
Energy: 0.5054848885480149
Energy: 0.4953666521447541
Energy: 0.49504245056329516
Energy: 0.5088210807624176
Energy: 0.49486441947487186
Energy: 0.5919688297593615
Energy: 0.4599766612529983
Energy: 0.49426619619191753
Energy: 0.5093949563894502
Energy: 0.4940908251502633
Energy: 0.4945846963459182
Energy: 0.598285803450987
Energy: 0.4953087119939519
Energy: 0.49364735518947
Energy: 0.5087866332110474
Energy: 0.46798218223818183
Energy: 0.49395553531918857
Energy: 0.5540697377780742
Energy: 0.460385050797307
Energy: 0.46076327261929395
Energy: 0.5577500351715609
Energy: 0.4601291972216595
Energy: 0.46056916202643655
Energy: 0.505130547895256
Energy: 0.4607403456311618
Energy: 0.46040953039213456
Energy: 0.5051455369618965
Energy: 0.4605573500757869
Energy: 0.4603019775031275
Energy: 0.505228743758959
Energy: 0.47732312343834515
Energy: 0.4773481230700152
Energy: 0.5056300623296556
Energy: 0.49532884879141725
Energy: 0.47752652920259286
Energy: 0.5040087843119376
Energy: 0.4898162130141663
Energy: 0.4903599773303152
Energy: 0.5045375407403948
Energy: 0.5037031641400735
Energy: 0.49182053059421693
Energy: 0.5922372224031811
Energy: 0.509985788403935
Energy: 0.5113958551699341
Energy: 0.49118007882208187
Energy: 0.4951247158291734
Energy: 0.4780081739506102
Energy: 0.4922163724341984
Energy: 0.49599435582395246
Energy: 0.49556748433955156
Energy: 0.4937108042846229
Energy: 0.5083209585432921
Energy: 0.4958743163373949
Energy: 0.5924326388674755
Energy: 0.5094487785985072
Energy: 0.49532731870089447
Energy: 0.49173862278876324
Energy: 0.5096414999749437
Energy: 0.4955447483681001
Energy: 0.679281864326581
Energy: 0.49060112520537813
Energy: 0.49074188795521945
Energy: 0.4607077773567683
Energy: 0.4903624435676537
Energy: 0.4602450766633412
Energy: 0.6799725492310149
Energy: 0.49291422343945146
Energy: 0.46062983734409263
Energy: 0.4601471463130769
Energy: 0.5053918310844078
Energy: 0.46065827273977417
Energy: 0.5924315158499474
Energy: 0.49203648492857627
Energy: 0.4916144682659326
Energy: 0.49561787720050104
Energy: 0.5049431489194095
Energy: 0.47734123165952674
Energy: 0.5874990427261207
Energy: 0.4903497283760495
Energy: 0.47757553528217317
Energy: 0.5037361606397512
Energy: 0.5050604050979428
Energy: 0.47691474385061056
Energy: 0.5868828364025028
Energy: 0.49050978727475575
Energy: 0.4906962096240735
Energy: 0.5037674273111108
Energy: 0.49050382898192707
Energy: 0.47759658834318464
Energy: 0.5927009470635073
Energy: 0.4598994013738824
Energy: 0.49515541433830584
Energy: 0.495623422861582
Energy: 0.49381388331588505
Energy: 0.49511716626898256
Energy: 0.5892295840062688
Energy: 0.494802250196916
Energy: 0.4963676001377749
Energy: 0.5095421040362301
Energy: 0.5088215770592663
Energy: 0.5077952408187553
Energy: 0.5923473707445178
Energy: 0.4951812594216433
Energy: 0.49490862005441316
Energy: 0.5101027605523095
Energy: 0.5444682346594489
Energy: 0.49493905642974517
Energy: 0.5549563933492792
Energy: 0.4613183783822355
Energy: 0.4896943490917659
Energy: 0.5087361201215749
Energy: 0.46071274192560807
Energy: 0.4890800321194362
Energy: 0.5058361252875089
Energy: 0.4782924789449929
Energy: 0.4774686197651421
Energy: 0.505993517830805
Energy: 0.4836625066729215
Energy: 0.47825624272719425
Energy: 0.5051868772452534
Energy: 0.4776654249344701
Energy: 0.47742370309726007
Energy: 0.5053745325918421
Energy: 0.4777927629598667
Energy: 0.47724258775276207
Energy: 0.5564018057196675
Energy: 0.4898518168161737
Energy: 0.49150446754599747
Energy: 0.5571448676506235
Energy: 0.5039409918632383
Energy: 0.47794493763101625
Energy: 0.5929061443015131
Energy: 0.4951141152953635
Energy: 0.49594861052267064
Energy: 0.5086761316214237
Energy: 0.49477874869766825
Energy: 0.4954040073703869
Energy: 0.4957559775006854
Energy: 0.49470306218898713
Energy: 0.4940017916863132
Energy: 0.4930427268179769
Energy: 0.5094726495124166
Energy: 0.4950724447024048
Energy: 0.5562095031573124
Energy: 0.5094141671263885
Energy: 0.509144287341176
Energy: 0.4683454897583273
Energy: 0.5092412320403754
Energy: 0.49339712354828125
Energy: 0.6809548540439421
Energy: 0.47730642078045815
Energy: 0.46059763409724686
Energy: 0.4601615975143807
Energy: 0.49014252581226747
Energy: 0.46054492817710324

minimum gb energy = 0.4598994013738824 eV
minimum distance =  2.68664628749315 Angstroms
sigma value = 27


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

Energy: 0.609817417443053
Energy: 0.4963818273366317
Energy: 0.5106252276379355
Energy: 0.43524822344871217
Energy: 0.49656832354965297
Energy: 0.5116883970729926
Energy: 0.5869765543599462
Energy: 0.46961520757615055
Energy: 0.44914441822059037
Energy: 0.49053532196327515
Energy: 0.49519347036794753
Energy: 0.4495189260897779
Energy: 0.5419995301880423
Energy: 0.4853439034630308
Energy: 0.46048363965798184
Energy: 0.44989760756218783
Energy: 0.48492083049226486
Energy: 0.46041978105137027
Energy: 0.6854737561943255
Energy: 0.4734519039197617
Energy: 0.4722748993878241
Energy: 0.46801486377264123
Energy: 0.5147752852670395
Energy: 0.450010410086452
Energy: 0.5862965601460249
Energy: 0.4376119495704645
Energy: 0.455808407849091
Energy: 0.5189814466627037
Energy: 0.4377685754693085
Energy: 0.4487088681129955
Energy: 0.49655018036897947
Energy: 0.4377337196921751
Energy: 0.4376916836761549
Energy: 0.4963014936347316
Energy: 0.45126974704206724
Energy: 0.43767776599545566
Energy: 0.497189902857997
Energy: 0.4700447172771009
Energy: 0.46941655796667864
Energy: 0.49797969591158037
Energy: 0.4758444756127756
Energy: 0.4695043075723639
Energy: 0.49501993236929104
Energy: 0.45982388378603395
Energy: 0.4591137534313201
Energy: 0.49533193651669244
Energy: 0.4590139073798201
Energy: 0.48420026341121264
Energy: 0.5422980489529734
Energy: 0.4564889559622691
Energy: 0.45052935680513223
Energy: 0.49510515383416
Energy: 0.46350073416455073
Energy: 0.46363636517441403
Energy: 0.5422219900284916
Energy: 0.4602450151427889
Energy: 0.4592957872868529
Energy: 0.49766841020729224
Energy: 0.4614098122125121
Energy: 0.45949795155801065
Energy: 0.5421448263836773
Energy: 0.47448574705397367
Energy: 0.47431199046588585
Energy: 0.4705392274058248
Energy: 0.506823173869764
Energy: 0.4740263593166204
Energy: 0.5426726859193466
Energy: 0.44966056410446237
Energy: 0.44739901808206234
Energy: 0.48936029314818186
Energy: 0.4723321772138579
Energy: 0.44818771368384847

minimum gb energy = 0.43524822344871217 eV
minimum distance =  2.70762752187822 Angstroms
sigma value = 9


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

Energy: 1.0230511520623824
Energy: 0.4286373929616236
Energy: 0.4392078708601066
Energy: 0.4482019739222653
Energy: 0.4282149445194701
Energy: 0.4356170477784682
Energy: 0.4946352014238805
Energy: 0.42003472618700466
Energy: 0.4294705937139202
Energy: 0.4306329912535333
Energy: 0.42974970615464514
Energy: 0.4227260865103844
Energy: 0.46626491135684445
Energy: 0.4287950860005754
Energy: 0.4052418901256117
Energy: 0.4393184432482824
Energy: 0.4259674135359876
Energy: 0.4058109985600173
Energy: 0.46789586129482547
Energy: 0.4288530799368124
Energy: 0.4081687850823066
Energy: 0.4399829621881924
Energy: 0.4371187221705712
Energy: 0.40822501152672874
Energy: 0.492389433348376
Energy: 0.41337598285242977
Energy: 0.4290430317947687
Energy: 0.43014097376877813
Energy: 0.4110744213324069
Energy: 0.4269943614440974
Energy: 0.4437803256670463
Energy: 0.39394736583238243
Energy: 0.4370186754026333
Energy: 0.443734156058378
Energy: 0.42911637037772427
Energy: 0.43960532406687625
Energy: 0.4312309484499045
Energy: 0.3993629883402543
Energy: 0.4293889925071015
Energy: 0.43230096307761934
Energy: 0.41956689810206627
Energy: 0.430929418791708
Energy: 0.43466160269777415
Energy: 0.41932655249509254
Energy: 0.41704923980936937
Energy: 0.43418683420959847
Energy: 0.4441307991835343
Energy: 0.4250600170575207
Energy: 0.5301007273766091
Energy: 0.43587292213598056
Energy: 0.43231458745965573
Energy: 0.44225600956866107
Energy: 0.42507483970665155
Energy: 0.4351483611041397
Energy: 0.7040153469797913
Energy: 0.4261304284065293
Energy: 0.4277367035151546
Energy: 0.43512674186261474
Energy: 0.43883511088078
Energy: 0.4118169908492297
Energy: 0.42482511984589083
Energy: 0.43051411974428333
Energy: 0.41707740406261995
Energy: 0.4311674401881984
Energy: 0.43031184297528324
Energy: 0.436658646735785
Energy: 0.5311275532771889
Energy: 0.43105395112363204
Energy: 0.43184312128974345
Energy: 0.41334153819928265
Energy: 0.4303296888640859
Energy: 0.40371556567173206
Energy: 0.5469080298988329
Energy: 0.43103362921998406
Energy: 0.41987113088829714
Energy: 0.44254017749061986
Energy: 0.5269915439521338
Energy: 0.4302321353394116
Energy: 0.5402320130355363
Energy: 0.434503252894186
Energy: 0.43643958652670395
Energy: 0.4128855322189682
Energy: 0.43019049674342486
Energy: 0.4005991789516389
Energy: 0.43125888924364864
Energy: 0.4460005720139984
Energy: 0.4435875477819649
Energy: 0.43328657712479374
Energy: 0.44867534854873925
Energy: 0.4289546819772336
Energy: 0.43232429279565204
Energy: 0.4374123622787135
Energy: 0.433287590407343
Energy: 0.43301380235195236
Energy: 0.4468683637603783
Energy: 0.43436635956560643
Energy: 0.4325066344815171
Energy: 0.4090927646020908
Energy: 0.41194289764788306
Energy: 0.4324106021387956
Energy: 0.408189645534807
Energy: 0.4302284156986872
Energy: 0.49547841224993394
Energy: 0.4073438572933709
Energy: 0.42481183904751363
Energy: 0.4321212627813577
Energy: 0.44253084893742767
Energy: 0.4376394008737302
Energy: 0.46861336275759696
Energy: 0.4329262532175225
Energy: 0.42297407030866546
Energy: 0.4361047976779345
Energy: 0.43072185794004997
Energy: 0.4379474156293539
Energy: 0.465857214907951
Energy: 0.4346732484123574
Energy: 0.43526795596826573
Energy: 0.43145588662276374
Energy: 0.4321665502475236
Energy: 0.43612967654823104
Energy: 0.46562254917183304
Energy: 0.4292680989944821
Energy: 0.4292077865048851
Energy: 0.42625450839807444
Energy: 0.4360209302019867
Energy: 0.4316118755850504
Energy: 0.5001573656961509
Energy: 0.4394566489955361
Energy: 0.43712821892827736
Energy: 0.4458754048726504
Energy: 0.4212744734209948
Energy: 0.439595941228488
Energy: 0.49683890986498036
Energy: 0.4197659767721733
Energy: 0.4403223249123558
Energy: 0.4178244157351254
Energy: 0.4218831113636544
Energy: 0.4042238007135176
Energy: 0.4658301513305092
Energy: 0.4326044740739602
Energy: 0.4351421387269793
Energy: 0.44020680010828916
Energy: 0.43410545214519825
Energy: 0.4343247335111195
Energy: 0.6265234958623912
Energy: 0.43766127614440536
Energy: 0.42922762270965303
Energy: 0.44073754740214566
Energy: 0.434955624231686
Energy: 0.44742602066582854
Energy: 0.46602538175488983
Energy: 0.40865889997171884
Energy: 0.40997969673190854
Energy: 0.4300639407319079
Energy: 0.4135710983920648
Energy: 0.43465467819829956
Energy: 0.4182702445497484
Energy: 0.39473999879860794
Energy: 0.4249518888741016
Energy: 0.4187354778232866
Energy: 0.40478335650881064
Energy: 0.4139235475146001
Energy: 0.43020921097670317
Energy: 0.40923020979522895
Energy: 0.4011344108185325
Energy: 0.43016188448511705
Energy: 0.4164634862916499
Energy: 0.42923804951767214
Energy: 0.43606463210209867
Energy: 0.4295844530085003
Energy: 0.437347068332133
Energy: 0.4303757675601768
Energy: 0.4274512326582273
Energy: 0.4170250534376076
Energy: 0.41954369494370963
Energy: 0.4231677174361911
Energy: 0.42292038737175325
Energy: 0.4451975372900143
Energy: 0.43596406769143914
Energy: 0.42574405555363387
Energy: 0.42476352206198387
Energy: 0.4270894534362137
Energy: 0.4349930366507071
Energy: 0.4302977227748974
Energy: 0.4253299941667974
Energy: 0.4354330883142694
Energy: 0.6025158947420163
Energy: 0.4253092728452703
Energy: 0.4299339192480714
Energy: 0.4345399352951187
Energy: 0.42396250622584447
Energy: 0.41144962347072755
Energy: 0.5418512521048208
Energy: 0.43695565758524263
Energy: 0.4343031491889745
Energy: 0.44593023239518464
Energy: 0.4323866464352799
Energy: 0.4295131051612358
Energy: 0.5507790604431735
Energy: 0.4298827000562342
Energy: 0.43198143155192326
Energy: 0.44696781060926144
Energy: 0.4295410131914933
Energy: 0.4252449517695388
Energy: 0.461600626268033
Energy: 0.4369445019654462
Energy: 0.4352980260422233
Energy: 0.4241835423105469
Energy: 0.4313104691965031
Energy: 0.42763093113670636
Energy: 0.541307600728835
Energy: 0.44378412845751813
Energy: 0.40162495893111017
Energy: 0.4367564399242941
Energy: 0.4444668260620235
Energy: 0.4083968186021266
Energy: 0.43131913929616505
Energy: 0.4410202840298817
Energy: 0.43533414121072056
Energy: 0.42568156375681976
Energy: 0.4431392346157986
Energy: 0.4050423962020791
Energy: 0.4308132134527188
Energy: 0.42646554509877477
Energy: 0.4220277861218273
Energy: 0.43125885675049336
Energy: 0.4319187534706084
Energy: 0.4241705590172769
Energy: 0.4550908502428274
Energy: 0.4311229086478338
Energy: 0.42289223045216967
Energy: 0.42303215819069034
Energy: 0.4352030544999329
Energy: 0.42593618473558115
Energy: 0.46723235836833293
Energy: 0.42662425123581194
Energy: 0.43547437267083405
Energy: 0.42990508772340813
Energy: 0.42675335536401626
Energy: 0.42518701936163683
Energy: 0.4648987985201613
Energy: 0.43774039989043656
Energy: 0.439200721071488
Energy: 0.43101085137023826
Energy: 0.4285624794889411
Energy: 0.43467626732497955
Energy: 0.4653631291026922
Energy: 0.4309283407117687
Energy: 0.4328105501623784
Energy: 0.4278894279651118
Energy: 0.4374443240153658
Energy: 0.4282831681128711
Energy: 0.49660876209663524
Energy: 0.43691232221657655
Energy: 0.4386181788326048
Energy: 0.41723644312787356
Energy: 0.4243054095577008
Energy: 0.4043427981682053

minimum gb energy = 0.39394736583238243 eV
minimum distance =  2.66169558755185 Angstroms
sigma value = 57


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

Energy: 0.391618230845862
Energy: 0.3301173507180973
Energy: 0.2187546154560905
Energy: 0.2044343880776639
Energy: 0.3566961289108185
Energy: 0.36627247377737454
Energy: 0.47932977611956223
Energy: 0.33580205273208624
Energy: 0.3768349353696801
Energy: 0.33613862617701984
Energy: 0.3341914480013333
Energy: 0.3662109091319054
Energy: 0.48139624835195866
Energy: 0.46650611180757967
Energy: 0.34505963177172805
Energy: 0.3518805696545378
Energy: 0.3447832575279584
Energy: 0.4698908549891325
Energy: 0.48118629251689815
Energy: 0.4641884546150768
Energy: 0.36698807453918564
Energy: 0.46423577385695647
Energy: 0.4610256883494282
Energy: 0.451731785078468
Energy: 0.4798082563618096
Energy: 0.2918245882099969
Energy: 0.28837581469660173
Energy: 0.4612847009735072
Energy: 0.20495063136062724
Energy: 0.4623630899133888
Energy: 0.4475068685224511
Energy: 0.2993074456369316
Energy: 0.3005784897343389
Energy: 0.4487845435268979
Energy: 0.20812377446425082
Energy: 0.21701056401271573
Energy: 0.4509580423566942
Energy: 0.45953998312085026
Energy: 0.45675364538019286
Energy: 0.4497042390743346
Energy: 0.4671587048343722
Energy: 0.45926099946232424
Energy: 0.5396688244894542
Energy: 0.5148078264852677
Energy: 0.5258484416191666
Energy: 0.5005532555594815
Energy: 0.47027159630816906
Energy: 0.46144914629667383
Energy: 0.5162632514228773
Energy: 0.5089105409907514
Energy: 0.5138755455455383
Energy: 0.5210967976552584
Energy: 0.5196715037917491
Energy: 0.5167082205120362
Energy: 0.2088028287946971
Energy: 0.521518354729604
Energy: 0.22052842072411333
Energy: 0.20893870421788138
Energy: 0.5306669567697109
Energy: 0.2186392563374202
Energy: 0.2046084809539294
Energy: 0.5143413779814443
Energy: 0.5212196134945667
Energy: 0.20480357933911433
Energy: 0.5093704079352614
Energy: 0.22162657471596972
Energy: 0.5280971158488089
Energy: 0.5178209320123357
Energy: 0.5114471320273228
Energy: 0.5112035799873894
Energy: 0.5149304124781993
Energy: 0.5076358996106494
Energy: 0.5334577283392987
Energy: 0.45549884864052814
Energy: 0.45797346523663246
Energy: 0.4741564695731053
Energy: 0.5250107842720761
Energy: 0.522141301435252
Energy: 0.5001482990862036
Energy: 0.46272505947521025
Energy: 0.4701076614995629
Energy: 0.44110853040169273
Energy: 0.4627744595607904
Energy: 0.46914883323111195
Energy: 0.4705014167559966
Energy: 0.20767678422470257
Energy: 0.2176666262622606
Energy: 0.45732309130305315
Energy: 0.29549313728693616
Energy: 0.2931226011709258
Energy: 0.4610959411365408
Energy: 0.46361996442689046
Energy: 0.4621793446768183
Energy: 0.4622790265923752
Energy: 0.29741047841102164
Energy: 0.4595025945673098
Energy: 0.4626534181843269
Energy: 0.45695162288666535
Energy: 0.46170710627607275
Energy: 0.46280302798887996
Energy: 0.505855322690739
Energy: 0.476763197380456
Energy: 0.4811241139260174
Energy: 0.4725118576480395
Energy: 0.35601890990875795
Energy: 0.3447276527789492
Energy: 0.3310629706982387
Energy: 0.4583221476063084
Energy: 0.3854888638272142
Energy: 0.3821390711575462
Energy: 0.3309143523148802
Energy: 0.20489725490361396
Energy: 0.3959584656999414
Energy: 0.36836822980887746

minimum gb energy = 0.2044343880776639 eV
minimum distance =  2.66351428999784 Angstroms
sigma value = 11


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

Energy: 0.8347316013380451
Energy: 0.41891499405897253
Energy: 0.40457838548329256
Energy: 0.36674738850418215
Energy: 0.41841017385916784
Energy: 0.4069556228928847
Energy: 0.35123974683704
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Energy: 0.35772344237569664
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Energy: 0.3566830535569628
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Energy: 0.35766895950861904
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Energy: 0.36082233635672983
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Energy: 0.35151712867770113
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Energy: 0.3756507425297801
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Energy: 0.39371384876854826
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Energy: 0.39654169900629693
Energy: 0.3877058867384996
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Energy: 0.40175803417105227
Energy: 0.5917056951186972
Energy: 0.3762515870689452
Energy: 0.35934208252610056
Energy: 0.35805176805126704
Energy: 0.40317355524987253
Energy: 0.35974555112319107
Energy: 0.416748941172282
Energy: 0.3893124750984358
Energy: 0.37459107678659004
Energy: 0.37703718038136874
Energy: 0.37377947005210027
Energy: 0.3759376391048823
Energy: 0.4138930830260561
Energy: 0.3738299891688011
Energy: 0.3599828546801421
Energy: 0.3673822119096015
Energy: 0.35976779266649134
Energy: 0.3622598970532411
Energy: 0.4801622569813774
Energy: 0.3596321659551186
Energy: 0.3628760645482044
Energy: 0.3691774705094369
Energy: 0.3628533031021608
Energy: 0.36310382295042726
Energy: 0.5335230909550205
Energy: 0.3778825546581911
Energy: 0.38096993315142214
Energy: 0.37647571746638586
Energy: 0.39428932433571234
Energy: 0.375522408130394
Energy: 0.3722417891804231
Energy: 0.3613256258890765
Energy: 0.3763690624452883
Energy: 0.37714547112112573
Energy: 0.37039386117899165
Energy: 0.386348306404469
Energy: 0.35494997171028553
Energy: 0.37801567667460634
Energy: 0.3814561837400312
Energy: 0.35926572046468574
Energy: 0.37605251081507307
Energy: 0.38070217586872934
Energy: 0.3575630607010704
Energy: 0.3591610049567467
Energy: 0.35802766393189184
Energy: 0.3578855525232047
Energy: 0.3530124475040754
Energy: 0.3575837795102282
Energy: 0.3526427619831998
Energy: 0.3534835120729345
Energy: 0.35880979308168265
Energy: 0.3551453673642235
Energy: 0.3521889945464561
Energy: 0.35990300537351716
Energy: 0.413723624861369
Energy: 0.3638420951861184
Energy: 0.35915211450711076
Energy: 0.39427381372043047
Energy: 0.36738191747140225
Energy: 0.35617644840790014

minimum gb energy = 0.3402983130656047 eV
minimum distance =  2.67376415206423 Angstroms
sigma value = 41


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

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Energy: 0.4800955910442744
Energy: 0.39211030349863185
Energy: 0.3656420245456284
Energy: 0.4866759806828905
Energy: 0.36740558003600926
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Energy: 0.38544520140814703
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Energy: 0.37825994639934657
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Energy: 0.38250468764770823
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Energy: 0.43406678123311543
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Energy: 0.3876672111161416
Energy: 0.386399174712551
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Energy: 0.38312283917990425
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Energy: 0.3791082350760952
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Energy: 0.3780765204823966
Energy: 0.3790863417384873
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Energy: 0.38864910601891534
Energy: 0.3768307324110433
Energy: 0.3824845515554393
Energy: 0.37872016205708187
Energy: 0.3862358925784263
Energy: 0.301335324686493
Energy: 0.3780271691306002
Energy: 0.3883694172433312
Energy: 0.382914467900282
Energy: 0.4332223945555942
Energy: 0.37709952665386304
Energy: 0.38126460950188473
Energy: 0.3882931531046946
Energy: 0.38650029287123133
Energy: 0.3839806163457215
Energy: 0.42045521904762395
Energy: 0.37706745342334275
Energy: 0.37846439682988187
Energy: 0.41843773493708436
Energy: 0.3812543133185667
Energy: 0.40304129399820404
Energy: 0.43399588362112307
Energy: 0.3776498382028423
Energy: 0.3793704963623146
Energy: 0.38701130869727757
Energy: 0.377238433489503
Energy: 0.3824032223956528
Energy: 0.58293431577287
Energy: 0.3805745227742424
Energy: 0.3801563143121869
Energy: 0.38280925399359256
Energy: 0.38410033507495267
Energy: 0.3867913417021147
Energy: 0.5803625262671827
Energy: 0.4132803308120818
Energy: 0.38318140084560764
Energy: 0.39384809642208196
Energy: 0.3807830917834004
Energy: 0.38180253534920555
Energy: 0.43080805703125025
Energy: 0.38099282872301105
Energy: 0.3857656528395379
Energy: 0.38362755162158874
Energy: 0.37235116506398014
Energy: 0.38629253392851354
Energy: 0.37932233151065226
Energy: 0.37621808933131395
Energy: 0.37636631855095043
Energy: 0.373338034652599
Energy: 0.3756574356368634
Energy: 0.3584759219353878
Energy: 0.4195461871621521
Energy: 0.4131775557399267
Energy: 0.3853937605939769
Energy: 0.41785960435609376
Energy: 0.41204883513482615
Energy: 0.3774562674718738
Energy: 0.3882987013070902
Energy: 0.3792647193994454
Energy: 0.38065141782214457
Energy: 0.3824888505537022
Energy: 0.38272412746779944
Energy: 0.3842321944523483
Energy: 0.37848276307198364
Energy: 0.3884485101279053
Energy: 0.38785145120588543
Energy: 0.3788403554423256
Energy: 0.37926287763256006
Energy: 0.3795272241434959
Energy: 0.7591942399942561
Energy: 0.3833866911955215
Energy: 0.43157973421579204
Energy: 0.3675340482893186
Energy: 0.38723045224674935
Energy: 0.38783999355534704

minimum gb energy = 0.301335324686493 eV
minimum distance =  2.63948729770807 Angstroms
sigma value = 33


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

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Energy: 0.39929051402305454
Energy: 0.3953863858869603
Energy: 0.4720837748898287
Energy: 0.4548774161383786
Energy: 0.39707821150371486
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Energy: 0.40890748806567023
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Energy: 0.42281710207985035
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Energy: 0.4172839850584405
Energy: 0.40027111465391824
Energy: 0.41909745504060353
Energy: 0.41101037675652313
Energy: 0.40088955304810814
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Energy: 0.38676990153359037
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Energy: 0.4139463490812461
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Energy: 0.4168784813360855
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Energy: 0.41070182788810106
Energy: 0.4156452308126946
Energy: 0.4042908175390076
Energy: 0.4123067549502895
Energy: 0.40225752725789193
Energy: 0.4089230719802314
Energy: 0.40800306291738664
Energy: 0.45006414851713916
Energy: 0.4047802196123957
Energy: 0.4226950946078973
Energy: 0.39338919295306435
Energy: 0.40531032474031525
Energy: 0.3868299515347046

minimum gb energy = 0.3852014433780975 eV
minimum distance =  2.65576117915078 Angstroms
sigma value = 67


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

Energy: 0.5429766812754608
Energy: 0.4297334292909706
Energy: 0.4084828628247178
Energy: 0.4086328612974303
Energy: 0.44827773489161554
Energy: 0.4084608456853573
Energy: 0.43669463423721566
Energy: 0.40678252607195414
Energy: 0.4060385261439722
Energy: 0.40627259895696666
Energy: 0.4089770000740462
Energy: 0.4058803080479946
Energy: 0.4612240001029705
Energy: 0.409621767544843
Energy: 0.4291860832808375
Energy: 0.4225035873997791
Energy: 0.4114961164640681
Energy: 0.42873774940499565
Energy: 0.43752749449758604
Energy: 0.4059357859871176
Energy: 0.40577233698916804
Energy: 0.4070888799294859
Energy: 0.40536328885561884
Energy: 0.4055969893427344
Energy: 0.4365328958874912
Energy: 0.40651868132225555
Energy: 0.40612964875987584
Energy: 0.4144541566052392
Energy: 0.40629421535898347
Energy: 0.4143031109885458
Energy: 0.44506854052519795
Energy: 0.4080025086984671
Energy: 0.41010397973415497
Energy: 0.44663031072710496
Energy: 0.4089288812948663
Energy: 0.41124378771865044
Energy: 0.47605556683151873
Energy: 0.40753259231661954
Energy: 0.4061215469805614
Energy: 0.3873963234663274
Energy: 0.4090108715698761
Energy: 0.40674594003845116

minimum gb energy = 0.3873963234663274 eV
minimum distance =  2.71690076540526 Angstroms
sigma value = 3


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

Energy: 0.6952283216940132
Energy: 0.5458738615117692
Energy: 0.47112220249497405
Energy: 0.4535783779977733
Energy: 0.8189252122996842
Energy: 0.46975551076954714
Energy: 0.4495004754646435
Energy: 0.45171517058133376
Energy: 0.453026396923803
Energy: 0.4720074137051451
Energy: 0.47863619759844017
Energy: 0.45318901423892716
Energy: 0.517215948476047
Energy: 0.45497759854714787
Energy: 0.45446277389619727
Energy: 0.5178236915098517
Energy: 0.4540167931424486
Energy: 0.45139029996367314
Energy: 0.4502666832285799
Energy: 0.45102638126599903
Energy: 0.44987065310925767
Energy: 0.45113378802105103
Energy: 0.45511117976648485
Energy: 0.45036615391449236
Energy: 0.45921523232103834
Energy: 0.46938960398022406
Energy: 0.44997610748795613
Energy: 0.45957203381286743
Energy: 0.46985199628497964
Energy: 0.44950099440046
Energy: 0.4509474515740969
Energy: 0.47006481741588296
Energy: 0.4511817764678498
Energy: 0.45007943363089736
Energy: 0.4710420837612899
Energy: 0.4508776017485653
Energy: 0.45030986698444603
Energy: 0.4688040160010644
Energy: 0.47194475668255453
Energy: 0.4572727128136336
Energy: 0.4857416815969706
Energy: 0.47076861903346734
Energy: 0.5621183285283498
Energy: 0.504329978301491
Energy: 0.5037486656778974
Energy: 0.45513100637238957
Energy: 0.5149862556128997
Energy: 0.4596094905150207
Energy: 0.452578167022964
Energy: 0.4607037407154333
Energy: 0.46527213802097744
Energy: 0.4583431695210954
Energy: 0.46135942982630584
Energy: 0.4684321295033284
Energy: 0.5184299959744968
Energy: 0.47966414591901163
Energy: 0.4446635755708992
Energy: 0.48651135225511205
Energy: 0.44341631466713216
Energy: 0.46761030443698903
Energy: 0.46069886433906204
Energy: 0.45097284444580976
Energy: 0.46945385635429704
Energy: 0.46073422091744365
Energy: 0.4468807485627625
Energy: 0.4691873591076928
Energy: 0.4946666688691159
Energy: 0.4597421351781427
Energy: 0.45092239894175185
Energy: 0.4685387765987975
Energy: 0.462497359729614
Energy: 0.4695486161746618
Energy: 0.4683143195769158
Energy: 0.45085081013593375
Energy: 0.4524495736587373
Energy: 0.47087474506011934
Energy: 0.45005852318389716
Energy: 0.4506683730282109
Energy: 0.46971163168091
Energy: 0.45381367680642626
Energy: 0.4506829211898061
Energy: 0.4697194393297711
Energy: 0.4508221571461374
Energy: 0.4501655107202176
Energy: 0.49780567166662953
Energy: 0.5265420732852927
Energy: 0.48022571038169015
Energy: 0.4692562816164276
Energy: 0.5254056554849748
Energy: 0.4517406337360159
Energy: 0.46802225053378876
Energy: 0.45437650154233966
Energy: 0.4514962542143505
Energy: 0.45727352479124805
Energy: 0.4524694471878656
Energy: 0.45114264532479886
Energy: 0.5592666248147066
Energy: 0.4510505552970619
Energy: 0.4508825268916163
Energy: 0.4929565718625603
Energy: 0.45120998140968993
Energy: 0.47892481673961584
Energy: 0.4646889056276714
Energy: 0.48203491160349865
Energy: 0.4705847367368946
Energy: 0.45296112586024456
Energy: 0.46595892562948626
Energy: 0.4581329886385064
Energy: 0.4728008678947423
Energy: 0.453549337076493
Energy: 0.45131260385919064
Energy: 0.4432216144963802
Energy: 0.4874261484227634
Energy: 0.4439648083986117
Energy: 0.5263504167903564
Energy: 0.4566815471721064
Energy: 0.4573795451769597
Energy: 0.44270445861857943
Energy: 0.4565332684883781
Energy: 0.443849395632551
Energy: 0.4734303683428129
Energy: 0.4678078068097605
Energy: 0.47051839374426224
Energy: 0.4594077556721693
Energy: 0.4672012246811715
Energy: 0.45837667078852073
Energy: 0.45806098063545875
Energy: 0.5191386275097701
Energy: 0.513975474529687
Energy: 0.46080111878124164
Energy: 0.5220522463980592
Energy: 0.5089961428129364
Energy: 0.4627676577429073
Energy: 0.45929610557468736
Energy: 0.45914697375261354
Energy: 0.46303507079989326
Energy: 0.4669091629455548
Energy: 0.4648208734392532
Energy: 0.45756526377440593
Energy: 0.4843040898136982
Energy: 0.4503632812762526
Energy: 0.45834613147413367
Energy: 0.4870407217015166
Energy: 0.4595576593749391
Energy: 0.45101233934894625
Energy: 0.4634994580334027
Energy: 0.4508774726083112
Energy: 0.45180768142926303
Energy: 0.4573947033083542
Energy: 0.45011213970899694
Energy: 0.5991366545620367
Energy: 0.47405524020130124
Energy: 0.45877760757523417
Energy: 0.46270673922521305
Energy: 0.4802959362745263
Energy: 0.464748115786937
Energy: 0.44539600843323807
Energy: 0.4898926591937737
Energy: 0.47414448333897913
Energy: 0.4637013586047857
Energy: 0.4793759430171694
Energy: 0.464820986068057
Energy: 0.45206884207577647
Energy: 0.4509313793973434
Energy: 0.45006241512975653
Energy: 0.45246396472642575
Energy: 0.4682842316178867
Energy: 0.45142482139557355
Energy: 0.45746318492568927
Energy: 0.45516003179696846
Energy: 0.4553226924570868
Energy: 0.4576483739781244
Energy: 0.45446732048938887
Energy: 0.45110239194146523
Energy: 0.45101257003571615
Energy: 0.44898394653576124
Energy: 0.449985403474553
Energy: 0.4514034628090382
Energy: 0.5017030093545991
Energy: 0.44988138803846517
Energy: 0.45215812841594877
Energy: 0.45156164313458685
Energy: 0.45153041682938194
Energy: 0.4520843427193022
Energy: 0.5158534905664822
Energy: 0.4513538936203535
Energy: 0.4561852911481889
Energy: 0.46894524855988634
Energy: 0.4747469818490839
Energy: 0.4601280232247454
Energy: 0.47220677667876076
Energy: 0.4503008038553459
Energy: 0.5627316567469061
Energy: 0.48091916778171323
Energy: 0.47683804012063963
Energy: 0.45135025762599135
Energy: 0.48320948408182773
Energy: 0.45085363752209673
Energy: 0.4595180912013717
Energy: 0.4591842280787785
Energy: 0.45176207519216827
Energy: 0.45546038001780315
Energy: 0.4552043231217515
Energy: 0.4703150168738314
Energy: 0.46139357490614663
Energy: 0.4611920540694332
Energy: 0.46478777215753986
Energy: 0.4597056236372152
Energy: 0.46138818878748966
Energy: 0.45036074400091775
Energy: 0.4956359668690429
Energy: 0.4434014649769405
Energy: 0.4442864280728564
Energy: 0.49443508239325223
Energy: 0.44331909473754094
Energy: 0.46570166645530214
Energy: 0.47033426824151486
Energy: 0.455684318490709
Energy: 0.4510754336359366
Energy: 0.4679410774950639
Energy: 0.4580200295472903
Energy: 0.4728361174888447
Energy: 0.5470914759791377
Energy: 0.5147523185347154
Energy: 0.5181193167245116
Energy: 0.5396923117086125
Energy: 0.5112903315624908
Energy: 0.5205572215769709
Energy: 0.46687950061813693
Energy: 0.4568048103920284
Energy: 0.4601502441161819
Energy: 0.46603725572958793
Energy: 0.4532453301515954
Energy: 0.450144942320563
Energy: 0.4975214957668394
Energy: 0.4578268746801629
Energy: 0.4514500936192064
Energy: 0.46922380688594306
Energy: 0.4560473287955143
Energy: 0.45094219628272286
Energy: 0.49957215514013925
Energy: 0.4527913941923491
Energy: 0.4516484031526512
Energy: 0.45074622804268993
Energy: 0.4511508628136989
Energy: 0.45071598404564994
Energy: 0.48755757241023345
Energy: 0.4673559753104126
Energy: 0.4691688232863897
Energy: 0.457658019247008
Energy: 0.45594153604494736
Energy: 0.46068632005785387
Energy: 0.5355450273085826
Energy: 0.4622706388089366
Energy: 0.4621333953070142
Energy: 0.49038867114381235
Energy: 0.4644633758951663
Energy: 0.48003142241268104
Energy: 0.46493923462615355
Energy: 0.454767180411756
Energy: 0.45051151994623606
Energy: 0.4543584277419339
Energy: 0.45223260567322765
Energy: 0.45075185291328046
Energy: 0.6368360232735444
Energy: 0.45982605607531646
Energy: 0.48925856197031475
Energy: 0.5090137752628743
Energy: 0.4597720041664618
Energy: 0.4917840589568543
Energy: 0.4640537587090581
Energy: 0.4610057027630193
Energy: 0.4630490068154891
Energy: 0.46547626292084177
Energy: 0.46146503185561466
Energy: 0.465738242427913
Energy: 0.52226912064688
Energy: 0.4590609800567287
Energy: 0.4596736857995196
Energy: 0.5169115481019051
Energy: 0.45891309642351014
Energy: 0.46234390460774666
Energy: 0.4571473092495802
Energy: 0.467142449411603
Energy: 0.4595552228564586
Energy: 0.4686887947114225
Energy: 0.46066562218759594
Energy: 0.45855111213446603
Energy: 0.45626406696738253
Energy: 0.45045666246732
Energy: 0.45989224188006866
Energy: 0.45706907004101044
Energy: 0.4502190019120937
Energy: 0.4588510543973047
Energy: 0.45673765978209807
Energy: 0.45108485785481583
Energy: 0.4505641231443076
Energy: 0.4536365483881457
Energy: 0.4508172200026623
Energy: 0.4509019032001115
Energy: 0.45414085277134975
Energy: 0.4608684595807928
Energy: 0.4580556965011769
Energy: 0.45857914960674634
Energy: 0.4524227704616969
Energy: 0.46673470588593313

minimum gb energy = 0.44270445861857943 eV
minimum distance =  2.66205033637809 Angstroms
sigma value = 81


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

Energy: 0.759484919126754
Energy: 0.49886911919644344
Energy: 0.4200604107359808
Energy: 0.4173707069479296
Energy: 0.7488827413874157
Energy: 0.41761240798606175
Energy: 0.423365876829292
Energy: 0.4314827285964837
Energy: 0.4436269128207652
Energy: 0.426629558811195
Energy: 0.4278476769301472
Energy: 0.43799031173224845
Energy: 0.4284164293423206
Energy: 0.42082934603368244
Energy: 0.4435350594397443
Energy: 0.45447717962427203
Energy: 0.41915724640073504
Energy: 0.4449738264501598
Energy: 0.42415903512479586
Energy: 0.4168161268514721
Energy: 0.4430317637563336
Energy: 0.42425385111563735
Energy: 0.41818524186172634
Energy: 0.42422699328939184
Energy: 0.4242081192950953
Energy: 0.44106146287800635
Energy: 0.4406431339950726
Energy: 0.42445094571988323
Energy: 0.445883406801685
Energy: 0.4417653895135462
Energy: 0.4267485788325584
Energy: 0.4443689551518391
Energy: 0.4418776716459409
Energy: 0.43151928210937435
Energy: 0.4420283464444267
Energy: 0.4416350748992002
Energy: 0.42262450607877167
Energy: 0.43833224584978836
Energy: 0.4381228285161244
Energy: 0.427598481731454
Energy: 0.42905697862206427
Energy: 0.4379137322362126
Energy: 0.5039608612082723
Energy: 0.46651195024580355
Energy: 0.5246911744441575
Energy: 0.4374590378616346
Energy: 0.4678934355586108
Energy: 0.4617705106657371
Energy: 0.4236577868156093
Energy: 0.43745969417350533
Energy: 0.43757984671342015
Energy: 0.42666174327913486
Energy: 0.4278575784371434
Energy: 0.43713766776294793
Energy: 0.5151790250636463
Energy: 0.4160025798559498
Energy: 0.41596363063800557
Energy: 0.5148675217634104
Energy: 0.4268999773726581
Energy: 0.4160145855761655
Energy: 0.42995567566992376
Energy: 0.41712098656904506
Energy: 0.4173164543112184
Energy: 0.42954978873979677
Energy: 0.41650061063851307
Energy: 0.4447609930282485
Energy: 0.4179287273601266
Energy: 0.4437428403002271
Energy: 0.4437517682054915
Energy: 0.4175734812619583
Energy: 0.4301518131058759
Energy: 0.4419637171475901
Energy: 0.42033752936882385
Energy: 0.4256523143956014
Energy: 0.44271318740847676
Energy: 0.41925079099353674
Energy: 0.4254557848463711
Energy: 0.44340914181062446
Energy: 0.42698863192554903
Energy: 0.42633727893179063
Energy: 0.42677255091917304
Energy: 0.4273848798677807
Energy: 0.42334123916608624
Energy: 0.4424274684914804
Energy: 0.4316026368932433
Energy: 0.4455493257921056
Energy: 0.4489887554019291
Energy: 0.44491366394733506
Energy: 0.5174637648901196
Energy: 0.4429941363350982
Energy: 0.4273264213064799
Energy: 0.4405575899983515
Energy: 0.44299809186363914
Energy: 0.42706857267461684
Energy: 0.427373380261982
Energy: 0.43683698475466926
Energy: 0.5015775032280032
Energy: 0.45180766346921103
Energy: 0.4523881623269253
Energy: 0.5017774391654025
Energy: 0.42357363531646064
Energy: 0.42849243989151165
Energy: 0.42524930494487384
Energy: 0.4396566647031147
Energy: 0.44002365318493625
Energy: 0.4285007965607305
Energy: 0.4269756704864776
Energy: 0.4397051246174637
Energy: 0.4189463698882678
Energy: 0.4303794031368665
Energy: 0.4158922686154947
Energy: 0.41608232359944103
Energy: 0.4308461186544722
Energy: 0.41609523450744523
Energy: 0.4198512341296764
Energy: 0.43155522105240873
Energy: 0.4158620118855347
Energy: 0.4159672005030184
Energy: 0.4324616525799947
Energy: 0.4158681135540901
Energy: 0.42492824198978
Energy: 0.44320908118029595
Energy: 0.4381675243198228
Energy: 0.42827148919426866
Energy: 0.42716351814018194
Energy: 0.43836154192439913
Energy: 0.42780508724082966
Energy: 0.49766580268293764
Energy: 0.47972511819047464
Energy: 0.42778204821185434
Energy: 0.4991403357708427
Energy: 0.47960045408423163
Energy: 0.42235521298676343
Energy: 0.43949686878021504
Energy: 0.4227526773144503
Energy: 0.4232596151928588
Energy: 0.4286431748211734
Energy: 0.42966932833776933
Energy: 0.42711935000185697
Energy: 0.44215246996326046
Energy: 0.442028014696872
Energy: 0.42860627816777735
Energy: 0.4645798218904361
Energy: 0.44009611854091885
Energy: 0.4243037428012928
Energy: 0.43827574676131875
Energy: 0.43803242836940276
Energy: 0.42820362815859514
Energy: 0.4395761703255175
Energy: 0.4411560095714161
Energy: 0.42895979422423974
Energy: 0.4421628314978662
Energy: 0.4428155928388489
Energy: 0.43850497359903484
Energy: 0.4661526477918762
Energy: 0.44219618575602165
Energy: 0.42878449243609523
Energy: 0.4417125546302996
Energy: 0.4413674104919194
Energy: 0.437877246164266
Energy: 0.44709586205832175
Energy: 0.4414630747649188
Energy: 0.4254250388483882
Energy: 0.4174077435910069
Energy: 0.43981932301674975
Energy: 0.42780593680283685
Energy: 0.43154497388786617
Energy: 0.4422916441887836
Energy: 0.4577452927159594
Energy: 0.41591063875348755
Energy: 0.41588489964103614
Energy: 0.45906401312043166
Energy: 0.4259965173726883
Energy: 0.41692458208421707
Energy: 0.4261955689639795
Energy: 0.4411779310230487
Energy: 0.43735973804926176
Energy: 0.4265337436271734
Energy: 0.42738307802896885
Energy: 0.43718805359597546
Energy: 0.4185415853373261
Energy: 0.4593999046641439
Energy: 0.4438660240181356
Energy: 0.4171619182786931
Energy: 0.5176142511350161
Energy: 0.41559719941630696
Energy: 0.4271524269663745
Energy: 0.4265389430500105
Energy: 0.43037057009872215
Energy: 0.4273187574685611
Energy: 0.4232392764512552
Energy: 0.42996387554371207
Energy: 0.4280979927139159
Energy: 0.4427387028648854
Energy: 0.44042753057358597
Energy: 0.44371312599468415
Energy: 0.4259403571970033
Energy: 0.4400322219551365
Energy: 0.42809286294945775
Energy: 0.44089268811685206
Energy: 0.44112087326811106
Energy: 0.4409085881451658
Energy: 0.4430844703846099
Energy: 0.4402350636879089
Energy: 0.43004325487670214
Energy: 0.4411982650213231
Energy: 0.4399946544767084
Energy: 0.4293576421335705
Energy: 0.44003640513604586
Energy: 0.4399211079061008
Energy: 0.5607391424550711
Energy: 0.46325890619731636
Energy: 0.444615873488072
Energy: 0.46817331721104916
Energy: 0.43976071570854003
Energy: 0.4654125903001929
Energy: 0.4240788353031383
Energy: 0.44299135644959087
Energy: 0.43734817118729963
Energy: 0.42668073204997836
Energy: 0.42778728418289413
Energy: 0.43710815868924136
Energy: 0.5802988308501807
Energy: 0.46134187974847024
Energy: 0.4209650843670004
Energy: 0.41539654255645614
Energy: 0.461063632398292
Energy: 0.42055085033235

minimum gb energy = 0.41539654255645614 eV
minimum distance =  2.69408484235313 Angstroms
sigma value = 43


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

Energy: 0.5801570218239586
Energy: 0.5255672277686965
Energy: 0.4772048125502179
Energy: 0.4554770066674491
Energy: 0.5434627237401829
Energy: 0.45598029044867666
Energy: 0.4409100907912305
Energy: 0.43566363107257117
Energy: 0.4535552034083966
Energy: 0.439381722541446
Energy: 0.436118931850107
Energy: 0.44060935366661674
Energy: 0.4402869995111656
Energy: 0.4295169462940811
Energy: 0.4299706982040334
Energy: 0.49204382295031834
Energy: 0.4304762630670416
Energy: 0.44103679507493243
Energy: 0.44062484584429534
Energy: 0.43033899956420724
Energy: 0.4451468495787962
Energy: 0.4407055941226916
Energy: 0.4397025713232555
Energy: 0.4435119581859226
Energy: 0.4393076904635123
Energy: 0.4537544516614269
Energy: 0.4553189895249007
Energy: 0.4411498874612385
Energy: 0.4531029523008666
Energy: 0.4502288538823249
Energy: 0.4394229269284873
Energy: 0.45010106807208056
Energy: 0.4564589592479435
Energy: 0.4492805547226395
Energy: 0.4402965634427829
Energy: 0.454390752935453
Energy: 0.439564904286902
Energy: 0.44075155129697463
Energy: 0.4422914583924836
Energy: 0.439374918331941
Energy: 0.4393834096173265
Energy: 0.444468584946684
Energy: 0.46330972933937936
Energy: 0.43998403441265976
Energy: 0.4388018149385588
Energy: 0.4331144310285304
Energy: 0.44039478446262076
Energy: 0.4584172949354535
Energy: 0.43836376042287395
Energy: 0.4394313852489247
Energy: 0.440183162875156
Energy: 0.43930995346584256
Energy: 0.439585966195491
Energy: 0.4451198912178716
Energy: 0.5640779878167465
Energy: 0.44512488835652425
Energy: 0.4430841477071197
Energy: 0.43571714003975553
Energy: 0.46990810102509667
Energy: 0.4449073138631507
Energy: 0.43260421599553434
Energy: 0.43347132351185746
Energy: 0.45304962687435707
Energy: 0.44442059847638726
Energy: 0.43400599512361265
Energy: 0.4552450066969233
Energy: 0.45486007779112747
Energy: 0.43974475468872704
Energy: 0.44172809444518574
Energy: 0.4295623584981788
Energy: 0.4407689283062595
Energy: 0.44241739907046473
Energy: 0.4500965531413887
Energy: 0.4385015800212703
Energy: 0.4501152319553588
Energy: 0.4337115302672767
Energy: 0.43943852164152936
Energy: 0.4522520084334857
Energy: 0.4323185465759531
Energy: 0.44369807758557867
Energy: 0.46534933406569107
Energy: 0.43914084550120613
Energy: 0.4403904672947191
Energy: 0.4544942032949265
Energy: 0.4323073773811574
Energy: 0.4836203513024815
Energy: 0.48663772259553256
Energy: 0.4325348897556852
Energy: 0.5243513772316607
Energy: 0.5191047231608563
Energy: 0.4342257846517401
Energy: 0.4499420676971464
Energy: 0.4323346999503261
Energy: 0.43500392431497836
Energy: 0.4474234121207295
Energy: 0.43226940097713584
Energy: 0.43469603895946707
Energy: 0.4345708126975149
Energy: 0.43540656476262696
Energy: 0.4346722773340678
Energy: 0.4318027458882336
Energy: 0.4338416344294693
Energy: 0.4340411171958775
Energy: 0.4328459949136814
Energy: 0.4326914905405199
Energy: 0.4330359411325971
Energy: 0.43356315950602586
Energy: 0.43277650415480096
Energy: 0.44447966119952864
Energy: 0.4326485739362942
Energy: 0.43244365561676523
Energy: 0.43311390425978674
Energy: 0.4338127697424973
Energy: 0.445861108133189
Energy: 0.4439133214159258
Energy: 0.4329823404936488
Energy: 0.4328003954406296
Energy: 0.4362896527763619
Energy: 0.43349287126157354
Energy: 0.44231163875917445
Energy: 0.4335318151694814
Energy: 0.43345051042184674
Energy: 0.5009075141552186
Energy: 0.44865855758005524
Energy: 0.44653294132138255
Energy: 0.43315388425665435
Energy: 0.5197714458615451
Energy: 0.45126479485848925
Energy: 0.4516179861407387
Energy: 0.4793900206475455
Energy: 0.4334019781243372
Energy: 0.45117221062271184
Energy: 0.46130026338576796
Energy: 0.4333263915247568
Energy: 0.4331346470375697
Energy: 0.4488679772099604
Energy: 0.4530129064373366
Energy: 0.4684964859587989
Energy: 0.4769578101792764
Energy: 0.43365826892969445
Energy: 0.4335374392922874
Energy: 0.4304760474637374
Energy: 0.47883043554268306
Energy: 0.4334892827909889
Energy: 0.4861734402908633
Energy: 0.4323707497544711
Energy: 0.4322624686267258
Energy: 0.4334213533956002
Energy: 0.43261350790745023
Energy: 0.43226625320622725
Energy: 0.4707556486840408
Energy: 0.43264751266681556
Energy: 0.43205467113105095
Energy: 0.44400466028841884
Energy: 0.4329663042153969
Energy: 0.44248253869780735
Energy: 0.47152757269917694
Energy: 0.4321932496801225
Energy: 0.4467760694182712
Energy: 0.4709919949033475
Energy: 0.4499810251001039
Energy: 0.44212427830266854
Energy: 0.47174896822037016
Energy: 0.454021445702728
Energy: 0.4593169306159661
Energy: 0.44118372843800935
Energy: 0.44408290491636987
Energy: 0.4743287718679928
Energy: 0.44079338360099085
Energy: 0.4781208586595381
Energy: 0.477853758093579
Energy: 0.45783354825880623
Energy: 0.434895941443193
Energy: 0.45599310963899975
Energy: 0.44067491236198236
Energy: 0.44953000370152574
Energy: 0.4592265335777224
Energy: 0.43983971470576994
Energy: 0.43887067512637895
Energy: 0.44056571733596656
Energy: 0.4333752966859521
Energy: 0.44970527828351303
Energy: 0.45806439080047
Energy: 0.45357106818897225
Energy: 0.44846156074334487
Energy: 0.45863042526743353

minimum gb energy = 0.4295169462940811 eV
minimum distance =  2.64646751857412 Angstroms
sigma value = 57


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

Energy: 0.5451748476597009
Energy: 0.7796117874446067
Energy: 0.46298352891166905
Energy: 0.4955296153238247
Energy: 0.7789384752238213
Energy: 0.4617028060658591
Energy: 0.4438404118365369
Energy: 0.4490048348868561
Energy: 0.4278601495696127
Energy: 0.45033365898201294
Energy: 0.45047409102950553
Energy: 0.4300526460923295
Energy: 0.44492006640388676
Energy: 0.4092635819616284
Energy: 0.4084145852207501
Energy: 0.4954006355530229
Energy: 0.40940144103707243
Energy: 0.4097550799670534
Energy: 0.4403664776531219
Energy: 0.407717735596272
Energy: 0.412622927436973
Energy: 0.440634164086855
Energy: 0.4084056241769259
Energy: 0.4394253191606929
Energy: 0.4486071791113109
Energy: 0.4278019571534807
Energy: 0.425062484708495
Energy: 0.4501282864116588
Energy: 0.4438197696029132
Energy: 0.4292658919351514
Energy: 0.4209172727347413
Energy: 0.4432098582701684
Energy: 0.42651549913046083
Energy: 0.4274637494448552
Energy: 0.4519572374333341
Energy: 0.42902847641151887
Energy: 0.4506536641304984
Energy: 0.44130555427504603
Energy: 0.44060376194301204
Energy: 0.45083454414895774
Energy: 0.4457724909969946
Energy: 0.4318707430358488
Energy: 0.44330942769397896
Energy: 0.47968942750379523
Energy: 0.48838655765666766
Energy: 0.4644481364832213
Energy: 0.47954138063114493
Energy: 0.4877414693620897
Energy: 0.4500261815405081
Energy: 0.4446698235591473
Energy: 0.4281277092546476
Energy: 0.451161385772371
Energy: 0.4458005456174242
Energy: 0.4295279964363836
Energy: 0.44725688716150164
Energy: 0.43723140699604546
Energy: 0.43789127607155653
Energy: 0.4474370664012136
Energy: 0.45246052568220824
Energy: 0.43847230903184486
Energy: 0.4422752513449731
Energy: 0.4393207822528717
Energy: 0.42827902519306865
Energy: 0.44832699769323636
Energy: 0.43746468693716634
Energy: 0.440205099817095
Energy: 0.4079672695695677
Energy: 0.4414850020728871
Energy: 0.4420514970186055
Energy: 0.40919848443448
Energy: 0.44784621157307647
Energy: 0.46127487031753467
Energy: 0.41049685062004354
Energy: 0.43715308591113633
Energy: 0.4635688666939508
Energy: 0.44554015485688664
Energy: 0.44709868894815435
Energy: 0.4630122053190178
Energy: 0.4800191450284114
Energy: 0.44171630857222316
Energy: 0.42980468081195977
Energy: 0.4503980757099996
Energy: 0.4499283916852444
Energy: 0.4273295055066906
Energy: 0.44352271161745066
Energy: 0.48925617448667824
Energy: 0.4897299219668484
Energy: 0.443649842394148
Energy: 0.48954715393386805
Energy: 0.490393227206627
Energy: 0.44463183964591796
Energy: 0.4271461076662038
Energy: 0.4274090639308095
Energy: 0.4457124865943543
Energy: 0.425103201868553
Energy: 0.42816445184236107
Energy: 0.4525840523988321
Energy: 0.45911656441325244
Energy: 0.430366140003379
Energy: 0.45334239176638197
Energy: 0.45898500341052606
Energy: 0.429683150243793
Energy: 0.45153655687928174
Energy: 0.43860115862947635
Energy: 0.4282120980695666
Energy: 0.4307757859340459
Energy: 0.4487244784576481
Energy: 0.42455279209900815
Energy: 0.4498603278983552
Energy: 0.4412622019540739
Energy: 0.4396176891735984
Energy: 0.44460019191088257
Energy: 0.44070099305057325
Energy: 0.4367715716486826
Energy: 0.45058353281477637
Energy: 0.4364529686060049
Energy: 0.4365519637630912
Energy: 0.44586197848579845
Energy: 0.43736790881884524
Energy: 0.4414711887287399
Energy: 0.450091590450214
Energy: 0.44221228230521137
Energy: 0.43053302696809226
Energy: 0.45028955330260667
Energy: 0.45148764426732185
Energy: 0.42721278831238024
Energy: 0.49154126391469244
Energy: 0.4809729958630811
Energy: 0.48057832198262307
Energy: 0.44748436041175205
Energy: 0.4761363878586471
Energy: 0.48027722850498356
Energy: 0.48042773395423694
Energy: 0.4516087428452847
Energy: 0.4295410256674764
Energy: 0.4505626067601118
Energy: 0.4500739534931476
Energy: 0.4289394198421065
Energy: 0.4108336869968422
Energy: 0.4368687175629619
Energy: 0.4606087569851714
Energy: 0.44527863894959724
Energy: 0.44698038273889334
Energy: 0.4627253130300582

minimum gb energy = 0.407717735596272 eV
minimum distance =  2.66332957398747 Angstroms
sigma value = 17


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

Energy: 0.41132599995445984
Energy: 0.47538622033608735
Energy: 0.5093009050016115
Energy: 0.505038446732191
Energy: 0.4836680820449989
Energy: 0.5055218704149614
Energy: 0.5507944548849959
Energy: 0.49532426729571044
Energy: 0.464359429959815
Energy: 0.4989320312686247
Energy: 0.4977212733251909
Energy: 0.46317189992746366
Energy: 0.4532713745018671
Energy: 0.44407258999212634
Energy: 0.44182944297404414
Energy: 0.481875332458811
Energy: 0.43192109408345036
Energy: 0.4316691966086929
Energy: 0.4804350164571214
Energy: 0.4359795737509593
Energy: 0.4309432483285258
Energy: 0.48127294662316517
Energy: 0.4267439670671904
Energy: 0.4553498754003091
Energy: 0.42753303524687813
Energy: 0.44094699079364624
Energy: 0.4406740291658917
Energy: 0.4282607976370904
Energy: 0.4398961649351021
Energy: 0.4402718449637822
Energy: 0.45060628480737425
Energy: 0.41829005782984446
Energy: 0.47747487995060334
Energy: 0.4497545372221277
Energy: 0.4181104462646169
Energy: 0.45222069894364175
Energy: 0.42465807546254886
Energy: 0.4179875443265723
Energy: 0.4212345635260895
Energy: 0.41872397716405285
Energy: 0.4179504812974536
Energy: 0.42934291318497375
Energy: 0.43450281296619053
Energy: 0.4525911958951725
Energy: 0.45294061913078315
Energy: 0.4519623853744119
Energy: 0.451595594526491
Energy: 0.452779105581449
Energy: 0.42164333091013195
Energy: 0.4236097947720041
Energy: 0.431044937330139
Energy: 0.4223336188444902
Energy: 0.4258046678796045
Energy: 0.4265630452835503
Energy: 0.4227055107085272
Energy: 0.4791379628449376
Energy: 0.47921365593803955
Energy: 0.41807224914117397
Energy: 0.45580546983130565
Energy: 0.4325080334133241
Energy: 0.42875657312181115
Energy: 0.43601005865782105
Energy: 0.4300659788917745
Energy: 0.45569965141054236
Energy: 0.4406928003339441
Energy: 0.443038804837241
Energy: 0.4286086022535435
Energy: 0.4790757659218997
Energy: 0.4575403233716367
Energy: 0.4379079135190361
Energy: 0.4815544041241723
Energy: 0.45525024118050506
Energy: 0.42563336491019194
Energy: 0.5199013617575742
Energy: 0.5176091433157437
Energy: 0.44128796703222406
Energy: 0.5186231545721611
Energy: 0.5176829726581609
Energy: 0.4909400834883386
Energy: 0.49756878501132223
Energy: 0.4683246504399093
Energy: 0.49781835003151487
Energy: 0.49948275388736085
Energy: 0.46794817119118953
Energy: 0.45944874741927805
Energy: 0.506905407751443
Energy: 0.5059585430425381
Energy: 0.4764335232028632
Energy: 0.5063063455331428
Energy: 0.506730151981886
Energy: 0.5061961150221203
Energy: 0.46439118491629394
Energy: 0.46391401815797034
Energy: 0.4968183161288965
Energy: 0.501940857312992
Energy: 0.4663668033706788
Energy: 0.4056321271927316
Energy: 0.5174236118093819
Energy: 0.5254005178222871
Energy: 0.42832753283035346
Energy: 0.5177903643312765
Energy: 0.45014202327054703

minimum gb energy = 0.4056321271927316 eV
minimum distance =  2.69000161826624 Angstroms
sigma value = 17


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

Energy: 0.40839474328426095
Energy: 0.6711720537340092
Energy: 0.5103897898758506
Energy: 0.5053686437393018
Energy: 0.5837007628767593
Energy: 0.5038448479780681
Energy: 0.4615674506239517
Energy: 0.4965758129480091
Energy: 0.42397313536910414
Energy: 0.498651315220137
Energy: 0.4946750812117162
Energy: 0.42486072580806755
Energy: 0.5975366436791082
Energy: 0.413027656294825
Energy: 0.44410827221571986
Energy: 0.49419684506124834
Energy: 0.41960332335369643
Energy: 0.4472229866317203
Energy: 0.4971196637487092
Energy: 0.41320073087235365
Energy: 0.45221414829413914
Energy: 0.4973033820177877
Energy: 0.4077125844777348
Energy: 0.45171625175254193
Energy: 0.43309663622523403
Energy: 0.4266513605574812
Energy: 0.42530822630893306
Energy: 0.43373972244049835
Energy: 0.4263899664540366
Energy: 0.4315674684007287
Energy: 0.394178571923699
Energy: 0.4316838461483347
Energy: 0.4462325967102164
Energy: 0.41394014601813783
Energy: 0.4349493512468382
Energy: 0.4490314798920028
Energy: 0.407461542354667
Energy: 0.4348822153369997
Energy: 0.4038123349434831
Energy: 0.4095443993716245
Energy: 0.4318367983329431
Energy: 0.40339333982239833
Energy: 0.40631710374856606
Energy: 0.42258043066120327
Energy: 0.43212630641152744
Energy: 0.4034291445663022
Energy: 0.39525566095011483
Energy: 0.43023129015943046
Energy: 0.40216173449756065
Energy: 0.39717062598436936
Energy: 0.4091353472053655
Energy: 0.4031264645591037
Energy: 0.4016534008458171
Energy: 0.4075424182709777
Energy: 0.40717290745742474
Energy: 0.3998771444519773
Energy: 0.39948073805997375
Energy: 0.4068879766246236
Energy: 0.39983450985542507
Energy: 0.39905147363622084
Energy: 0.410535167896424
Energy: 0.42410342190805955
Energy: 0.39759289606557685
Energy: 0.3988509857135827
Energy: 0.4035332141321268
Energy: 0.3985996974644175
Energy: 0.4019497228278485
Energy: 0.41050460430637564
Energy: 0.4186567609338058
Energy: 0.4151396849782661
Energy: 0.4028052359098891
Energy: 0.4038152984138235
Energy: 0.40608370107471886
Energy: 0.4298998473170781
Energy: 0.4302052373453676
Energy: 0.41617054734182163
Energy: 0.43197654961512916
Energy: 0.43103504744649135
Energy: 0.4296698609381641
Energy: 0.4099394617363687
Energy: 0.4109619613676732
Energy: 0.4305794301031908
Energy: 0.40361687434407073
Energy: 0.40345156891625783
Energy: 0.4378467305996382
Energy: 0.43125825834874293
Energy: 0.43631444154213006
Energy: 0.4354617912145319
Energy: 0.41791735890373904
Energy: 0.47730276985603565
Energy: 0.4995758045432369
Energy: 0.4138101124642866
Energy: 0.4303282591639765
Energy: 0.4314398758299111
Energy: 0.4409766490822085
Energy: 0.4307865803237082
Energy: 0.40216275102513493
Energy: 0.49960256358981014
Energy: 0.4369892853863459
Energy: 0.41710037235943387
Energy: 0.49731982035783723
Energy: 0.43464795378342064
Energy: 0.4005613437667121
Energy: 0.4696356108765949
Energy: 0.47357593729821484
Energy: 0.44668333515642883
Energy: 0.4950369115570303
Energy: 0.43188472259060334
Energy: 0.49111981360413515
Energy: 0.4565875918854504
Energy: 0.4252112688372343
Energy: 0.5011131851764454
Energy: 0.4477158692408592
Energy: 0.4256063897120452
Energy: 0.6179860550462601
Energy: 0.4481193998829584
Energy: 0.4471413863062092
Energy: 0.48106453030397756
Energy: 0.4475845633628075
Energy: 0.5059658066762948
Energy: 0.5398791921393518
Energy: 0.49095860063339847
Energy: 0.4545713222433254
Energy: 0.5008045524467711
Energy: 0.5044698758648788
Energy: 0.4545670697309694
Energy: 0.4087991235713674
Energy: 0.4833149865319657
Energy: 0.4797130083228713
Energy: 0.41348491838551615
Energy: 0.4946280562947134
Energy: 0.45355731259278204
Energy: 0.4094538523431352
Energy: 0.4952594646289323
Energy: 0.43062460817361087
Energy: 0.42099676537088493
Energy: 0.4958755028809913
Energy: 0.47015724568315453
Energy: 0.5971837210064972
Energy: 0.41949189791997715
Energy: 0.4649848603603261
Energy: 0.4999369632235034
Energy: 0.4214820359784115
Energy: 0.4943294758239177
Energy: 0.5017297467559618
Energy: 0.41614772320785537
Energy: 0.4551235778145089
Energy: 0.5024909061837204
Energy: 0.42830894770580363
Energy: 0.45157981493957905
Energy: 0.4338757547604536
Energy: 0.4358967495924117
Energy: 0.43014492104086804
Energy: 0.43445808799759233
Energy: 0.436117344168981
Energy: 0.4134633411718834
Energy: 0.3931990359516665
Energy: 0.43067885094748337
Energy: 0.43097383778590753
Energy: 0.40509483559597964
Energy: 0.44279262016548643
Energy: 0.41024175547303765
Energy: 0.3944110858900489
Energy: 0.43519259008669653
Energy: 0.429888472625934
Energy: 0.4280040527043848
Energy: 0.43179812746947954
Energy: 0.421923478941018
Energy: 0.42912524043472433
Energy: 0.4005366972528855
Energy: 0.40222873302232204
Energy: 0.4043526445110086
Energy: 0.4557732657887172
Energy: 0.40269648977822636
Energy: 0.4036119896187942
Energy: 0.3966687372906064
Energy: 0.40032736343812253
Energy: 0.4044844406585532
Energy: 0.39585342124635964
Energy: 0.4055662943700671
Energy: 0.40128048512990067
Energy: 0.397921766888688
Energy: 0.40167970051270596
Energy: 0.402017027546274
Energy: 0.3970902596602007
Energy: 0.4017727367631597
Energy: 0.41277682010073596
Energy: 0.4126411267817974
Energy: 0.42115397309337027
Energy: 0.42065136588060753
Energy: 0.4112801142649756
Energy: 0.4206947151449643
Energy: 0.403471261011452
Energy: 0.40533431762401095
Energy: 0.4009411874157863
Energy: 0.41298318943504964
Energy: 0.4017751353364411
Energy: 0.4017170188206994
Energy: 0.40146575866403483
Energy: 0.4346108945975574
Energy: 0.4340566815309556
Energy: 0.4335618110360957
Energy: 0.3997888679389837
Energy: 0.43572213194476933
Energy: 0.43222816366358036
Energy: 0.40870875314761673
Energy: 0.40365168041240723
Energy: 0.433023927868856
Energy: 0.406147602995177
Energy: 0.3992299547034781
Energy: 0.4312356906480405
Energy: 0.40259036810420723
Energy: 0.42630226984124553
Energy: 0.43206357254556726
Energy: 0.4047512359196943
Energy: 0.43145967894997556
Energy: 0.5596697248693079
Energy: 0.41511072531632853
Energy: 0.4264765868776642
Energy: 0.4347624554872285
Energy: 0.41191720764560996
Energy: 0.42684117977203856
Energy: 0.40200277265844486
Energy: 0.502725461574889
Energy: 0.4322484234737927
Energy: 0.44303545604697225
Energy: 0.5007785197635553
Energy: 0.41619685827381864
Energy: 0.40065342583972696
Energy: 0.4856009202451726
Energy: 0.4761238951431737
Energy: 0.43811930759311357
Energy: 0.484918146535876
Energy: 0.45389979609716297
Energy: 0.43595321717783553
Energy: 0.5006501675326875
Energy: 0.455414541948225
Energy: 0.4406857215924473
Energy: 0.4980912863888668
Energy: 0.4605461910686249
Energy: 0.4435141539489685
Energy: 0.4594823675691503
Energy: 0.48751517689693624
Energy: 0.5010491162290067
Energy: 0.43583929856137915
Energy: 0.4930142526239535
Energy: 0.5941298203819961
Energy: 0.44748750948973565
Energy: 0.4318929409532312
Energy: 0.49634126888987384
Energy: 0.4436340838926896
Energy: 0.49439807698134863
Energy: 0.4093712027341656
Energy: 0.4692439308308403
Energy: 0.4727885176972595
Energy: 0.4162879842609093
Energy: 0.49396370721413213
Energy: 0.4776063113683348

minimum gb energy = 0.3931990359516665 eV
minimum distance =  2.68220507021679 Angstroms
sigma value = 57


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

Energy: 0.38081046057600887
Energy: 0.5918301731564024
Energy: 0.5024611659600945
Energy: 0.41898430826560473
Energy: 0.6032640497069455
Energy: 0.5049436094934363
Energy: 0.4612139693000447
Energy: 0.41006417736613615
Energy: 0.4115476367012242
Energy: 0.49255688016905214
Energy: 0.4088112701807251
Energy: 0.4138847823623019
Energy: 0.5670832200675529
Energy: 0.3927361456240885
Energy: 0.40415091202181586
Energy: 0.46659469457143243
Energy: 0.40687067854962894
Energy: 0.43070101855395493
Energy: 0.5033283512658092
Energy: 0.40084587516175385
Energy: 0.43184224139675104
Energy: 0.44196040016356863
Energy: 0.3989690684555335
Energy: 0.4316925289512151
Energy: 0.4223530695070361
Energy: 0.4119164683086944
Energy: 0.4109527930699337
Energy: 0.4229758035536203
Energy: 0.41261702301952247
Energy: 0.4111708982392672
Energy: 0.3715455593225062
Energy: 0.4088456185839977
Energy: 0.44174091374165164
Energy: 0.3836133823195569
Energy: 0.4126538819719158
Energy: 0.44629599531400166
Energy: 0.40408573236146667
Energy: 0.43268108498538743
Energy: 0.3860065009642299
Energy: 0.39026199351593555
Energy: 0.4303912095469903
Energy: 0.38494014946050314
Energy: 0.5083799928964146
Energy: 0.3810871680068425
Energy: 0.37857879199124744
Energy: 0.388134338699179
Energy: 0.37768229266652464
Energy: 0.3843394489399631
Energy: 0.39319048417470615
Energy: 0.3828188876679392
Energy: 0.3849559315321049
Energy: 0.39386722281793524
Energy: 0.3782813504354907
Energy: 0.4041494453315775
Energy: 0.4009445646889499
Energy: 0.3744316865774533
Energy: 0.37451641464645213
Energy: 0.4010025076708064
Energy: 0.37463911153745005
Energy: 0.3744603125755847
Energy: 0.37890620328820396
Energy: 0.39870286758627627
Energy: 0.3814814473841851
Energy: 0.3855226263989333
Energy: 0.39719311173873556
Energy: 0.3797749195616837
Energy: 0.3825508876551948
Energy: 0.3811708829346859
Energy: 0.3953468069460899
Energy: 0.3744779285158339
Energy: 0.3790375848921067
Energy: 0.37251623418318125
Energy: 0.3926828283615866
Energy: 0.398189791273703
Energy: 0.39546411251893665
Energy: 0.37681898024114785
Energy: 0.37493818904075676
Energy: 0.39543968638357074
Energy: 0.37586797856685533
Energy: 0.3737313504651454
Energy: 0.37379822850649186
Energy: 0.3769397377906214
Energy: 0.38915133423406933
Energy: 0.39669747687868284
Energy: 0.3880579220347229
Energy: 0.3864295267419275
Energy: 0.38494191811509554
Energy: 0.40137928913434684
Energy: 0.3872753805624208
Energy: 0.40414511622323057
Energy: 0.4012128044567855
Energy: 0.41385664978796916
Energy: 0.37218804190520716
Energy: 0.3748633425178669
Energy: 0.3990974674901321
Energy: 0.3740098797953968
Energy: 0.37673937754760145
Energy: 0.404759384180898
Energy: 0.394142695331669
Energy: 0.37830908009256264
Energy: 0.39703968195783484
Energy: 0.3887061295268671
Energy: 0.3772972220364763
Energy: 0.40026276162515123
Energy: 0.39004052661253785
Energy: 0.4011280009004212
Energy: 0.38795067585093973
Energy: 0.3882352265337529
Energy: 0.4285537371047767
Energy: 0.3997405358925409
Energy: 0.38449388601434786
Energy: 0.4285091192893194
Energy: 0.3990775662926604
Energy: 0.4163487357798073
Energy: 0.44354255002000426
Energy: 0.4338726331565704
Energy: 0.4304376488982475
Energy: 0.46777378633931643
Energy: 0.4005188995755426
Energy: 0.4735735098050985
Energy: 0.5363984497725672
Energy: 0.4156878458797422
Energy: 0.4096837484546331
Energy: 0.41479935813091234
Energy: 0.43315414841108646
Energy: 0.41309977641014234
Energy: 0.37578964390036923
Energy: 0.4194061684758844
Energy: 0.41652491028010524
Energy: 0.4012708371846031
Energy: 0.47528251114431486
Energy: 0.41317687259714425
Energy: 0.3948769618212756
Energy: 0.45888723453690977
Energy: 0.44937625297019673
Energy: 0.3972130484998184
Energy: 0.45602679875317953
Energy: 0.4466250303412384
Energy: 0.541489214430607
Energy: 0.44449507570466096
Energy: 0.4191311834470296
Energy: 0.42284828274600644
Energy: 0.4347014397424327
Energy: 0.4123314028415981
Energy: 0.5732974852802935
Energy: 0.42649204979757893
Energy: 0.42668380729369115
Energy: 0.4593538196518143
Energy: 0.42441650987361346
Energy: 0.47252174437167527
Energy: 0.46613517475585303
Energy: 0.44997966696391545
Energy: 0.4319112146037941
Energy: 0.4519471211268055
Energy: 0.45251230702629736
Energy: 0.4307049182521496
Energy: 0.37979049580934227
Energy: 0.4551815606707971
Energy: 0.44392448667666634
Energy: 0.40183820932473435
Energy: 0.452414844915057
Energy: 0.44744306951926294

minimum gb energy = 0.3715455593225062 eV
minimum distance =  2.67832675113107 Angstroms
sigma value = 43


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

Energy: 0.33392462143868584
Energy: 0.4936213391302977
Energy: 0.3886039675331033
Energy: 0.3819786793351525
Energy: 0.49608041771515937
Energy: 0.36887027674266315
Energy: 0.4598589631565854
Energy: 0.36049778365318874
Energy: 0.3585385976708986
Energy: 0.3852231265025567
Energy: 0.36034537589760823
Energy: 0.3563653451854649
Energy: 0.49084295793159194
Energy: 0.344127340943989
Energy: 0.35213068983841117
Energy: 0.3918399690092177
Energy: 0.34636044043252606
Energy: 0.35878118884661214
Energy: 0.4350097325569593
Energy: 0.35696933039534856
Energy: 0.3527630858694906
Energy: 0.3659346980119516
Energy: 0.347434065479728
Energy: 0.3745299027413842
Energy: 0.34048899155342843
Energy: 0.3573817208620299
Energy: 0.35759918416436004
Energy: 0.34072280073872413
Energy: 0.3570473858996264
Energy: 0.35710333468792116
Energy: 0.3219945338737861
Energy: 0.3554585763428963
Energy: 0.3625317345707232
Energy: 0.3417538733083131
Energy: 0.35601350957296873
Energy: 0.37763765665335586
Energy: 0.45011068264606696
Energy: 0.38402223419224935
Energy: 0.3676112829610771
Energy: 0.3363641653830084
Energy: 0.38950105806744534
Energy: 0.33524531501018723
Energy: 0.448041991752024
Energy: 0.3269752159826783
Energy: 0.33440230428894124
Energy: 0.3353562375373822
Energy: 0.3251951577234278
Energy: 0.33431436260580205
Energy: 0.355622940359745
Energy: 0.33737325588941486
Energy: 0.3361185362452873
Energy: 0.35655484911388363
Energy: 0.33347728012620825
Energy: 0.3428194487836136
Energy: 0.34604349062709583
Energy: 0.32663314002145816
Energy: 0.3266270392325584
Energy: 0.3447466934239536
Energy: 0.3267095117266557
Energy: 0.3238455235730866
Energy: 0.3184471310676503
Energy: 0.3242254006535978
Energy: 0.3247236272999028
Energy: 0.3231248921852666
Energy: 0.334938680621643
Energy: 0.32271381634244317
Energy: 0.3564303178056797
Energy: 0.33409894866341944
Energy: 0.3624250509932283
Energy: 0.3464905401879934
Energy: 0.3394387663316756
Energy: 0.3190749139596615
Energy: 0.354175513217497
Energy: 0.3193777255061276
Energy: 0.3197656194402932
Energy: 0.3272959466076457
Energy: 0.31988996990772517
Energy: 0.3194027023889853
Energy: 0.324257066332767
Energy: 0.3308395158546257
Energy: 0.3300120328815606
Energy: 0.32498779878147654
Energy: 0.31915549559048967
Energy: 0.3269714764225337
Energy: 0.3434905451390406
Energy: 0.32064543333052203
Energy: 0.32013859507962816
Energy: 0.32420042767487384
Energy: 0.32030139741050445
Energy: 0.3202224981639689
Energy: 0.32116301278265263
Energy: 0.34182615555267704
Energy: 0.316554530392183
Energy: 0.32961735559618516
Energy: 0.3187216371361145
Energy: 0.3177463049946443
Energy: 0.3262425197424282
Energy: 0.32068917896281873
Energy: 0.3172738633223821
Energy: 0.32890315758203553
Energy: 0.31891092581549585
Energy: 0.3175541565860883
Energy: 0.3191885175507418
Energy: 0.3227552368694248
Energy: 0.3400899492681457
Energy: 0.3331353443552966
Energy: 0.31728185080852445
Energy: 0.3396100199375585
Energy: 0.3190337689122844
Energy: 0.3286834621119739
Energy: 0.32363097699541943
Energy: 0.3200076468294774
Energy: 0.3426890888391192
Energy: 0.32453128369574835
Energy: 0.31910076522470987
Energy: 0.3280096264301085
Energy: 0.3279254100148666
Energy: 0.3167416289578534
Energy: 0.3189281082665712
Energy: 0.34504142319261943
Energy: 0.33705707600195817
Energy: 0.3244756828638678
Energy: 0.35049404100217124
Energy: 0.3405981437462166
Energy: 0.3236890366236015
Energy: 0.31867150891122004
Energy: 0.3203913510868601
Energy: 0.31783152154390115
Energy: 0.318793116863715
Energy: 0.31820541056961804
Energy: 0.3236727456844524
Energy: 0.3200816931562713
Energy: 0.33230508271558845
Energy: 0.32169773329812845
Energy: 0.3217803257621945
Energy: 0.33265129255184206
Energy: 0.3224080103685016
Energy: 0.32072258866728154
Energy: 0.33501848970558357
Energy: 0.33786684763892266
Energy: 0.337984005087894
Energy: 0.3360805367969108
Energy: 0.32224676635586214
Energy: 0.33764070254249684
Energy: 0.432513256376756
Energy: 0.3236495030742767
Energy: 0.3256008936607329
Energy: 0.32374175208165323
Energy: 0.3230241606719208
Energy: 0.3253726380287461
Energy: 0.40337268237341617
Energy: 0.35223228541992013
Energy: 0.3239744390957091
Energy: 0.3252961883707648
Energy: 0.3588075866408079
Energy: 0.32356647113259007
Energy: 0.32033827236146395
Energy: 0.3355795247507373
Energy: 0.33581985541562637
Energy: 0.3394178806613507
Energy: 0.35300618190841876
Energy: 0.32858460226760067
Energy: 0.33454924452901574
Energy: 0.3374715399308073
Energy: 0.335512251338559
Energy: 0.3348302451732329
Energy: 0.3375745697516772
Energy: 0.33544695643505756
Energy: 0.38916485037312126
Energy: 0.34697118361265494
Energy: 0.3393165459578277
Energy: 0.3900908975192612
Energy: 0.33854428881599136
Energy: 0.35834169681045674
Energy: 0.4689834285390687
Energy: 0.33337695676435575
Energy: 0.3460086566059635
Energy: 0.35596285449875653
Energy: 0.33374948802308785
Energy: 0.3462875101920687
Energy: 0.4667484977123882
Energy: 0.37609504276527544
Energy: 0.3646258877207852
Energy: 0.36043189166331485
Energy: 0.3651719084066377
Energy: 0.352180849137803
Energy: 0.32728415531304084
Energy: 0.38505164593834496
Energy: 0.3730205780138038
Energy: 0.3486698041907582
Energy: 0.3935715686384531
Energy: 0.3983282463009346
Energy: 0.35285697021897877
Energy: 0.38512563971301594
Energy: 0.3846135134645168
Energy: 0.3579743237507976
Energy: 0.3849269593336063
Energy: 0.3604625943294793
Energy: 0.46818620830249824
Energy: 0.3799415111680883
Energy: 0.3779986481991915
Energy: 0.36091494281380676
Energy: 0.36212638694381327
Energy: 0.39583516023410215
Energy: 0.49095706486225077
Energy: 0.35976438345351636
Energy: 0.3761489030397732
Energy: 0.39161159115195737
Energy: 0.36293321334909256
Energy: 0.37222032966127416
Energy: 0.4349518340945918
Energy: 0.3848081443911088
Energy: 0.3841430754967501
Energy: 0.3832521295510153
Energy: 0.38433116069650086
Energy: 0.3835977626769415

minimum gb energy = 0.316554530392183 eV
minimum distance =  2.68077623690989 Angstroms
sigma value = 81


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

Energy: 0.033725553979442095
Energy: 0.09874246975479564
Energy: 0.09446999355779832
Energy: 0.03528440146350364
Energy: 0.03618232797637658
Energy: 0.03406791463708489
Energy: 0.0560404349416828
Energy: 0.03444817166026252
Energy: 0.03506772926009986
Energy: 0.056042633601454186
Energy: 0.03710766993277294
Energy: 0.03491610865786141
Energy: 0.06857990027411422
Energy: 0.035469005343665025
Energy: 0.03484075111482188
Energy: 0.08150215470548834
Energy: 0.03416750133234168
Energy: 0.0708962862733566
Energy: 0.036893834486966176
Energy: 0.03537766926689843
Energy: 0.03501110384279962
Energy: 0.037190559774157354
Energy: 0.03430670136072762
Energy: 0.06934473902098981
Energy: 0.07117501961544513
Energy: 0.08110602838238491
Energy: 0.08012021327889432
Energy: 0.07137510995913807
Energy: 0.05579738131344058
Energy: 0.08021549628695895
Energy: 0.034731914482465716
Energy: 0.06622530159064473
Energy: 0.0947414154333613
Energy: 0.0358861735022598
Energy: 0.035226227245605604
Energy: 0.03584997785341925
Energy: 0.0715644523837504
Energy: 0.03464771688188933
Energy: 0.03458521487045258
Energy: 0.08038354411151041
Energy: 0.03920699194348908
Energy: 0.03497757053231137
Energy: 0.07023159947940254
Energy: 0.03603344867898357
Energy: 0.06498329798247982
Energy: 0.08061846149644576
Energy: 0.034174346426631245
Energy: 0.06970084478074641
Energy: 0.0353282524602327
Energy: 0.09344125029532029
Energy: 0.0960463001369228
Energy: 0.03744888401717058
Energy: 0.035647640141501534
Energy: 0.09770159345982803
Energy: 0.034455157823056075
Energy: 0.08177883487092144
Energy: 0.08057765513617027
Energy: 0.03507271381365277
Energy: 0.07984749186447865
Energy: 0.08035787355647915

minimum gb energy = 0.033725553979442095 eV
minimum distance =  2.79373692021297 Angstroms
sigma value = 3


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

Energy: 0.41801603389272746
Energy: 0.38261372347570083
Energy: 0.3963937752570824
Energy: 0.3593460698063054
Energy: 0.3816612548106813
Energy: 0.35991110292108774
Energy: 0.40782547074429154
Energy: 0.37741665982681727
Energy: 0.37689932754299965
Energy: 0.37896725066693643
Energy: 0.37587480254647826
Energy: 0.3432760971226942
Energy: 0.40702313821703956
Energy: 0.33574427483414215
Energy: 0.3945734271345219
Energy: 0.3944425861685727
Energy: 0.3720156148228513
Energy: 0.36839583992564295
Energy: 0.38022378729878015
Energy: 0.34620778120473017
Energy: 0.3877541982614153
Energy: 0.3777285820805961
Energy: 0.33330289669980623
Energy: 0.4076131456005563
Energy: 0.3394579756082028
Energy: 0.3772062275227696
Energy: 0.38225600389883146
Energy: 0.33965480775473
Energy: 0.40902845790556586
Energy: 0.3842930398758251
Energy: 0.3124618270287659
Energy: 0.3467045704835031
Energy: 0.340153656340177
Energy: 0.31912444505082654
Energy: 0.3447305410318576
Energy: 0.3491030939009059
Energy: 0.37742201575782763
Energy: 0.3462499337552492
Energy: 0.345972735759212
Energy: 0.3772584279196164
Energy: 0.350253971382021
Energy: 0.3826086540435465
Energy: 0.37666969367756936
Energy: 0.31741548130232516
Energy: 0.31894909345926425
Energy: 0.3767393261242389
Energy: 0.2989006308793121
Energy: 0.3582213893816751
Energy: 0.3603734089048376
Energy: 0.3756907499819558
Energy: 0.3559029912073727
Energy: 0.35992264578748556
Energy: 0.3163951888730218
Energy: 0.40128659439861514
Energy: 0.3201022024418855
Energy: 0.346624647885226
Energy: 0.3468011307873225
Energy: 0.3203008944158977
Energy: 0.3509223766244567
Energy: 0.3467297295004117
Energy: 0.3011144730137081
Energy: 0.30421291665587624
Energy: 0.3319460272402032
Energy: 0.30408297385583616
Energy: 0.30424850566086314
Energy: 0.3273618875520278
Energy: 0.32161472115475087
Energy: 0.3199285117252181
Energy: 0.38354921635964717
Energy: 0.32106665733547873
Energy: 0.3035272001899449
Energy: 0.32132524142207386
Energy: 0.3209748726948156
Energy: 0.29328052094460405
Energy: 0.3036541080901931
Energy: 0.3209851935147668
Energy: 0.2966820504763594
Energy: 0.32180019227452655
Energy: 0.2936316900332378
Energy: 0.30388201541757165
Energy: 0.3648496362274272
Energy: 0.32396314372925705
Energy: 0.30245872615284053
Energy: 0.37675192775089095
Energy: 0.2948743316913304
Energy: 0.30303231137552505
Energy: 0.30249335531392946
Energy: 0.2950606050996968
Energy: 0.3060978194735254
Energy: 0.30391399108581246
Energy: 0.3353942838801435
Energy: 0.3041364881734607
Energy: 0.3620712392977757
Energy: 0.2973194085838935
Energy: 0.369601478888646
Energy: 0.29419559524582695
Energy: 0.29856857228468764
Energy: 0.3034429161109544
Energy: 0.35218569766606533
Energy: 0.2993092228947049
Energy: 0.33449176201037095
Energy: 0.2945174539305666
Energy: 0.29343499636207904
Energy: 0.2953796773254852
Energy: 0.2958146764916226
Energy: 0.2935189047011808
Energy: 0.2943917379974067
Energy: 0.29538458017268127
Energy: 0.3028861096588238
Energy: 0.29391424862904414
Energy: 0.36456219443332594
Energy: 0.33284031686742765
Energy: 0.2937667793441966
Energy: 0.3676911343229218
Energy: 0.2946323534493357
Energy: 0.29382269062324085
Energy: 0.29358744529704955
Energy: 0.37160053423277534
Energy: 0.2977788260255237
Energy: 0.2945654338603053
Energy: 0.2947483958904862
Energy: 0.29454419681385696
Energy: 0.29402391318595006
Energy: 0.37014543928102045
Energy: 0.37652475198698604
Energy: 0.36030712504915113
Energy: 0.3075523944609387
Energy: 0.2947691392224073
Energy: 0.30394378984595727
Energy: 0.3078605723156032
Energy: 0.3261884366612656
Energy: 0.3035097768711391
Energy: 0.30245755973366273
Energy: 0.3757971994908089
Energy: 0.3662328411610563
Energy: 0.30255838821999576
Energy: 0.3776534594803086
Energy: 0.36634212232950975
Energy: 0.3803998537120751
Energy: 0.3211431133735294
Energy: 0.32156026830425954
Energy: 0.3759843211114816
Energy: 0.32131957321751
Energy: 0.38329289563458835
Energy: 0.30324820540995906
Energy: 0.3208557258589307
Energy: 0.32084266007601997
Energy: 0.3040720959627739
Energy: 0.3256032045195501
Energy: 0.32170393598706865
Energy: 0.3035353030778476
Energy: 0.3087271914927692
Energy: 0.31081359145435944
Energy: 0.3045133410801895
Energy: 0.2953122407684457
Energy: 0.35931854667501906
Energy: 0.35085979448674137
Energy: 0.3312325120590502
Energy: 0.35287134019781796
Energy: 0.3509884786727919
Energy: 0.30936046347214086
Energy: 0.34661164471678385
Energy: 0.32882513371948063
Energy: 0.3675073822091621
Energy: 0.3630332249108256
Energy: 0.32866292486128706
Energy: 0.36744490257604645
Energy: 0.3579376307343858
Energy: 0.3057143694211783
Energy: 0.37500743835682243
Energy: 0.36903271652491537
Energy: 0.30983947808871704
Energy: 0.37535326875930536
Energy: 0.3413133068211248
Energy: 0.35093403555419744
Energy: 0.3744437372448024
Energy: 0.3828256294470319
Energy: 0.35079354189130935
Energy: 0.3780895115834133
Energy: 0.39688506176491306
Energy: 0.3415160239304971
Energy: 0.32532765532888314
Energy: 0.3270005354174013
Energy: 0.34177103382104274
Energy: 0.3041265959537433
Energy: 0.3669502855612309
Energy: 0.42960762482120474
Energy: 0.3624362857953144
Energy: 0.3656220092050893
Energy: 0.375074651863484
Energy: 0.3243667837508086
Energy: 0.38227146908895904
Energy: 0.3494378915132417
Energy: 0.37668686402450446
Energy: 0.37468601362713577
Energy: 0.3491657711355778
Energy: 0.37787953857590695
Energy: 0.3577452305902305

minimum gb energy = 0.29328052094460405 eV
minimum distance =  2.64709527481555 Angstroms
sigma value = 67


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

Energy: 0.4310615547872656
Energy: 0.5184981645211701
Energy: 0.4763027365867058
Energy: 0.42226463362858735
Energy: 0.5163929008487304
Energy: 0.4732765088744214
Energy: 0.49406430165835213
Energy: 0.48527367764730567
Energy: 0.49010794880432323
Energy: 0.48642666090843784
Energy: 0.43838832807370776
Energy: 0.4429374184658437
Energy: 0.5005071645228324
Energy: 0.4283752925144103
Energy: 0.42184041958548013
Energy: 0.44031135979917513
Energy: 0.4467995262012535
Energy: 0.44773287496417086
Energy: 0.4425137260197582
Energy: 0.39906779198181286
Energy: 0.46238607934428494
Energy: 0.44300906440305116
Energy: 0.39425278275113346
Energy: 0.4783094255444793
Energy: 0.44891910682187786
Energy: 0.4801247995097737
Energy: 0.47685714320055217
Energy: 0.39754427455543834
Energy: 0.4403604756066415
Energy: 0.49540624976554104
Energy: 0.42401305738027123
Energy: 0.39580289537869984
Energy: 0.44692726316922704
Energy: 0.3967687436863243
Energy: 0.39748843239653164
Energy: 0.4471526745103653
Energy: 0.4424526664703955
Energy: 0.40086631443653614
Energy: 0.40385414312684376
Energy: 0.4450634214160426
Energy: 0.39972586234649743
Energy: 0.3979280239984531
Energy: 0.44505764931999187
Energy: 0.37602303606689524
Energy: 0.3872344984840848
Energy: 0.4462026503110845
Energy: 0.3730931855155748
Energy: 0.43779402775184106
Energy: 0.42459847975095805
Energy: 0.41747444770873054
Energy: 0.47449698383360156
Energy: 0.42441027434437645
Energy: 0.39504015103478457
Energy: 0.4720704324798921
Energy: 0.3722440774829217
Energy: 0.3996327778745098
Energy: 0.4020754473347872
Energy: 0.3722192922779842
Energy: 0.3968763272843135
Energy: 0.39522355065623077
Energy: 0.3730906162850259
Energy: 0.4505058683817367
Energy: 0.4498715690185065
Energy: 0.37317208426808535
Energy: 0.3917038354705736
Energy: 0.3803238828872421
Energy: 0.37651694564969956
Energy: 0.43648747889848905
Energy: 0.3718460397762981
Energy: 0.3774370770329612
Energy: 0.376955341465399
Energy: 0.37136198536643394
Energy: 0.37830383372017135
Energy: 0.37849665188532194
Energy: 0.3716835034760446
Energy: 0.3782098122870842
Energy: 0.3739335385035429
Energy: 0.37162467928916354
Energy: 0.39285574531807577
Energy: 0.4405525212714064
Energy: 0.4395912910071325
Energy: 0.37335971433125814
Energy: 0.3724899552497045
Energy: 0.4401346639656892
Energy: 0.3740812635201652
Energy: 0.37614930977746175
Energy: 0.3792831165813408
Energy: 0.41332214942022377
Energy: 0.37328225833027334
Energy: 0.3713417144965994
Energy: 0.37318847674169375
Energy: 0.4476807544454441
Energy: 0.44740074934545465
Energy: 0.37835482198791126
Energy: 0.37338481124426853
Energy: 0.44617443664855777
Energy: 0.39902402259731945
Energy: 0.37067761598750143
Energy: 0.3830205252557719
Energy: 0.3997300393464136
Energy: 0.3676975053127824
Energy: 0.3946450472792297
Energy: 0.4033199454352291
Energy: 0.4164561179418929
Energy: 0.4164176506879936
Energy: 0.40322420070834286
Energy: 0.4176667937046007
Energy: 0.39514990817612056
Energy: 0.4078693517107824
Energy: 0.4161798026454679
Energy: 0.47577012853087663
Energy: 0.3791921212252051
Energy: 0.4156603112187335
Energy: 0.42380391581846505
Energy: 0.3960299273895986
Energy: 0.4414709027914402
Energy: 0.45086601411896826
Energy: 0.3962371216029653
Energy: 0.4414806194566331
Energy: 0.4550254779384002
Energy: 0.4011730610939753
Energy: 0.4172656463373157
Energy: 0.4127142129936133
Energy: 0.40143472312919676
Energy: 0.37729080104520074
Energy: 0.38126554856102296
Energy: 0.5009419143468772
Energy: 0.38192933911782795
Energy: 0.4192908684525032
Energy: 0.44015746270696476
Energy: 0.3794136194466263
Energy: 0.42508287606347034
Energy: 0.472248975974569
Energy: 0.4459322031638799
Energy: 0.4501601819582656
Energy: 0.4735764833576322
Energy: 0.44414483144061756
Energy: 0.44187808769082876

minimum gb energy = 0.3676975053127824 eV
minimum distance =  2.64088460833387 Angstroms
sigma value = 33


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

Energy: 0.4995192979865622
Energy: 0.6350158288043533
Energy: 0.4874064299814331
Energy: 0.511362871491381
Energy: 0.46796106590579095
Energy: 0.5232876813246371
Energy: 0.5322293170499605
Energy: 0.47274576720548495
Energy: 0.47148878169296576
Energy: 0.4759359818774695
Energy: 0.4752784544310137
Energy: 0.47928294292444834
Energy: 0.5511057316258574
Energy: 0.428877351532759
Energy: 0.4272230612857124
Energy: 0.47218725127919997
Energy: 0.47391953161739775
Energy: 0.4715308209113966
Energy: 0.4697956466577727
Energy: 0.4806295953936199
Energy: 0.4741567750394884
Energy: 0.47066222397789487
Energy: 0.47441050683446895
Energy: 0.49646362967706986
Energy: 0.47607653159135005
Energy: 0.4753958592569804
Energy: 0.4724034283372389
Energy: 0.4752078240173968
Energy: 0.4761113381567414
Energy: 0.4276976049982309
Energy: 0.4211048528627133
Energy: 0.4226198259514938
Energy: 0.4222521264937064
Energy: 0.4238200611425167
Energy: 0.4222771587845707
Energy: 0.5026171570430092
Energy: 0.47258810710918303
Energy: 0.47687298726079763
Energy: 0.45142064398308834
Energy: 0.47216836299746856
Energy: 0.4242544530593368
Energy: 0.42634729222961226
Energy: 0.4764284316300791
Energy: 0.42701134964349396
Energy: 0.44580093690631506
Energy: 0.4739267924327923
Energy: 0.42422259259964923
Energy: 0.4469116958100116
Energy: 0.4214027813275616
Energy: 0.4672624187526641
Energy: 0.4683655473433715
Energy: 0.4592249050018133
Energy: 0.42346043032587233
Energy: 0.5021515023263444
Energy: 0.4215220099309486
Energy: 0.42660993222548194
Energy: 0.4219731038618724
Energy: 0.4565628608472018
Energy: 0.42370490709333725
Energy: 0.4217385592943175
Energy: 0.44878913345182664
Energy: 0.4845721415204471
Energy: 0.48788606375755283
Energy: 0.43936482630252377
Energy: 0.4218810963369815
Energy: 0.48700037880099745
Energy: 0.42174208829224186
Energy: 0.42134472279298074
Energy: 0.4215361340133709
Energy: 0.4217588906111269
Energy: 0.4100463016799163
Energy: 0.4213257353051231
Energy: 0.42811375692299947
Energy: 0.4276129498110057
Energy: 0.42216893955595347
Energy: 0.4215337174725586
Energy: 0.44665505724145826
Energy: 0.42342947974408796
Energy: 0.4096437729614196
Energy: 0.44867506478699243
Energy: 0.44687064285926525
Energy: 0.41070119852277687
Energy: 0.4486196167258547
Energy: 0.43451644588871013
Energy: 0.40902229779149846
Energy: 0.4757036503399108
Energy: 0.4711597866192429
Energy: 0.4084595719686713
Energy: 0.47291744627450255
Energy: 0.44626341558694477
Energy: 0.42835592499332364
Energy: 0.4781325700277639
Energy: 0.47988352270304674
Energy: 0.42847730171349374
Energy: 0.43332527053724085
Energy: 0.4815826843228371
Energy: 0.546987059451165
Energy: 0.43857861029313794
Energy: 0.4325210420088424
Energy: 0.5488743845295079
Energy: 0.43550818506112904
Energy: 0.436051686373311
Energy: 0.5312849220494559
Energy: 0.4745896786541294
Energy: 0.4716090959372799
Energy: 0.4754484933127717
Energy: 0.4750810009017599
Energy: 0.5267764399131737
Energy: 0.4321213226531785
Energy: 0.48149140800257423
Energy: 0.5224721756679319
Energy: 0.4375899655844045
Energy: 0.4814648954779665
Energy: 0.5168496935636535
Energy: 0.5111556330956574
Energy: 0.47485146949187357
Energy: 0.4729267535047625
Energy: 0.46097531846086737
Energy: 0.47585205552007365
Energy: 0.47514460214725834
Energy: 0.5473045636598918
Energy: 0.4809508252131878
Energy: 0.47526889831843144
Energy: 0.4717125363790295
Energy: 0.44771336253381244
Energy: 0.4507437992111563
Energy: 0.4693417207089492
Energy: 0.4758702376693542
Energy: 0.4268819629428472
Energy: 0.46935632285443923
Energy: 0.47286747166456394
Energy: 0.47147757140712987
Energy: 0.47368852333965744
Energy: 0.4731690144267341
Energy: 0.5215334004037595
Energy: 0.47299275762451004
Energy: 0.4752390190666199
Energy: 0.42929389105374083
Energy: 0.4213874873698476
Energy: 0.4678204274630534
Energy: 0.46758982387830467
Energy: 0.46692742904391715
Energy: 0.46731809183229595
Energy: 0.5244221997629004
Energy: 0.4714917119015512
Energy: 0.476535327283431
Energy: 0.47761100648131993
Energy: 0.4724900821669234
Energy: 0.4773303271764226
Energy: 0.45029294680812465
Energy: 0.47345060266515143
Energy: 0.42728944470097074
Energy: 0.45487899392688097
Energy: 0.4740681605399113
Energy: 0.4239416416353736
Energy: 0.4467777683234967
Energy: 0.42281272338363035
Energy: 0.42255371461986146
Energy: 0.4216745295561535
Energy: 0.4597739561534988
Energy: 0.4667431249636411
Energy: 0.42140638271278275
Energy: 0.42170732905117425
Energy: 0.42687510843566306
Energy: 0.42182098351149283
Energy: 0.459735432455766
Energy: 0.4241306595944214
Energy: 0.42158355210190734
Energy: 0.44939794846623016
Energy: 0.42192146945998105
Energy: 0.4860799003131402
Energy: 0.4245725884924583
Energy: 0.4218689234631727
Energy: 0.48788856707835415
Energy: 0.422078247657992
Energy: 0.4882427226437082
Energy: 0.484925519708909
Energy: 0.42217299627907984
Energy: 0.4198226778400191
Energy: 0.4823558556681288
Energy: 0.42563951546329426
Energy: 0.42870853627117267
Energy: 0.4216884353204702
Energy: 0.4266112707874827
Energy: 0.4291097810448442
Energy: 0.4216721072374932
Energy: 0.4095021500991699
Energy: 0.42752173750785993
Energy: 0.4455517936703301
Energy: 0.41050259273936934
Energy: 0.458155962186339
Energy: 0.4329656891314378
Energy: 0.4090515833194619
Energy: 0.475377970259061
Energy: 0.47057219196930355
Energy: 0.4088226972367329
Energy: 0.4731517207320613
Energy: 0.4455230798666661
Energy: 0.4279858409861279
Energy: 0.43340219417677095
Energy: 0.4792641541448857
Energy: 0.42787754359799823
Energy: 0.43315455422290045
Energy: 0.47822688002098035
Energy: 0.5473058202934331
Energy: 0.43962214044470327
Energy: 0.4336789429987638
Energy: 0.5471197247241105
Energy: 0.41302636790693575
Energy: 0.49802799583348223
Energy: 0.5431473645682935
Energy: 0.4711113470673502
Energy: 0.47573527165121005
Energy: 0.47504681365496754
Energy: 0.4738934821915833
Energy: 0.5271986587603915
Energy: 0.4326767802973546
Energy: 0.47989951966381306
Energy: 0.4742896483088131
Energy: 0.4350393895343578
Energy: 0.4791677302967183
Energy: 0.4791969052569015

minimum gb energy = 0.4084595719686713 eV
minimum distance =  2.64060109762066 Angstroms
sigma value = 41


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

Energy: 0.7032226223402287
Energy: 0.5133773929874453
Energy: 0.5431554951971536
Energy: 0.564255827378109
Energy: 0.5135921733408014
Energy: 0.5431151785207796
Energy: 0.5698192263936018
Energy: 0.5152747439975163
Energy: 0.5155039445284787
Energy: 0.5126768638805688
Energy: 0.5130786741406314
Energy: 0.54622336232711
Energy: 0.5777067454512969
Energy: 0.48149585825362273
Energy: 0.4797236028453818
Energy: 0.5763962272807766
Energy: 0.5049576997805383
Energy: 0.5073605875367165
Energy: 0.5162124190635126
Energy: 0.5068067775358112
Energy: 0.4799173807849834
Energy: 0.5165339213040901
Energy: 0.5041447130888812
Energy: 0.5082299782420592
Energy: 0.5034643089464682
Energy: 0.5147991099845626
Energy: 0.5076007520982889
Energy: 0.5053507801725788
Energy: 0.5139244059542457
Energy: 0.48136416319146486
Energy: 0.5318457303824089
Energy: 0.5336317167162504
Energy: 0.5247590274274241
Energy: 0.5060628750379251
Energy: 0.5281917678529084
Energy: 0.48143114613097127
Energy: 0.503068087201846
Energy: 0.5082990138449052
Energy: 0.4900367354972928
Energy: 0.5053021617244071
Energy: 0.5088316942935535
Energy: 0.48233816874930086
Energy: 0.5059794454475782
Energy: 0.5256014010926645
Energy: 0.5277211509343203
Energy: 0.5069714977990222
Energy: 0.5107730419026922
Energy: 0.5039859670170448
Energy: 0.5552213838927514
Energy: 0.4827707282935304
Energy: 0.48091168119304734
Energy: 0.5451049408179248
Energy: 0.517561902699643
Energy: 0.48082086598171203
Energy: 0.5281136270529163
Energy: 0.5079911610629102
Energy: 0.5093305827300282
Energy: 0.5079381447662362
Energy: 0.5045410919984691
Energy: 0.4810322572165901
Energy: 0.5724951260611334
Energy: 0.5059068147607906
Energy: 0.4903804490373468
Energy: 0.5694440639283693
Energy: 0.47312744229349524
Energy: 0.5103548013045373
Energy: 0.576759935063375
Energy: 0.5710376285332126
Energy: 0.5687133756742991
Energy: 0.5769940310846615
Energy: 0.5650564379555995
Energy: 0.5568886124075338
Energy: 0.5711440949370482
Energy: 0.50687699467684
Energy: 0.5153047469240416
Energy: 0.5117303389304815
Energy: 0.5069150332139165
Energy: 0.5155547254463853
Energy: 0.4713057298488109
Energy: 0.5150370663983991
Energy: 0.4730800854552467
Energy: 0.4734965003159651
Energy: 0.5148064555546545
Energy: 0.5101493274085261

minimum gb energy = 0.4713057298488109 eV
minimum distance =  2.64504511245093 Angstroms
sigma value = 11


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

Energy: 0.5453962494973894
Energy: 0.6329765253178212
Energy: 0.6300098318304058
Energy: 0.6318310950189261
Energy: 0.6232583695254922
Energy: 0.6234611388412289
Energy: 0.6681895891505243
Energy: 0.555946149484377
Energy: 0.5559923813967482
Energy: 0.5883078105654298
Energy: 0.5541250172830303
Energy: 0.5599462988584185
Energy: 0.6276036046058795
Energy: 0.5674183127932317
Energy: 0.5722010213005247
Energy: 0.5907373097898244
Energy: 0.5746315510759165
Energy: 0.571649570484
Energy: 0.5840292599440645
Energy: 0.5550162433438028
Energy: 0.5710430084346189
Energy: 0.582358162112335
Energy: 0.5700774070121104
Energy: 0.564694463038539
Energy: 0.5749904705538812
Energy: 0.5547762573815751
Energy: 0.5539818978805234
Energy: 0.5698608781575687
Energy: 0.560493262812437
Energy: 0.5545846721487269
Energy: 0.5909216771262468
Energy: 0.5589325849356107
Energy: 0.5727712830806002
Energy: 0.5658386917240403
Energy: 0.5591840052274651
Energy: 0.5661006278960716
Energy: 0.571121730258121
Energy: 0.5738057817150134
Energy: 0.5592596286767627
Energy: 0.5592771029880039
Energy: 0.5530867512020275
Energy: 0.5595687320383528
Energy: 0.5598876309662305
Energy: 0.582587802879749
Energy: 0.5725380712109691
Energy: 0.5604914814763882
Energy: 0.5866939317591846
Energy: 0.5559232994591471
Energy: 0.5398107246485871
Energy: 0.5668018445647691
Energy: 0.5778775369590656
Energy: 0.553238353676019
Energy: 0.5626712658337398
Energy: 0.5463070756136823
Energy: 0.5400671785561441
Energy: 0.5789734195132921
Energy: 0.573838031742992
Energy: 0.5548878503497282
Energy: 0.5784501992274812
Energy: 0.5763524916980304
Energy: 0.560021077113915
Energy: 0.5701957748017383
Energy: 0.5600150640161027
Energy: 0.560423227022695
Energy: 0.5775842202292238
Energy: 0.5559247091170264
Energy: 0.5543910862694397
Energy: 0.580302505445221
Energy: 0.5833492567983274
Energy: 0.554742754333126
Energy: 0.5772148508477937
Energy: 0.5704780706852195
Energy: 0.5529788416790059
Energy: 0.5677911785193576
Energy: 0.5781422378248594
Energy: 0.5531656322997643
Energy: 0.5748659084991672
Energy: 0.6073532506388211
Energy: 0.5768962822457755
Energy: 0.5932433226571289
Energy: 0.5808403949192184
Energy: 0.5700951747016006
Energy: 0.6677498771116555
Energy: 0.5741721279086148
Energy: 0.5428577551655094
Energy: 0.5755228915698889
Energy: 0.5861849853610143
Energy: 0.5432233442318773
Energy: 0.5763169502336204
Energy: 0.5812193653620708
Energy: 0.5430080982042474
Energy: 0.5736350596200488
Energy: 0.543342470076782
Energy: 0.5441045274564932
Energy: 0.585585479350363
Energy: 0.5425194991120563
Energy: 0.5424502205686761
Energy: 0.5797046936504044
Energy: 0.5737755371117256
Energy: 0.5424106403983654
Energy: 0.5706791747699401
Energy: 0.5903434366438074
Energy: 0.5912895468632132
Energy: 0.5749721715532218
Energy: 0.5746647473156773
Energy: 0.5693250256662644
Energy: 0.5752834846258239
Energy: 0.5768171568796714
Energy: 0.562828377153162
Energy: 0.5643080377587054
Energy: 0.5645785677791256
Energy: 0.5631449828724756
Energy: 0.5627262590991537
Energy: 0.5891347972964017
Energy: 0.5800189573405454
Energy: 0.5729185528644409
Energy: 0.5725158191376201
Energy: 0.5679598642673092
Energy: 0.5723333105721073
Energy: 0.5646272314780184
Energy: 0.6068119349823954
Energy: 0.5579878371638499
Energy: 0.5683009027181153
Energy: 0.5676869862469661
Energy: 0.5682680308754184
Energy: 0.5604844774662247
Energy: 0.5594980455166086
Energy: 0.5778020054958709
Energy: 0.5608114865992653
Energy: 0.5831108996055334
Energy: 0.5684985506274884
Energy: 0.5700586507082468
Energy: 0.5537668655125156
Energy: 0.5708138330144945
Energy: 0.5704053254861666
Energy: 0.5778830760152407
Energy: 0.5686153708236126
Energy: 0.5701756586082133
Energy: 0.6069909253044891
Energy: 0.5469172134954612
Energy: 0.5849108320879535
Energy: 0.5605808598495048
Energy: 0.5640800892548555
Energy: 0.5757634133288251
Energy: 0.6034355102159484
Energy: 0.5667649925710908
Energy: 0.6026515910674399
Energy: 0.6044595926948078
Energy: 0.5777323083823391
Energy: 0.606986419730374
Energy: 0.6067280285463958
Energy: 0.5574941352504025
Energy: 0.5781732972372483
Energy: 0.5788350253779878
Energy: 0.5424801988073351
Energy: 0.5773531984008616
Energy: 0.6073791143975537
Energy: 0.5423778602893448
Energy: 0.5425494855552655
Energy: 0.576511107996636
Energy: 0.5446646024679626
Energy: 0.5425874471100179
Energy: 0.6075749024798862
Energy: 0.561182135700756
Energy: 0.5807632700601171
Energy: 0.5779670167112761
Energy: 0.5431996187590558
Energy: 0.5823950179657582
Energy: 0.6048621399733499
Energy: 0.573490497780904
Energy: 0.577012072074291
Energy: 0.6665675124878915
Energy: 0.572542372227676
Energy: 0.6356438224014813
Energy: 0.6676608321567296
Energy: 0.5532852766487425
Energy: 0.6046570394819889
Energy: 0.5605527823551637
Energy: 0.5533324518213807
Energy: 0.579898281612192
Energy: 0.5462961109758622
Energy: 0.5573191165063774
Energy: 0.562948392998466
Energy: 0.57563797635131
Energy: 0.5552785960310843
Energy: 0.5633286939346493

minimum gb energy = 0.5398107246485871 eV
minimum distance =  2.63839534983308 Angstroms
sigma value = 57


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

Energy: 0.808450777823187
Energy: 0.8665487918182561
Energy: 0.6080748470051012
Energy: 0.6092366642733652
Energy: 0.8615781617277066
Energy: 0.6091417916163602
Energy: 0.603754100542323
Energy: 0.5607284335869995
Energy: 0.5617762448514259
Energy: 0.5576401483802793
Energy: 0.5594928988496609
Energy: 0.5592037601756332
Energy: 0.5881504849789659
Energy: 0.5553748408742765
Energy: 0.5374857959929012
Energy: 0.5891024246691333
Energy: 0.5565830068425257
Energy: 0.5369556574535498
Energy: 0.5585381057676143
Energy: 0.536211186608459
Energy: 0.5352434259321338
Energy: 0.5576780048702649
Energy: 0.5972120151832503
Energy: 0.5627942323963226
Energy: 0.5758683699627976
Energy: 0.5605687984495674
Energy: 0.5622073082053286
Energy: 0.574401252390449
Energy: 0.5572569026251349
Energy: 0.5648316565864036
Energy: 0.5585162116724336
Energy: 0.572580894979561
Energy: 0.5696626567621823
Energy: 0.5586936442280801
Energy: 0.5716894665839792
Energy: 0.5513916112362715
Energy: 0.5753599367663061
Energy: 0.5881823953686239
Energy: 0.5311718374492812
Energy: 0.5737425817930768
Energy: 0.5843794059681603
Energy: 0.5695764153986368
Energy: 0.6057244104573568
Energy: 0.5596851112575968
Energy: 0.5359593492553141
Energy: 0.5590600873016849
Energy: 0.5751489207595198
Energy: 0.5622008705506389
Energy: 0.5243114163409989
Energy: 0.5595269615888956
Energy: 0.5601337723933515
Energy: 0.5248666972942954
Energy: 0.5581791097813937
Energy: 0.5243626791852263
Energy: 0.5245049505948906
Energy: 0.5599110286622543
Energy: 0.559263476028684
Energy: 0.5242858202166015
Energy: 0.5608325184120859
Energy: 0.5588262846583826
Energy: 0.6054478924818255
Energy: 0.5594951098666935
Energy: 0.5359895118109234
Energy: 0.5592449833663092
Energy: 0.5584184830839898
Energy: 0.5626566712775278
Energy: 0.5862043058163514
Energy: 0.5856362270721849
Energy: 0.5560949675990411
Energy: 0.559531366265626
Energy: 0.5552625412057594
Energy: 0.537557046988078
Energy: 0.5582246311054957
Energy: 0.5592588628059115
Energy: 0.5595794158687152
Energy: 0.5592832371097232
Energy: 0.5587332873261578
Energy: 0.5511429711089126
Energy: 0.5582313007023922
Energy: 0.5925546540987958
Energy: 0.5935206805460602
Energy: 0.560312738233103
Energy: 0.5889381127449496
Energy: 0.6017575029777255
Energy: 0.5755564578070189
Energy: 0.5818846407984151
Energy: 0.5616998015147392
Energy: 0.5754862423855812
Energy: 0.581347671095999
Energy: 0.5918837133521716
Energy: 0.5882943958850432
Energy: 0.5819895862205924
Energy: 0.5592153341310195
Energy: 0.589732854296821
Energy: 0.5812508310515303
Energy: 0.5368571012425604
Energy: 0.5227426429466608
Energy: 0.5609476636336398
Energy: 0.5631078583966237
Energy: 0.5230426426271627
Energy: 0.5602027885683195
Energy: 0.5588902434291008

minimum gb energy = 0.5227426429466608 eV
minimum distance =  2.63496171470322 Angstroms
sigma value = 9


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

Energy: 0.6868999672292634
Energy: 0.6469110412582102
Energy: 0.6768846439252137
Energy: 0.6584658094620721
Energy: 0.633270692649845
Energy: 0.6787026323996527
Energy: 0.6920947528264839
Energy: 0.5972770645140778
Energy: 0.5986577258577042
Energy: 0.5853382348148188
Energy: 0.6015227955726077
Energy: 0.586533741830074
Energy: 0.6063548046732055
Energy: 0.5974351984209533
Energy: 0.5996765053320687
Energy: 0.5724504777011983
Energy: 0.615342205099828
Energy: 0.5767962702022313
Energy: 0.5722427467064786
Energy: 0.5812722060641334
Energy: 0.5818011111789861
Energy: 0.5816835894763017
Energy: 0.580627285214008
Energy: 0.5834101589221551
Energy: 0.5688918006293291
Energy: 0.5892902016128162
Energy: 0.5922274061006743
Energy: 0.6291194374152568
Energy: 0.587596284799973
Energy: 0.5792417071903958
Energy: 0.5905275320400125
Energy: 0.5899338095213194
Energy: 0.5885571447410164
Energy: 0.5979835315919616
Energy: 0.600006794881543
Energy: 0.5886343407613839
Energy: 0.569152321000769
Energy: 0.5639220348919802
Energy: 0.5755273247762848
Energy: 0.5695654910708096
Energy: 0.6253613505208422
Energy: 0.581958123451584
Energy: 0.6145476438744117
Energy: 0.5916569582532983
Energy: 0.5912658154855015
Energy: 0.5795855865064808
Energy: 0.5907824865607254
Energy: 0.5908268541531887
Energy: 0.5872543218673086
Energy: 0.5826862924424357
Energy: 0.5843435233209268
Energy: 0.6000947781114097
Energy: 0.5809592558077242
Energy: 0.5940077845238593
Energy: 0.5895482954108389
Energy: 0.5716996023192574
Energy: 0.5743937750961371
Energy: 0.580393528281616
Energy: 0.5697787907341962
Energy: 0.5691565999300249
Energy: 0.5870661539193353
Energy: 0.5910247343280206
Energy: 0.5908001799433799
Energy: 0.5954790044674255
Energy: 0.5950929268330247
Energy: 0.5700924917161438
Energy: 0.5968172048313453
Energy: 0.613782172850874
Energy: 0.6098461337326402
Energy: 0.6001949613644509
Energy: 0.6168647933010197
Energy: 0.5989519628592131
Energy: 0.6073175720715048
Energy: 0.582560039564002
Energy: 0.5844276948588749
Energy: 0.605748235767494
Energy: 0.5816977007014367
Energy: 0.5974674289177603
Energy: 0.6031310156435548
Energy: 0.596119141380178
Energy: 0.5863042580337393
Energy: 0.5717117562984334
Energy: 0.5939114886204367
Energy: 0.583416212941111
Energy: 0.5908032663407066
Energy: 0.5981011213155839
Energy: 0.5997163465290052
Energy: 0.5893271654916001
Energy: 0.5916007539129592
Energy: 0.5866023726247965
Energy: 0.5815098516497612
Energy: 0.5851236202530976
Energy: 0.5678762086208582
Energy: 0.5811836803795537
Energy: 0.6077272224134036
Energy: 0.580135310956196
Energy: 0.5847410982681589
Energy: 0.6006776924308189
Energy: 0.5850775311123322
Energy: 0.5829998515083008
Energy: 0.594300982485385
Energy: 0.5866154528886213
Energy: 0.6241174697685952
Energy: 0.593567472624553
Energy: 0.5963370978148922
Energy: 0.6643985708570812
Energy: 0.5855547726238358
Energy: 0.5897836786255314
Energy: 0.5871852693521984
Energy: 0.6035314823355409
Energy: 0.5852422294948865
Energy: 0.586129734339422
Energy: 0.6381660259594879
Energy: 0.5839195665127743
Energy: 0.5814250671275627
Energy: 0.6056184483203865
Energy: 0.5865197048200779
Energy: 0.5977813418145682
Energy: 0.6007069839558561
Energy: 0.6006223664695808
Energy: 0.5761897050793197
Energy: 0.5863538863505169
Energy: 0.5873953223538899
Energy: 0.5907617081983476
Energy: 0.5854406346469793
Energy: 0.5972348987695498

minimum gb energy = 0.5639220348919802 eV
minimum distance =  2.6161861660427 Angstroms
sigma value = 27


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

Energy: 0.8248549155580657
Energy: 0.8660248053443543
Energy: 0.5691056583789242
Energy: 0.6074584485193744
Energy: 0.8642471521144018
Energy: 0.5597658262196528
Energy: 0.6701735368681148
Energy: 0.5928915274698394
Energy: 0.6146745650995223
Energy: 0.5945863965078445
Energy: 0.5929931547209871
Energy: 0.5988452583109994
Energy: 0.6076164433240635
Energy: 0.6086734842192356
Energy: 0.6350544041295729
Energy: 0.588243949652936
Energy: 0.6098128263235083
Energy: 0.5685109589545454
Energy: 0.6073044384780962
Energy: 0.6016210686675874
Energy: 0.6084366048933119
Energy: 0.5912699740263654
Energy: 0.6089313200633919
Energy: 0.5966682549030616
Energy: 0.6220778056092549
Energy: 0.6071299637557833
Energy: 0.6070412241731569
Energy: 0.6178388645834332
Energy: 0.5672541070296504
Energy: 0.5924656326443364
Energy: 0.6400132994113681
Energy: 0.6110222910457671
Energy: 0.5969899361983388
Energy: 0.6330999118601168
Energy: 0.6121406954729891
Energy: 0.5893669043396743
Energy: 0.5748979326055873
Energy: 0.5641333843980318
Energy: 0.5521109192617393
Energy: 0.5611858568145289
Energy: 0.5536771562798611
Energy: 0.5546566719775788
Energy: 0.615837897137242
Energy: 0.5638464612370799
Energy: 0.5636039202034824
Energy: 0.5582165266240039
Energy: 0.5706762249409951
Energy: 0.5978637482411042
Energy: 0.6512268346759505
Energy: 0.5844814210085291
Energy: 0.5291229023469991
Energy: 0.5622680809157434
Energy: 0.555239645017672
Energy: 0.5395022356223588
Energy: 0.6537638611195526
Energy: 0.5318271722262733
Energy: 0.5318571239682616
Energy: 0.5672997519924865
Energy: 0.5328762258516906
Energy: 0.5328934852295737
Energy: 0.6122783767210722
Energy: 0.6301361013300264
Energy: 0.5663170764822739
Energy: 0.5685864562789671
Energy: 0.5942010025868303
Energy: 0.5646388186198918
Energy: 0.5268038166765473
Energy: 0.5290581337279647
Energy: 0.5269129512078347
Energy: 0.5268827084786691
Energy: 0.5304370621078245
Energy: 0.5315717148986235
Energy: 0.5817946755247315
Energy: 0.5316828456193022
Energy: 0.5321412468022088
Energy: 0.5276988938277066
Energy: 0.5306006169806029
Energy: 0.53417723819004
Energy: 0.526727278242273
Energy: 0.5297546771953753
Energy: 0.5306121208913109
Energy: 0.5659059195795301
Energy: 0.5291566013829477
Energy: 0.528693613479786
Energy: 0.5283091772563445
Energy: 0.5349847589222989
Energy: 0.5323778381762875
Energy: 0.5271684833396603
Energy: 0.5283592314748925
Energy: 0.5306665382312715
Energy: 0.6112100343592353
Energy: 0.5393587406980159
Energy: 0.5396022370850967
Energy: 0.5830643435379117
Energy: 0.5359826727691425
Energy: 0.5329671018919496
Energy: 0.5820814376665965
Energy: 0.5631729694354536
Energy: 0.5495051432322159
Energy: 0.5840461765910884
Energy: 0.565656867996506
Energy: 0.528647347057573
Energy: 0.6431358112137188
Energy: 0.5953275255429666
Energy: 0.5882240217087832
Energy: 0.5824698448725414
Energy: 0.6063050839279543
Energy: 0.5907056639215769
Energy: 0.6064108325489577
Energy: 0.5595133632780624
Energy: 0.5637151507555876
Energy: 0.6066465104796886
Energy: 0.6011069992721251
Energy: 0.5767255619256264
Energy: 0.5759095845503953
Energy: 0.5986881858004526
Energy: 0.5646944251488629
Energy: 0.5548542499615803
Energy: 0.6021239943357843
Energy: 0.5676256517904434
Energy: 0.6853365285692652
Energy: 0.5954959074824705
Energy: 0.5972891247369412
Energy: 0.6006170944820867
Energy: 0.6024716703655608
Energy: 0.5991723223011374
Energy: 0.6131208228650319
Energy: 0.6280964573313769
Energy: 0.6324438668602268
Energy: 0.6113169648736556
Energy: 0.628761251993245
Energy: 0.6057017483483145
Energy: 0.6228614212622873
Energy: 0.5989388553216188
Energy: 0.6038167287593522
Energy: 0.628155652600114
Energy: 0.6072164320508074
Energy: 0.6054115760823221
Energy: 0.5763678187815064
Energy: 0.6173778621642457
Energy: 0.6117763775318813
Energy: 0.5646355189950986
Energy: 0.6357881599589836
Energy: 0.5952739882886259
Energy: 0.5833964753286266
Energy: 0.6285231818786128
Energy: 0.6034986590211744
Energy: 0.582903198969738
Energy: 0.618436559094775
Energy: 0.5675268517368478

minimum gb energy = 0.526727278242273 eV
minimum distance =  2.63861261364525 Angstroms
sigma value = 19


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

Energy: 0.6177359794807656
Energy: 0.5951827301757846
Energy: 0.6044552962902651
Energy: 0.5978132290913858
Energy: 0.6040456392824867
Energy: 0.5623789103290219
Energy: 0.582111260033093
Energy: 0.5935819748875723
Energy: 0.5808442670295896
Energy: 0.6220136851340219
Energy: 0.5866890145314885
Energy: 0.5848414297184077
Energy: 0.5808269201490648
Energy: 0.561712474336059
Energy: 0.56068833101277
Energy: 0.5712911996109201
Energy: 0.5703263210538146
Energy: 0.5676235291880385
Energy: 0.5758166116704
Energy: 0.5600108141716366
Energy: 0.5609332561855361
Energy: 0.5704192553682633
Energy: 0.561427882618771
Energy: 0.5604887248256718
Energy: 0.6037387886132135
Energy: 0.5681091748363089
Energy: 0.5638927615004248
Energy: 0.5918504630667323
Energy: 0.5741524698976496
Energy: 0.5635202017206882
Energy: 0.5973846056402045
Energy: 0.6077270125417483
Energy: 0.57146068446552
Energy: 0.5843298904659129
Energy: 0.6086018769948978
Energy: 0.56676838989117
Energy: 0.6065871458042515
Energy: 0.5654873702688717
Energy: 0.5672760972884733
Energy: 0.5884249861489964
Energy: 0.5640909295288761
Energy: 0.5665376291736441
Energy: 0.6033557114970503
Energy: 0.5891011639218733
Energy: 0.5837686656408703
Energy: 0.593748531622608
Energy: 0.5934086376392652
Energy: 0.582881519542001
Energy: 0.5988712502595914
Energy: 0.5714210069378893
Energy: 0.5698102334208454
Energy: 0.5923342384779874
Energy: 0.5675991053862814
Energy: 0.5673317524007356
Energy: 0.5974855195535773
Energy: 0.5741479653762539
Energy: 0.5693935410422993
Energy: 0.5892378990622538
Energy: 0.574902213031392
Energy: 0.5731446327660332
Energy: 0.578176048574366
Energy: 0.5505615281573524
Energy: 0.5581797031824446
Energy: 0.5720489999620954
Energy: 0.5547519662997024
Energy: 0.5601976342711499
Energy: 0.5798184510926071
Energy: 0.5844732970407253
Energy: 0.5821668356137795
Energy: 0.5551506409364129
Energy: 0.585931038210077
Energy: 0.5433714382806144
Energy: 0.6089853925062744
Energy: 0.5804497739799369
Energy: 0.5808201980470729
Energy: 0.592044690285461
Energy: 0.5783924564809928
Energy: 0.5718615631920888
Energy: 0.5929993510401126
Energy: 0.5785989568773648
Energy: 0.5833310800152359
Energy: 0.5822083454184349
Energy: 0.5781741982456385
Energy: 0.5858228824323716
Energy: 0.5801109197295881
Energy: 0.5811803890680106
Energy: 0.5550387227689314
Energy: 0.5642372873641798
Energy: 0.5811059399224174
Energy: 0.5639010415646843
Energy: 0.5792603153852738
Energy: 0.5684966593698361
Energy: 0.5702818077410746
Energy: 0.5704043593089777
Energy: 0.5792836610858706
Energy: 0.5694593134196314
Energy: 0.5882484958908047
Energy: 0.5754093393581264
Energy: 0.5775046225948282
Energy: 0.5816368852923616
Energy: 0.5742018192267606
Energy: 0.5707642378719177
Energy: 0.5896630341101722
Energy: 0.5697105634939831
Energy: 0.5694979544997969
Energy: 0.5850074439451782
Energy: 0.5667038404233389
Energy: 0.5663775576102369
Energy: 0.5944486626849709
Energy: 0.5914262284199211
Energy: 0.5604250200711872
Energy: 0.5878541570068428
Energy: 0.5917043425847089
Energy: 0.575156147125276
Energy: 0.5805813660636779
Energy: 0.5896788413452527
Energy: 0.5494062002574706
Energy: 0.5777599609406932
Energy: 0.5930898004095253
Energy: 0.5609854000990969
Energy: 0.5807226964971811
Energy: 0.5666973620343455
Energy: 0.5626055767437996
Energy: 0.5814599913471248
Energy: 0.568567752494585
Energy: 0.5691801795740858
Energy: 0.5832871830169837
Energy: 0.5617019596188532
Energy: 0.5629061334703834
Energy: 0.5828186625396043
Energy: 0.5546174482749118
Energy: 0.5778113180764024
Energy: 0.5952173533487498
Energy: 0.5936397771457875
Energy: 0.5916171348858279
Energy: 0.5803056396997648
Energy: 0.5921089768989308
Energy: 0.5776971417126634
Energy: 0.6023757635726693
Energy: 0.5751946497813363
Energy: 0.57899415210053
Energy: 0.5830761190540072
Energy: 0.5754981982808639
Energy: 0.5946748152278303
Energy: 0.5938256887582732
Energy: 0.5657778940676228
Energy: 0.5532842625858613
Energy: 0.5868889815769877
Energy: 0.5609631051999134
Energy: 0.5510590422419872
Energy: 0.5979849736369874
Energy: 0.5612280268894154
Energy: 0.5631373755315894
Energy: 0.5875644365011391
Energy: 0.5708962125656291
Energy: 0.5617138867040521
Energy: 0.5813908019309681
Energy: 0.5752784736586707
Energy: 0.5742956685623216
Energy: 0.5734380340690027
Energy: 0.5726683881984876
Energy: 0.57045595938597
Energy: 0.5807658286473498
Energy: 0.5943255235133287
Energy: 0.5755090098049744
Energy: 0.5737957281100006
Energy: 0.5910077521813017
Energy: 0.5682039989286675
Energy: 0.5920664014134411
Energy: 0.5654641152423674
Energy: 0.5679143380818956
Energy: 0.5744539054036097
Energy: 0.6090186525074256
Energy: 0.5891217792760982

minimum gb energy = 0.5433714382806144 eV
minimum distance =  2.61253908089735 Angstroms
sigma value = 101


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

Energy: 0.8993276155109048
Energy: 0.9289687323160342
Energy: 0.565190146129714
Energy: 0.5478973040247923
Energy: 0.5480015908742486
Energy: 0.5448896659777714
Energy: 0.5817220899748098
Energy: 0.5760354369466298
Energy: 0.556926282934077
Energy: 0.5793317482113265
Energy: 0.5784228930904728
Energy: 0.5583312610658616
Energy: 0.584331196857722
Energy: 0.5531642774985552
Energy: 0.547544218276177
Energy: 0.5673093743231077
Energy: 0.562274281371789
Energy: 0.5427719246112988
Energy: 0.5708792802694707
Energy: 0.5613480695226649
Energy: 0.5617525671349459
Energy: 0.5624687273249731
Energy: 0.5618231101526505
Energy: 0.5440693968536302
Energy: 0.5781285936953483
Energy: 0.5620834722111295
Energy: 0.5596807104663993
Energy: 0.5795584783727052
Energy: 0.5648717133124751
Energy: 0.5587751663929955
Energy: 0.57111751344211
Energy: 0.5776876582438082
Energy: 0.5590276571408047
Energy: 0.5722741382627216
Energy: 0.5792436560916195
Energy: 0.5757193870879761
Energy: 0.5779181100107671
Energy: 0.5480989484076665
Energy: 0.5562480813895431
Energy: 0.5713423936941031
Energy: 0.5580023605279818
Energy: 0.5564198166044033
Energy: 0.5658645533336956
Energy: 0.5864701504941844
Energy: 0.5863451331655832
Energy: 0.5679205914557913
Energy: 0.5711397686180534
Energy: 0.5758360276276838
Energy: 0.5652270805920587
Energy: 0.5571332877681485
Energy: 0.542870623308719
Energy: 0.5656016383650182
Energy: 0.5580124783214275
Energy: 0.543647317250427
Energy: 0.5652222440569651
Energy: 0.5743946149953854
Energy: 0.5590603345728492
Energy: 0.560934668725129
Energy: 0.572709433911875
Energy: 0.5601475769697508
Energy: 0.6522991021073993
Energy: 0.5228462610555259
Energy: 0.5503645731423858
Energy: 0.6520780134147746
Energy: 0.5225360534311435
Energy: 0.5516675758831155
Energy: 0.5861298899069007
Energy: 0.5705965672508785
Energy: 0.5599516715490812
Energy: 0.5622927308348438
Energy: 0.569135719114202
Energy: 0.5634795734873002
Energy: 0.5663464040468528
Energy: 0.5610609148668526
Energy: 0.5527629481931694
Energy: 0.5649467926522955
Energy: 0.5687722165787926
Energy: 0.5536662979018637
Energy: 0.5707894027892098
Energy: 0.5587333403622088
Energy: 0.5581053139785247
Energy: 0.5690835577068873
Energy: 0.5576388684273713
Energy: 0.5537350043146326
Energy: 0.5812200819864565
Energy: 0.5593561070631915
Energy: 0.5552068395762288
Energy: 0.5643868985505744
Energy: 0.5578854682265885
Energy: 0.5586152995781317
Energy: 0.5814640070969285
Energy: 0.5638648084251191
Energy: 0.561798311072014
Energy: 0.5668345301449561
Energy: 0.5685492113862769
Energy: 0.5596978714251544
Energy: 0.5532026112136793
Energy: 0.5960897510606867
Energy: 0.5699461270958578
Energy: 0.5513822054333819
Energy: 0.5981803703314623
Energy: 0.5500091847627533
Energy: 0.6037008202166785
Energy: 0.5792071785588576
Energy: 0.5567064353112001
Energy: 0.578156113266142
Energy: 0.5771404602249725
Energy: 0.5671246804265071
Energy: 0.5821921757829474
Energy: 0.5597231434041363
Energy: 0.5468463141026506
Energy: 0.5592734212443664
Energy: 0.5673998055410204
Energy: 0.5517593763957881
Energy: 0.5689727860308313
Energy: 0.5640312797318323
Energy: 0.56152939782184
Energy: 0.5600682081384227
Energy: 0.565667114406644
Energy: 0.5590412632505164
Energy: 0.5793112076247368
Energy: 0.553135402451526
Energy: 0.5537904138398859
Energy: 0.5771858250246048
Energy: 0.5590706277361486
Energy: 0.5602771052588359
Energy: 0.569886245744799
Energy: 0.5564485495522742
Energy: 0.545514918296261
Energy: 0.5719726665217846
Energy: 0.5571422232619085
Energy: 0.559970713958731
Energy: 0.5781354364952906
Energy: 0.5592002454794653
Energy: 0.5503189573089412
Energy: 0.5740604875380863
Energy: 0.5578304296904899
Energy: 0.5644333708191942
Energy: 0.5763066230512147
Energy: 0.5604561664923994
Energy: 0.5628237512557426
Energy: 0.5749703472923391
Energy: 0.5629646373487504
Energy: 0.5778520541277824
Energy: 0.5651482168842815
Energy: 0.5564050782877831
Energy: 0.5423473512743492
Energy: 0.5659338956495882
Energy: 0.5571681864864043
Energy: 0.5467004873326253
Energy: 0.5663819824136537
Energy: 0.5609607974209184
Energy: 0.5464754715056876
Energy: 0.5601708070799678
Energy: 0.5622314728337332
Energy: 0.5593501094189188
Energy: 0.556389778931391
Energy: 0.5442042396198539
Energy: 0.5228604682049892
Energy: 0.5524787729771274
Energy: 0.551351767144593
Energy: 0.5528306296215706
Energy: 0.5805824255653309
Energy: 0.5558723876086878
Energy: 0.5547276016538609
Energy: 0.5651158974971268
Energy: 0.5574534082975684
Energy: 0.5578586254996899
Energy: 0.5658238772438269
Energy: 0.5685380170385793
Energy: 0.5624988709958056
Energy: 0.5679701229117935
Energy: 0.5682517007410122
Energy: 0.5525924693988508
Energy: 0.5675557368271826
Energy: 0.5600819558310748
Energy: 0.561962201895639
Energy: 0.5650813803655185
Energy: 0.56540669564286
Energy: 0.5546723711624794
Energy: 0.5818122464474912
Energy: 0.5609211095212332
Energy: 0.5592120261008998
Energy: 0.5656671588910397
Energy: 0.5625149158239073
Energy: 0.562005555884757
Energy: 0.5821009465700931
Energy: 0.5636870162666525
Energy: 0.5576896577317544
Energy: 0.5662415807790953
Energy: 0.5690793646933907
Energy: 0.5463406097274084
Energy: 0.555739742187686
Energy: 0.5684706047908213
Energy: 0.5582715885915834
Energy: 0.5546825586677401
Energy: 0.5664043149079414
Energy: 0.5595852826365671

minimum gb energy = 0.5225360534311435 eV
minimum distance =  2.65310101108882 Angstroms
sigma value = 33


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

Energy: 0.013509616886141515
Energy: 0.6109635821524927
Energy: 0.014117060469860419
Energy: 0.014951201688587693
Energy: 0.6118244720097579
Energy: 0.013984888240333664
Energy: 0.2812568862699737
Energy: 0.07671155259335882
Energy: 0.07532299949083734
Energy: 0.08056894422733636
Energy: 0.07959729961944649
Energy: 0.07533080698339832
Energy: 0.8048630348508081
Energy: 0.6064856898059485
Energy: 0.6079324723691553
Energy: 0.6104705264337622
Energy: 0.60872904272544
Energy: 0.6080437585285356
Energy: 0.2812568862699737
Energy: 0.07671155259265909
Energy: 0.07532299949048746
Energy: 0.08056894422768623
Energy: 0.0795972996190966
Energy: 0.0753308069844285

minimum gb energy = 0.013509616886141515 eV
minimum distance =  2.8385054508351 Angstroms
sigma value = 1