Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667934
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.50112299202692e-19, 4.641089142773159e-19, 4.76429652592776e-19, 4.872683775217859e-19, 4.959409596416279e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.010353198429952044
Energy: 0.011064761968706212
Energy: 0.010914774983111266
Energy: 0.012019449281849559
Energy: 0.26793041825151875
Energy: 0.010818093950608716
Energy: 0.011064761968956732
Energy: 0.049681339877886255
Energy: 0.04976173613020577
Energy: 0.049826769729991005
Energy: 0.04965042180522555
Energy: 0.04974147558071597
Energy: 0.010914774982860745
Energy: 0.04976173612995524
Energy: 0.05155520052227033
Energy: 0.011187578261619006
Energy: 0.04978352926627814
Energy: 0.05103000688819974
Energy: 0.012019449281849559
Energy: 0.049826769729991005
Energy: 0.011187578261368488
Energy: 0.01055721925992658
Energy: 0.04989242205808834
Energy: 0.011973140389801521
Energy: 0.2679304183083033
Energy: 0.04965042180522555
Energy: 0.04978352926627814
Energy: 0.0498924220575873
Energy: 0.04967240808567179
Energy: 0.049870354268149446
Energy: 0.010818093950608716
Energy: 0.04974147558096649
Energy: 0.05103000688819974
Energy: 0.011973140389801521
Energy: 0.049870354268149446
Energy: 0.010830763840989662

minimum gb energy = 0.010353198429952044 eV
minimum distance =  2.85320117601947 Angstroms
sigma value = 1


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

Energy: 0.7544830816443157
Energy: 0.5722212467515307
Energy: 0.5545949090275815
Energy: 0.563640595976186
Energy: 0.5835902880352659
Energy: 0.5549852236690488
Energy: 0.7461360337242917
Energy: 0.530946949049448
Energy: 0.530928250514204
Energy: 0.5530396090642941
Energy: 0.5310885230686562
Energy: 0.5306682715866989
Energy: 0.7645899111768253
Energy: 0.5308349315375382
Energy: 0.5310861036283031
Energy: 0.543835543051209
Energy: 0.5308319671605971
Energy: 0.530755336209641
Energy: 0.772290085666942
Energy: 0.5308916895098391
Energy: 0.5399585695655688
Energy: 0.5428197583934713
Energy: 0.5310142540892963
Energy: 0.5376404999604409
Energy: 0.7201207311698995
Energy: 0.5351002873244939
Energy: 0.545128483834078
Energy: 0.5590772911639524
Energy: 0.532446960172008
Energy: 0.5550849834691206
Energy: 0.7115062204553114
Energy: 0.5535406583641805
Energy: 0.5573512674201111
Energy: 0.5563892336338414
Energy: 0.5515762418454702
Energy: 0.5584695981545195
Energy: 0.7138447582842328
Energy: 0.5579367378528179
Energy: 0.5579156849329113
Energy: 0.5618624414759097
Energy: 0.5709156204969159
Energy: 0.5598980031413763
Energy: 0.6834834396421965
Energy: 0.5607177745600836
Energy: 0.5553741544863017
Energy: 0.5572559606357795
Energy: 0.545099910298881
Energy: 0.5566650569820772
Energy: 0.6146110143425239
Energy: 0.5596443369308124
Energy: 0.5581576071940358
Energy: 0.5531389419967255
Energy: 0.5639995438027957
Energy: 0.5562240495035675
Energy: 0.6153628308409418
Energy: 0.553889702890861
Energy: 0.5411237938067133
Energy: 0.5332522397214405
Energy: 0.5534284376659464
Energy: 0.5307194400340508
Energy: 0.5888407583776977
Energy: 0.5475223289543314
Energy: 0.5476198516027221
Energy: 0.6319091348396086
Energy: 0.5435054367852677
Energy: 0.5308115322928169
Energy: 0.5327578597547787
Energy: 0.5427308050278152
Energy: 0.5305874465172188
Energy: 0.5326984578957533
Energy: 0.5159394691155876
Energy: 0.5308274168471441
Energy: 0.530909567666446
Energy: 0.53360133600085
Energy: 0.5309120213865749
Energy: 0.5309270531193513
Energy: 0.5349790484790699
Energy: 0.5310061085003366
Energy: 0.5594483581654324
Energy: 0.543381053272952
Energy: 0.5411367288964977
Energy: 0.5309491575242034
Energy: 0.539073872774739
Energy: 0.5311066959399859
Energy: 0.5608448838952618
Energy: 0.5336949354737105
Energy: 0.5309894635065582
Energy: 0.5330909066067996
Energy: 0.5610505086870448
Energy: 0.5310875679282493
Energy: 0.561371658837173
Energy: 0.544062239878428
Energy: 0.5444525330699478
Energy: 0.5481792235336667
Energy: 0.5508915498126479
Energy: 0.5443104046622051
Energy: 0.6692776516600067
Energy: 0.5525774835106322
Energy: 0.5557912428150736
Energy: 0.5443910507855361
Energy: 0.5540225607536456
Energy: 0.544770439272758
Energy: 0.6655512339168547
Energy: 0.5621406335858787
Energy: 0.5581346511198346
Energy: 0.5426366061640557
Energy: 0.5581485744281239
Energy: 0.5599009760697182
Energy: 0.6593545945618348
Energy: 0.5570064950746827
Energy: 0.5590481462661396
Energy: 0.5538304868585492
Energy: 0.5495925260618316
Energy: 0.5584523394524163
Energy: 0.6788919288732888
Energy: 0.5418228001806625
Energy: 0.559828081369924
Energy: 0.5546742925537228
Energy: 0.5446236917062838
Energy: 0.5578657668254171
Energy: 0.7448714784374921
Energy: 0.5435334785459206
Energy: 0.5476533395953002
Energy: 0.5476680256652334
Energy: 0.5430647722955942
Energy: 0.5389754447313151
Energy: 0.7338517516473424
Energy: 0.5462101159434606
Energy: 0.5443454720916
Energy: 0.5594534090239799
Energy: 0.5460807259812499
Energy: 0.5443047525275718
Energy: 0.7457616814126176
Energy: 0.5310224877095366
Energy: 0.5307971008807869
Energy: 0.5475677414289926
Energy: 0.531046826269304
Energy: 0.5306564738152546

minimum gb energy = 0.5159394691155876 eV
minimum distance =  2.64674616567241 Angstroms
sigma value = 33


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

Energy: 1.0474641679368095
Energy: 0.5805742448203632
Energy: 0.5640785941295159
Energy: 0.5643822643212638
Energy: 0.5601906614865386
Energy: 0.5801466749625933
Energy: 0.6938587951363709
Energy: 0.5531871593059785
Energy: 0.5531873987095458
Energy: 0.562744956916643
Energy: 0.5531002658044297
Energy: 0.5766468495010553
Energy: 0.6971066070325919
Energy: 0.5760080166457298
Energy: 0.562231810254618
Energy: 0.5606693496955502
Energy: 0.5630831551845095
Energy: 0.5743679049678908
Energy: 0.744852522975579
Energy: 0.5662437481714365
Energy: 0.5679474557612562
Energy: 0.5669831843127046
Energy: 0.5922694613886021
Energy: 0.5669556545918166
Energy: 0.6954142682444068
Energy: 0.5809695240381173
Energy: 0.5842626858518037
Energy: 0.5757216411107648
Energy: 0.5814641648509219
Energy: 0.5634669074872343
Energy: 0.7324636890825826
Energy: 0.5819629644233937
Energy: 0.5829212440282062
Energy: 0.5835529028900146
Energy: 0.5793065720626829
Energy: 0.5880712906683381
Energy: 0.7334806978794747
Energy: 0.5711631293766809
Energy: 0.5828520647976083
Energy: 0.580282845063956
Energy: 0.5731071656128737
Energy: 0.5836789886331896
Energy: 0.6889919640056071
Energy: 0.5724582065137283
Energy: 0.5712153914053782
Energy: 0.5915970133158946
Energy: 0.5657745395488466
Energy: 0.5696250914812837
Energy: 0.6324748043688203
Energy: 0.5767701007094787
Energy: 0.5784807313125777
Energy: 0.571406016366774
Energy: 0.5740833187969894
Energy: 0.5766681456964781
Energy: 0.6310634275638184
Energy: 0.5687014524478329
Energy: 0.5579656253550255
Energy: 0.5571546128024987
Energy: 0.565728331761775
Energy: 0.5572055422894412
Energy: 0.6218725280365278
Energy: 0.5296637262312299
Energy: 0.5294134969853793
Energy: 0.6209521561549329
Energy: 0.5297450240519846
Energy: 0.5294750734027652
Energy: 0.5712023985072299
Energy: 0.5297174473339198
Energy: 0.5569115308778698
Energy: 0.556174476734609
Energy: 0.5436548746439541
Energy: 0.5568466478921759
Energy: 0.5706879675901286
Energy: 0.5689612745417402
Energy: 0.5557526816936699
Energy: 0.5652784984882532
Energy: 0.5743086115890439
Energy: 0.556672035838711
Energy: 0.627671773562693
Energy: 0.5654809253323142
Energy: 0.564809490074171
Energy: 0.5600248280774939
Energy: 0.5661861548924567
Energy: 0.5780419667338863
Energy: 0.619055074334379
Energy: 0.5714948680561528
Energy: 0.5555667972738224
Energy: 0.5645313783567292
Energy: 0.5826079587683075
Energy: 0.5550933345243602
Energy: 0.6178297992990226
Energy: 0.5899752038288516
Energy: 0.5885884716879304
Energy: 0.5710856493516029
Energy: 0.5891752357386665
Energy: 0.5829678060667721
Energy: 0.6994929552407839
Energy: 0.5834974363203835
Energy: 0.5904615918403693
Energy: 0.6149518080242469
Energy: 0.5836223486823845
Energy: 0.5872413866134856
Energy: 0.6845992477596684
Energy: 0.5898801118012339
Energy: 0.5902613197375509
Energy: 0.5553291284489295
Energy: 0.5924843471464876
Energy: 0.5698237452518042
Energy: 0.6834152135451632
Energy: 0.5835957912104577
Energy: 0.5822444882175234
Energy: 0.5661063922461799
Energy: 0.5842556073584516
Energy: 0.5770247549192042
Energy: 0.7363098787275493
Energy: 0.5693088765416003
Energy: 0.5765734671216155
Energy: 0.5770242829984957
Energy: 0.5668725564345731
Energy: 0.5782236872747261
Energy: 0.8150336776299518
Energy: 0.5674890247611546
Energy: 0.5529165537641254
Energy: 0.5524671574374885
Energy: 0.5674906468404408
Energy: 0.5520465181545771
Energy: 0.7804143595864017
Energy: 0.5655009666086805
Energy: 0.5655165258893381
Energy: 0.561973223328198
Energy: 0.5655479361357842
Energy: 0.5653346308849323
Energy: 0.7332334050678724
Energy: 0.570048942421647
Energy: 0.5694677515264323
Energy: 0.5903096855827287
Energy: 0.5737206268469206
Energy: 0.5700278558752465
Energy: 0.7461844289204339
Energy: 0.6112118546440555
Energy: 0.5894952626668105
Energy: 0.5624578459854075
Energy: 0.6041104683496872
Energy: 0.5779176584170476
Energy: 0.7143388306184494
Energy: 0.5756622795246639
Energy: 0.567175999021908
Energy: 0.5932758654979041
Energy: 0.5735122031871153
Energy: 0.5670892563421488
Energy: 0.732885811855232
Energy: 0.5814706987242907
Energy: 0.5819731710843825
Energy: 0.5766927114059512
Energy: 0.580670331324894
Energy: 0.5835242641041889
Energy: 0.7362732779036711
Energy: 0.5730188583658652
Energy: 0.574858847663291
Energy: 0.5707051323842462
Energy: 0.5913102744363825
Energy: 0.5766507060624463
Energy: 0.6887054309602143
Energy: 0.5795359210018373
Energy: 0.569163097453549
Energy: 0.5791668845492195
Energy: 0.5657254056438819
Energy: 0.5728295353760509
Energy: 0.6343032207880358
Energy: 0.5769236508623181
Energy: 0.5761594472277843
Energy: 0.5740943148790442
Energy: 0.5613340155068145
Energy: 0.5738450679372357
Energy: 0.6287680265838329
Energy: 0.5692772765132614
Energy: 0.570891478661801
Energy: 0.5609438421228791
Energy: 0.5643360504257265
Energy: 0.569009335175304
Energy: 0.6298147311919594
Energy: 0.5295839102531161
Energy: 0.5296282566389067
Energy: 0.5562254370084398
Energy: 0.5300604043932395
Energy: 0.5299326141311118
Energy: 0.5752108132370052
Energy: 0.5294882275995213
Energy: 0.529583125838699
Energy: 0.5573502848356198
Energy: 0.5474666849952871
Energy: 0.5566625973304316
Energy: 0.5734972089167736
Energy: 0.5654525487298672
Energy: 0.5666577850339656
Energy: 0.568469990608384
Energy: 0.565105477964419
Energy: 0.5665794253113008
Energy: 0.5709039015333807
Energy: 0.5663127356894754
Energy: 0.5604749413644022
Energy: 0.56526715542311
Energy: 0.5672843266095762
Energy: 0.5529985593520663
Energy: 0.6189882864298293
Energy: 0.5710294635011962
Energy: 0.5727564316675179
Energy: 0.5693677103262123
Energy: 0.5767665237388331
Energy: 0.5734504024227154
Energy: 0.6226098722867665
Energy: 0.5917011570795953
Energy: 0.5892174670065903
Energy: 0.5855581873007161
Energy: 0.5900032268292948
Energy: 0.5860617281110618
Energy: 0.6186900109867889
Energy: 0.5945645349313916
Energy: 0.5974085159693168
Energy: 0.5711471704765508
Energy: 0.5878785035312183
Energy: 0.5954613538128694
Energy: 0.6831857473447801
Energy: 0.5857589544590619
Energy: 0.5876149654996278
Energy: 0.55485958736469
Energy: 0.5868976500589318
Energy: 0.5851050043839094
Energy: 0.684312078696996
Energy: 0.5919465192129628
Energy: 0.5593571450922964
Energy: 0.5606374463016359
Energy: 0.5718204091607291
Energy: 0.5702280051143301
Energy: 0.6955186920312227
Energy: 0.5750144337496716
Energy: 0.565227137242055
Energy: 0.5801240342023434
Energy: 0.5643630718782953
Energy: 0.5860420310606692
Energy: 0.7802952611419967
Energy: 0.553220108420975
Energy: 0.5363582786683757
Energy: 0.5369043125157087
Energy: 0.5592134081629349
Energy: 0.5469181050325462

minimum gb energy = 0.5294134969853793 eV
minimum distance =  2.51583409350077 Angstroms
sigma value = 51


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

Energy: 0.8946241389023081
Energy: 0.5979334350284045
Energy: 0.5981104701778591
Energy: 0.5744374685713011
Energy: 0.6003810431326154
Energy: 0.5760656471401655
Energy: 0.6803516376766122
Energy: 0.5491285924430855
Energy: 0.5487653997633875
Energy: 0.5182369678849005
Energy: 0.549279393995611
Energy: 0.5489852104266159
Energy: 0.6742249696438855
Energy: 0.5487994173309914
Energy: 0.5487338912115338
Energy: 0.5452749880680529
Energy: 0.5494458361917933
Energy: 0.5491490337206899
Energy: 0.7169058705678228
Energy: 0.5517185555908202
Energy: 0.5337653751445041
Energy: 0.5364397849040682
Energy: 0.6024810314620982
Energy: 0.5367590452094692
Energy: 0.6428288427133695
Energy: 0.5493841317809848
Energy: 0.5497587689971826
Energy: 0.5395154245900745
Energy: 0.5517565307105831
Energy: 0.5613495432431516
Energy: 0.6459103957619662
Energy: 0.5466126133313834
Energy: 0.550631912482237
Energy: 0.5397883932577293
Energy: 0.5455446471103976
Energy: 0.5535821380564951
Energy: 0.6500566800929365
Energy: 0.5553511021069998
Energy: 0.553705010998315
Energy: 0.5400288094553777
Energy: 0.5528997547010379
Energy: 0.562117924999475
Energy: 0.6218566332855899
Energy: 0.5235376107631765
Energy: 0.5238112155523985
Energy: 0.5826063655683013
Energy: 0.5404879542762142
Energy: 0.5236340178612124
Energy: 0.5518290351079278
Energy: 0.5622760539031453
Energy: 0.5617981801386196
Energy: 0.5517682515525398
Energy: 0.5492059486350601
Energy: 0.5490484610307399
Energy: 0.5503395891489988
Energy: 0.5496947053324257
Energy: 0.549324143103735
Energy: 0.5503822964296543
Energy: 0.5182063095769535
Energy: 0.5490100349034062
Energy: 0.5496625222881134
Energy: 0.550844419044383
Energy: 0.5507824076809846
Energy: 0.5515300206344109
Energy: 0.5326037077841904
Energy: 0.550987124900199
Energy: 0.5891289787755499
Energy: 0.5499849189982703
Energy: 0.5493847512420762
Energy: 0.5547940280179312
Energy: 0.5527020400508714
Energy: 0.5499511376835808
Energy: 0.5815347361179484
Energy: 0.5492014598713912
Energy: 0.5749858177243936
Energy: 0.5657007751440339
Energy: 0.5660601282026166
Energy: 0.554409538331541
Energy: 0.583436187988266
Energy: 0.5368437602531542
Energy: 0.5369739337252204
Energy: 0.5501849613169638
Energy: 0.537095437481914
Energy: 0.5552178855005826
Energy: 0.6833681146950463
Energy: 0.5562867807980149
Energy: 0.5751450684251512
Energy: 0.5719164333973884
Energy: 0.5553598448654571
Energy: 0.5488214853272646
Energy: 0.6793507583349208
Energy: 0.5544401885106152
Energy: 0.5543945781580224
Energy: 0.546803228638199
Energy: 0.5537922522296902
Energy: 0.5472081601844785
Energy: 0.6783600315753074
Energy: 0.5540595360240652
Energy: 0.5536061605335602
Energy: 0.5648814388302527
Energy: 0.5670427627199466
Energy: 0.5538364398774768
Energy: 0.7523988812696085
Energy: 0.5490796106339504
Energy: 0.5398389430407663
Energy: 0.5475070540759629
Energy: 0.5492936940311076
Energy: 0.5391964185401122

minimum gb energy = 0.5182063095769535 eV
minimum distance =  2.64436523075691 Angstroms
sigma value = 19


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

Energy: 0.7494280093908023
Energy: 0.5216600852828426
Energy: 0.5218805829848527
Energy: 0.620288624183479
Energy: 0.5110074918803332
Energy: 0.6224828331361998
Energy: 0.736319475263186
Energy: 0.5111108683899184
Energy: 0.512210030227993
Energy: 0.5044651139790379
Energy: 0.5114883347165894
Energy: 0.5117165601405831
Energy: 0.5922201921366307
Energy: 0.5118952166692443
Energy: 0.5121830488150481
Energy: 0.5254315667086898
Energy: 0.5115770792717892
Energy: 0.5117539365932565
Energy: 0.627124785544331
Energy: 0.5114518576882161
Energy: 0.5121171412183798
Energy: 0.5239935422360213
Energy: 0.5532076295747389
Energy: 0.5124705015996571
Energy: 0.5527842561956355
Energy: 0.5113362790560496
Energy: 0.5115161853017041
Energy: 0.5047655753409244
Energy: 0.5115912885435854
Energy: 0.5113626831171058
Energy: 0.5926436847360195
Energy: 0.5011190434801837
Energy: 0.5257060370343222
Energy: 0.5252714116715009
Energy: 0.5010202275178247
Energy: 0.5249078208268517
Energy: 0.5920099835018644
Energy: 0.5257585813736351
Energy: 0.5253549127387017
Energy: 0.5115915613225889
Energy: 0.5046913006460353
Energy: 0.5115377843086895
Energy: 0.5522310456323616
Energy: 0.464994190039323
Energy: 0.5012153772917687
Energy: 0.552506991984981
Energy: 0.46507236619574044
Energy: 0.5013703208303905
Energy: 0.5112368109539638
Energy: 0.5198534461895578
Energy: 0.5216044399882122
Energy: 0.5109279054358075
Energy: 0.500896938989246
Energy: 0.5197532634649488
Energy: 0.5126503129263353
Energy: 0.5262832630881527
Energy: 0.5114683891536631
Energy: 0.5116004046663597
Energy: 0.5041621064450437
Energy: 0.511426783761888
Energy: 0.510541267573925
Energy: 0.5668143007515742
Energy: 0.5675406520990668
Energy: 0.5106181934718903
Energy: 0.5680387363230625
Energy: 0.5122500341017147
Energy: 0.6284449033624139
Energy: 0.5247507552716585
Energy: 0.5260919274859999
Energy: 0.5117394704587257
Energy: 0.5256048403606444
Energy: 0.5111637422702159
Energy: 0.5006012078761928
Energy: 0.5110771770891115
Energy: 0.5260820059041934
Energy: 0.5022407768895627
Energy: 0.512004320619829
Energy: 0.5250709651302369
Energy: 0.6291088632764431
Energy: 0.5254754788080316
Energy: 0.5264137684984342
Energy: 0.5119348475660982
Energy: 0.5701480240542586
Energy: 0.525446221527672
Energy: 0.7417676916137137
Energy: 0.5123556566412123
Energy: 0.5117813132516088
Energy: 0.5007581087155775
Energy: 0.511465353527739
Energy: 0.5212470013159278
Energy: 0.7523508983613473
Energy: 0.5113175302983678
Energy: 0.5015674583009224
Energy: 0.4846964682138889
Energy: 0.5108080177040879
Energy: 0.5016832312799857
Energy: 0.6284440888572509
Energy: 0.511094265464756
Energy: 0.5118884472770288
Energy: 0.5049512615968036
Energy: 0.5118753244016455
Energy: 0.5114814821778945
Energy: 0.6292608592344008
Energy: 0.5115803291166433
Energy: 0.511933617972722
Energy: 0.5074986349150435
Energy: 0.511038156189526
Energy: 0.5122029518510156
Energy: 0.6310124714756618
Energy: 0.511790833276257
Energy: 0.5254130800209763
Energy: 0.5072278082066831
Energy: 0.5113625694894973
Energy: 0.5248729509944912
Energy: 0.6290638504372845
Energy: 0.5008438036972636
Energy: 0.5115849050226939
Energy: 0.5118238915413122
Energy: 0.5009373193484018
Energy: 0.5251466342281002
Energy: 0.6274976561153961
Energy: 0.5114275503872566
Energy: 0.511662398756634
Energy: 0.5687016346314203
Energy: 0.5115599035305316
Energy: 0.52533960424107
Energy: 0.6311750005390605
Energy: 0.5250436673261616
Energy: 0.5265897567278288
Energy: 0.5116083094958476
Energy: 0.525827459394072
Energy: 0.5110817398029236
Energy: 0.5542394173526848
Energy: 0.5014545560354603
Energy: 0.5007914093774393
Energy: 0.5544637934645403
Energy: 0.5019336034068018
Energy: 0.5227978042410889
Energy: 0.5112926611579601
Energy: 0.5267234919318591
Energy: 0.511713554011438
Energy: 0.5113825211238833
Energy: 0.5006683143391385
Energy: 0.5113302565495933
Energy: 0.5113955522048063
Energy: 0.5249777444522016
Energy: 0.5255585424845595
Energy: 0.5115130725140633
Energy: 0.5254826475743201
Energy: 0.5115419855340193
Energy: 0.5535922330094976
Energy: 0.5246303218101024
Energy: 0.5248424705264456
Energy: 0.5539607478641696
Energy: 0.5689907518468064
Energy: 0.5120771959094457
Energy: 0.5918335553849012
Energy: 0.5260569806601308
Energy: 0.5708911230581071
Energy: 0.5115016179576383
Energy: 0.504354320050662
Energy: 0.5114443878830434
Energy: 0.5006956800147155
Energy: 0.5093322476443967
Energy: 0.5255548301782295
Energy: 0.5007945026262276
Energy: 0.5251045305526485
Energy: 0.5249946111681558
Energy: 0.5517885298423615
Energy: 0.5111418118402636
Energy: 0.5260915010771379
Energy: 0.5119333716013159
Energy: 0.51153944277671
Energy: 0.525309184902398
Energy: 0.6793410813495107
Energy: 0.5113034012063294
Energy: 0.5011703566320637
Energy: 0.46515348545325497
Energy: 0.5525443358431658
Energy: 0.5011212605490765

minimum gb energy = 0.464994190039323 eV
minimum distance =  2.70159762364323 Angstroms
sigma value = 27


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

Energy: 0.6405031291132279
Energy: 0.5915071778998332
Energy: 0.5920998654974534
Energy: 0.5742512747461106
Energy: 0.6823733074401754
Energy: 0.5919627285372353
Energy: 0.5415612099657489
Energy: 0.5285323064854761
Energy: 0.5286447566911012
Energy: 0.5366159983958633
Energy: 0.5297906053108901
Energy: 0.5291788868547378
Energy: 0.5724381401950599
Energy: 0.5318461945938117
Energy: 0.5278374621710046
Energy: 0.5084223321725001
Energy: 0.5306320456267477
Energy: 0.5289707647749048
Energy: 0.5755393599261192
Energy: 0.5568465114317057
Energy: 0.5302625250493748
Energy: 0.5113740697245324
Energy: 0.6288255170209763
Energy: 0.5069301265127103
Energy: 0.60710236563117
Energy: 0.5556635629440212
Energy: 0.5069806089013612
Energy: 0.5509104803709646
Energy: 0.5539154944015415
Energy: 0.49083598839040815
Energy: 0.5405672625572913
Energy: 0.5575536708487915
Energy: 0.5557870914286726
Energy: 0.5382519313009406
Energy: 0.55202974856807
Energy: 0.4793921988728272
Energy: 0.52846121946918
Energy: 0.5134889525669222
Energy: 0.5116431057616584
Energy: 0.5297493598885787
Energy: 0.52411657053279
Energy: 0.5297097222520807
Energy: 0.5325613860466135
Energy: 0.5599837412119915
Energy: 0.5039932982436907
Energy: 0.5298205324776517
Energy: 0.5034070055634907
Energy: 0.52732086125526
Energy: 0.5739279472191922
Energy: 0.5697974916580315
Energy: 0.5181145737585703
Energy: 0.5295991910786835
Energy: 0.5045706370713919
Energy: 0.5107957556246452
Energy: 0.5047822255161415
Energy: 0.5122318756673205
Energy: 0.5193211524015201
Energy: 0.5349498331094881
Energy: 0.5306196045269436
Energy: 0.49658811706869876
Energy: 0.5729608200620324
Energy: 0.5413182134215492
Energy: 0.5426151117844445
Energy: 0.5311826923919432
Energy: 0.5405589271959735
Energy: 0.542183325726366
Energy: 0.5415612104251429
Energy: 0.5300259888260738
Energy: 0.5300915319400525
Energy: 0.5228196225298362
Energy: 0.5299046691680324
Energy: 0.5308098085000553

minimum gb energy = 0.4793921988728272 eV
minimum distance =  2.62950435589463 Angstroms
sigma value = 9


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

Energy: 0.9508070425953346
Energy: 0.7505470563097002
Energy: 0.5334102946930096
Energy: 0.6870885908948136
Energy: 1.0057119536959402
Energy: 0.7417340861436929
Energy: 0.45961369853242506
Energy: 0.5046909687038189
Energy: 0.49340516336308815
Energy: 0.5301384913489331
Energy: 0.5029195886205358
Energy: 0.49029573802156473
Energy: 0.4975744233989543
Energy: 0.4783475118877334
Energy: 0.47855904901429197
Energy: 0.46461874782472473
Energy: 0.4800238461243122
Energy: 0.47850417755388014
Energy: 0.5007345605937709
Energy: 0.49095265814324357
Energy: 0.4927055711089539
Energy: 0.4645525299996936
Energy: 0.5325649633410567
Energy: 0.49547055464159584
Energy: 0.5523062442578509
Energy: 0.5868165594678232
Energy: 0.568318650292277
Energy: 0.5545123216524338
Energy: 0.5073902882992971
Energy: 0.5282109915601405
Energy: 0.5132131060561583
Energy: 0.5775991509971998
Energy: 0.5223375456559866
Energy: 0.5190569781257743
Energy: 0.5812375342307874
Energy: 0.5124939386552337
Energy: 0.514349952687382
Energy: 0.5055033512466152
Energy: 0.5215383648203149
Energy: 0.5149839120895683
Energy: 0.49229229951048986
Energy: 0.5243685253786383
Energy: 0.49916883448642196
Energy: 0.5371297041362
Energy: 0.5006846415062326
Energy: 0.4992120440591053
Energy: 0.5385749236260473
Energy: 0.49920816080411307
Energy: 0.5280012694800085
Energy: 0.5474339109609242
Energy: 0.5399064690191545
Energy: 0.5399314174553389
Energy: 0.5097078458909301
Energy: 0.48422864422213485
Energy: 0.46243119687542306
Energy: 0.5110096861541605
Energy: 0.5011490398721102
Energy: 0.42769558722344214
Energy: 0.5286085827267709
Energy: 0.4761183446640935
Energy: 0.46730393037958057
Energy: 0.49885814875552903
Energy: 0.49881199218697114
Energy: 0.42736503289025424
Energy: 0.4992856295265638
Energy: 0.4985813887380357
Energy: 0.5232672562417406
Energy: 0.5152534058176392
Energy: 0.516771649262291
Energy: 0.5087000910845766
Energy: 0.511798532300545
Energy: 0.5132470435933463
Energy: 0.8410159056617997
Energy: 0.5001653703010109
Energy: 0.6112091963647402
Energy: 0.6433373409935766
Energy: 0.49739624937995935
Energy: 0.6724074853619695
Energy: 0.5271959489746897
Energy: 0.5005899975070781
Energy: 0.48006931396433505
Energy: 0.5182501387031302
Energy: 0.5005890595002788
Energy: 0.5044571070594895
Energy: 0.5171211204294961
Energy: 0.5010804480009936
Energy: 0.4999259266958934
Energy: 0.47994767934868615
Energy: 0.5006045984088552
Energy: 0.5564155779185614
Energy: 0.4786912914954543
Energy: 0.510149060698883
Energy: 0.4812672000869177
Energy: 0.47925625985841036
Energy: 0.49436773120587996
Energy: 0.4787470008303505
Energy: 0.5380843197200197
Energy: 0.5783068957073035
Energy: 0.5019748333868992
Energy: 0.5261089910187818
Energy: 0.5163680811089826
Energy: 0.490106617825095
Energy: 0.544862216806263
Energy: 0.5005035901651776
Energy: 0.5305773573661922
Energy: 0.5470179175192734
Energy: 0.5001351331379155
Energy: 0.5286900196901309
Energy: 0.49790210788228945
Energy: 0.49575517582583223
Energy: 0.45902629276292584
Energy: 0.4808355782657859
Energy: 0.4928456537222077
Energy: 0.47965127319439227
Energy: 0.49999509954531624
Energy: 0.4798521354049889
Energy: 0.4791467017945792
Energy: 0.47938176677894184
Energy: 0.4800251903905012
Energy: 0.4788527959013896
Energy: 0.49751036764632706
Energy: 0.48070039997620684
Energy: 0.4807998106545802
Energy: 0.47954225728873034
Energy: 0.4807755764416764
Energy: 0.4844016203600446
Energy: 0.49465580315778035
Energy: 0.5270159592480144
Energy: 0.5210160648534744
Energy: 0.5306079107098164
Energy: 0.5727741430291704
Energy: 0.5117772796959493
Energy: 0.5969511393601161
Energy: 0.5242417078018082
Energy: 0.4964955304177423
Energy: 0.592661545528796
Energy: 0.5324173673530288
Energy: 0.5182771669413697
Energy: 0.4983954844049128
Energy: 0.47832164630688373
Energy: 0.4784196361782001
Energy: 0.5009288614751558
Energy: 0.4809209623668561
Energy: 0.4785988077075243
Energy: 0.6313583090532551
Energy: 0.47923094589211185
Energy: 0.47821752099910725
Energy: 0.5546195522237335
Energy: 0.47870680982086256
Energy: 0.5552670120902602
Energy: 0.5450012148252446
Energy: 0.4813977623227087
Energy: 0.4776396217371974
Energy: 0.5008032683368976
Energy: 0.5192484008330406
Energy: 0.5031201054532313
Energy: 0.7907936280930408
Energy: 0.6059168345538959
Energy: 0.6029888477030252
Energy: 0.7933184312951852
Energy: 0.6017749773370877
Energy: 0.5127923806512801
Energy: 0.5137670416976069
Energy: 0.5383998129764738
Energy: 0.5170083708944431
Energy: 0.5106542317867503
Energy: 0.49149169772535817
Energy: 0.5303880087484895
Energy: 0.499631226197537
Energy: 0.5167023608204144
Energy: 0.49127970108002356
Energy: 0.5002358699563522
Energy: 0.5185624383612835
Energy: 0.49945628372167883
Energy: 0.5290841372301647
Energy: 0.5366853819068517
Energy: 0.5022205112389623
Energy: 0.528619337196717
Energy: 0.5387268995974809
Energy: 0.5012754084891375
Energy: 0.4591841952394543
Energy: 0.48571075174816525
Energy: 0.4863050655544229
Energy: 0.5025008023575156
Energy: 0.49484309764815365
Energy: 0.5316667925759403
Energy: 0.7279259225167207
Energy: 0.4988323384181518
Energy: 0.4988106549530088
Energy: 0.48012478355834276
Energy: 0.49874804842516296
Energy: 0.476255684572351
Energy: 0.5712417985535784
Energy: 0.5131866880911379
Energy: 0.515409407913102
Energy: 0.4914085520309749
Energy: 0.5105879747524221
Energy: 0.5120282499692028
Energy: 0.4804434226314502
Energy: 0.5137802284724395
Energy: 0.5101026141091584
Energy: 0.48598544313507486
Energy: 0.5119925604088152
Energy: 0.5007346895860916
Energy: 0.5330114183957078
Energy: 0.5289408837094492
Energy: 0.503578171857544
Energy: 0.5166632180143786
Energy: 0.5044122749308301
Energy: 0.587874318478827
Energy: 0.5329326356884199
Energy: 0.4959108307778675
Energy: 0.4930349511584345
Energy: 0.5330221901929892
Energy: 0.4964864355684406
Energy: 0.49386305364424543
Energy: 0.47891211870629735
Energy: 0.4775510664939128
Energy: 0.4681713420677
Energy: 0.47957605921772584
Energy: 0.4650168193508813
Energy: 0.4786486007148959
Energy: 0.49958932736388656
Energy: 0.5127958271873498
Energy: 0.4941751794756543
Energy: 0.5030064981071501
Energy: 0.5044531682392907
Energy: 0.48973372645009
Energy: 0.4888426761301736
Energy: 0.6731979319784971
Energy: 0.671592647171101
Energy: 0.4903637994265746
Energy: 0.6466504571644123
Energy: 0.5465571732929254
Energy: 0.5488273269041429
Energy: 0.4790833641501101
Energy: 0.4776742536101434
Energy: 0.48896443893233305
Energy: 0.5093110706498977
Energy: 0.4864843586528815
Energy: 0.4982051065368417
Energy: 0.47938527731108
Energy: 0.4958584546222971
Energy: 0.48145410568092606
Energy: 0.479144013061781
Energy: 0.47932542967002933
Energy: 0.4976942948230292
Energy: 0.4803977680597759
Energy: 0.4796917871470787
Energy: 0.4806642871752503
Energy: 0.4799559372610688
Energy: 0.4844375427558645
Energy: 0.597222063364545
Energy: 0.5228637430323805
Energy: 0.49506435449124414
Energy: 0.5928759873399467
Energy: 0.5385930491667121
Energy: 0.5689933505403225

minimum gb energy = 0.42736503289025424 eV
minimum distance =  2.58992440684379 Angstroms
sigma value = 57


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

Energy: 0.32172903171315287
Energy: 0.3153073645305546
Energy: 0.28346249343460345
Energy: 0.27780847243769946
Energy: 0.4151721317732822
Energy: 0.32216703642217803
Energy: 0.3220053471458533
Energy: 0.37622557591518563
Energy: 0.3805191850343271
Energy: 0.3687672295322495
Energy: 0.36963783082227963
Energy: 0.3724489116923523
Energy: 0.3944067236519614
Energy: 0.3749954311479677
Energy: 0.3759074767650567
Energy: 0.38769092864217963
Energy: 0.3760411590044018
Energy: 0.3751384360604101
Energy: 0.4058828056905057
Energy: 0.3788940086219971
Energy: 0.3877760429766585
Energy: 0.3888889383107571
Energy: 0.3878704174366974
Energy: 0.37893538079866107
Energy: 0.39748007092572535
Energy: 0.2766471592790922
Energy: 0.2944576303197184
Energy: 0.41315458294373686
Energy: 0.27650429576248187
Energy: 0.389185149140195
Energy: 0.3742557604981252
Energy: 0.27652433346082805
Energy: 0.27676675468529527
Energy: 0.36252191408894363
Energy: 0.27639037795895455
Energy: 0.29149608007256966
Energy: 0.3743727554677872
Energy: 0.36985587023350425
Energy: 0.3689271046844202
Energy: 0.3841305825302809
Energy: 0.38298925538267137
Energy: 0.38700499593731963
Energy: 0.3741260844375988
Energy: 0.39819842555748974
Energy: 0.3779541467212209
Energy: 0.37361512286801896
Energy: 0.39774820549933476
Energy: 0.377608234289047
Energy: 0.39801111392872296
Energy: 0.38530148039598483
Energy: 0.38116178672791345
Energy: 0.37976851924146077
Energy: 0.3843593184128183
Energy: 0.3811497494559024
Energy: 0.28083213922956224
Energy: 0.39973287238891525
Energy: 0.29216187878113403
Energy: 0.27638733304026236
Energy: 0.4003185869442953
Energy: 0.27704746274507064
Energy: 0.2763746141400952
Energy: 0.38229574226866003
Energy: 0.3812671147537752
Energy: 0.2764089846091715
Energy: 0.38265554795475176
Energy: 0.2940615791155424
Energy: 0.3998767725944813
Energy: 0.38431452290856577
Energy: 0.3834896293030187
Energy: 0.380684266583035
Energy: 0.37601834478271434
Energy: 0.3841662718362215
Energy: 0.39751837063728956
Energy: 0.39824706659386067
Energy: 0.39722102045586877
Energy: 0.39707769773602886
Energy: 0.39915209910801946
Energy: 0.39863739461909276
Energy: 0.3987741488089963
Energy: 0.38393859193637797
Energy: 0.3824815031442336
Energy: 0.4076400287934051
Energy: 0.3831402505094473
Energy: 0.37380399801625663
Energy: 0.38483633478740764
Energy: 0.27657886010196714
Energy: 0.2765063668438074
Energy: 0.3667079987675365
Energy: 0.27950150206852126
Energy: 0.27722553450311715
Energy: 0.37532105389738174
Energy: 0.3809998957193336
Energy: 0.38882592787034204
Energy: 0.3871809259460362
Energy: 0.27657099163239884
Energy: 0.37072976472004265
Energy: 0.3799286276188565
Energy: 0.3651561017501103
Energy: 0.3879199177124799
Energy: 0.3850020280846802
Energy: 0.38318292547822974
Energy: 0.38536283003491545
Energy: 0.39437521422787036
Energy: 0.3970870090388274
Energy: 0.4026322642387333
Energy: 0.41659407062883635
Energy: 0.38044033959838186
Energy: 0.37553956472738304
Energy: 0.321950839462542
Energy: 0.38068074773113864
Energy: 0.3809372749517947
Energy: 0.2765341628342497
Energy: 0.3989439577412889
Energy: 0.38977574675236343

minimum gb energy = 0.2763746141400952 eV
minimum distance =  2.68302759794833 Angstroms
sigma value = 11


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

Energy: 0.7752450866357651
Energy: 0.6226918173020848
Energy: 0.7322516764701882
Energy: 0.6473671079753011
Energy: 0.8969957948603356
Energy: 0.7310319666276852
Energy: 0.4652686320909392
Energy: 0.4408643802264915
Energy: 0.4511745788735676
Energy: 0.44052262016459887
Energy: 0.4480517119685611
Energy: 0.4568014923070409
Energy: 0.44657338901257326
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Energy: 0.445467485790541
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Energy: 0.45244536049385364
Energy: 0.4420887505567425
Energy: 0.4464436450348686
Energy: 0.45619811174555147
Energy: 0.46803434408434946
Energy: 0.44733102703853905
Energy: 0.44914357395407056
Energy: 0.4494698836213175
Energy: 0.44772566123807983
Energy: 0.4502175687023731
Energy: 0.4296241239916996
Energy: 0.4478708753307317
Energy: 0.47673164873166957
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Energy: 0.5436259926728358
Energy: 0.6321459274115968
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Energy: 0.5951710724974865
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Energy: 0.4587375465844488
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Energy: 0.4223158432121169
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Energy: 0.47739581981932044
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Energy: 0.475972947304479
Energy: 0.5893619788531624
Energy: 0.5988693877925769
Energy: 0.47600409182574893
Energy: 0.5937137235274769
Energy: 0.47591249126725893
Energy: 0.6296748276244383
Energy: 0.4795561889751056
Energy: 0.4422795498277884
Energy: 0.5082170511994695
Energy: 0.47780618860692486
Energy: 0.42738053651030417
Energy: 0.5954848159578261
Energy: 0.5698611824164934
Energy: 0.5495064120164604
Energy: 0.5339837596092212
Energy: 0.5998070178066836
Energy: 0.49373318407675076
Energy: 0.5258445088804311
Energy: 0.47034450065705774
Energy: 0.46987606276093263
Energy: 0.4698176739003335
Energy: 0.47517040374976577
Energy: 0.41993127857425816
Energy: 0.5159213605787537
Energy: 0.4687329615326586
Energy: 0.43704030539880934
Energy: 0.45014320018224063
Energy: 0.4781491575486286
Energy: 0.4624576171567531
Energy: 0.5305447458461469
Energy: 0.5525088342757161
Energy: 0.5277549042037115
Energy: 0.5005046711392974
Energy: 0.5144440538063215
Energy: 0.5798869496418448
Energy: 0.6296903856036178
Energy: 0.476399597510248
Energy: 0.4287527085182366
Energy: 0.4492891918567336
Energy: 0.48146201451172904
Energy: 0.43020514099049756
Energy: 0.4491193428589081
Energy: 0.6476879396518063
Energy: 0.5497871892302661
Energy: 0.4486309320653493
Energy: 0.6386281669735281
Energy: 0.4994998926830344
Energy: 0.45581636232333256
Energy: 0.43424393906026704
Energy: 0.4283913973154974
Energy: 0.4562215027134254
Energy: 0.4346846350173845
Energy: 0.4470521586967521
Energy: 0.44780014910080856
Energy: 0.4445149647664661
Energy: 0.4441437263227858
Energy: 0.4582978421629203
Energy: 0.44376327963850765
Energy: 0.4442964145834196
Energy: 0.4654057811996846
Energy: 0.44399181872857063
Energy: 0.44244041317285354
Energy: 0.4655394682832988
Energy: 0.4478945472582108
Energy: 0.46394131974242947
Energy: 0.6197242677494614
Energy: 0.45582583134199856
Energy: 0.4511644832337145
Energy: 0.4831920925497832
Energy: 0.44782388935448947
Energy: 0.4287774379799344

minimum gb energy = 0.41993127857425816 eV
minimum distance =  2.59526120116208 Angstroms
sigma value = 41


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

Energy: 0.7205439993987807
Energy: 0.5390170725618233
Energy: 0.5390722233665846
Energy: 0.530959224977518
Energy: 0.5452424769163607
Energy: 0.5466614122268839
Energy: 0.5114226124814304
Energy: 0.46979615067592195
Energy: 0.4575410279654209
Energy: 0.46672325380831475
Energy: 0.4802572809358866
Energy: 0.4556105039811903
Energy: 0.4816338152646825
Energy: 0.46994328633306226
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Energy: 0.4806728837323552
Energy: 0.46297725903756676
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Energy: 0.48131280947560756
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Energy: 0.453740104742976
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Energy: 0.4725700264996726
Energy: 0.44619168962493894
Energy: 0.5460019936428021
Energy: 0.49961360153678075
Energy: 0.499700587217471
Energy: 0.4918399493706717
Energy: 0.6202590974095744
Energy: 0.4998789463153739
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Energy: 0.45723938115495333
Energy: 0.4802909481204083
Energy: 0.4798919634333512
Energy: 0.45611612053401906
Energy: 0.5109539673140333
Energy: 0.48790244911784697
Energy: 0.4881266691597124
Energy: 0.5115057828945726
Energy: 0.48747203097978264
Energy: 0.44121345282050545
Energy: 0.5436191635404002
Energy: 0.47394997030250774
Energy: 0.4566692372134349
Energy: 0.461862305644772
Energy: 0.4741458519509963
Energy: 0.4466135873267158
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Energy: 0.4750063454677183
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Energy: 0.533362266576992
Energy: 0.4746987585490158
Energy: 0.45020214979687195
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Energy: 0.4802781555666217
Energy: 0.44988940732182453
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Energy: 0.49056581735657884
Energy: 0.44639389627870785
Energy: 0.6336532068468453
Energy: 0.43874303698656003
Energy: 0.4291750661562163
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Energy: 0.44870904867892814
Energy: 0.44751663230395666
Energy: 0.5220578450891676
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Energy: 0.4852446642335108
Energy: 0.5394397631911672
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Energy: 0.4803182289502072
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Energy: 0.7082187761680305
Energy: 0.6243016371172109
Energy: 0.45043690568574607
Energy: 0.5238941193856875
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Energy: 0.4854700123534124
Energy: 0.4477043654476536
Energy: 0.49632638806380147
Energy: 0.48132068968313446
Energy: 0.42922945869315515
Energy: 0.4815158743893644
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Energy: 0.471062318800053
Energy: 0.4699173118309849
Energy: 0.4689266916425533
Energy: 0.4536970452057326
Energy: 0.4826196759151117
Energy: 0.46423753543820856
Energy: 0.45377838505434825
Energy: 0.4807268019051654
Energy: 0.46895361913423317
Energy: 0.4711838487376868
Energy: 0.4815214194054342
Energy: 0.4561873031220102
Energy: 0.45675658177521605
Energy: 0.4815292773617805
Energy: 0.4746089220799385
Energy: 0.44716007270148306
Energy: 0.7628959548221008
Energy: 0.6154263200716069
Energy: 0.4982988496430151
Energy: 0.7610856175807378
Energy: 0.6152618914967536
Energy: 0.4990091651196464
Energy: 0.5451066964631721
Energy: 0.4572787922759883
Energy: 0.4567706492691363
Energy: 0.48126345240159646
Energy: 0.4768484024774439
Energy: 0.4552033591394925
Energy: 0.5188828444792509
Energy: 0.49845965631726735
Energy: 0.48913060595460506
Energy: 0.5112713484672948
Energy: 0.49905655779284225
Energy: 0.4411817347612821
Energy: 0.5432532192643832
Energy: 0.47437250888856963
Energy: 0.45453066568531925
Energy: 0.4702071105724871
Energy: 0.4737443865670206
Energy: 0.4453332120747996
Energy: 0.5444613231006067
Energy: 0.4795293855827143
Energy: 0.4497923465554382
Energy: 0.47985696749120454
Energy: 0.4749013872038408
Energy: 0.4509180205614269
Energy: 0.6123210207968404
Energy: 0.47482943281388235
Energy: 0.46614045856947256
Energy: 0.5334499260903629
Energy: 0.6309627230049047
Energy: 0.4458553627528049
Energy: 0.6118311206917493
Energy: 0.43858742570917436
Energy: 0.462284890111558
Energy: 0.4905801859700203
Energy: 0.4455533485794331
Energy: 0.4502912023887717
Energy: 0.59900572849622
Energy: 0.5254552639609659
Energy: 0.5569754670289545
Energy: 0.47930089158547373
Energy: 0.525052239814568
Energy: 0.5181060357868387
Energy: 0.4762475604337475
Energy: 0.45036099237133337
Energy: 0.44991564502660136
Energy: 0.47518791712358566
Energy: 0.46584156035852864
Energy: 0.45020273845788805
Energy: 0.5064298400751257
Energy: 0.47827266485828507
Energy: 0.5126512548915317
Energy: 0.5082727161434057
Energy: 0.4782806228293577
Energy: 0.4793837243466254
Energy: 0.48220731763488417
Energy: 0.4701863362569602
Energy: 0.44642118213190074
Energy: 0.48004608132552784
Energy: 0.4805804936480853
Energy: 0.45625487196452713
Energy: 0.7087964671552758
Energy: 0.4857686936033738
Energy: 0.4290990216265467
Energy: 0.4471662602127291
Energy: 0.4816317155683335
Energy: 0.4305933999874201

minimum gb energy = 0.4290990216265467 eV
minimum distance =  2.60664143253706 Angstroms
sigma value = 33


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

Energy: 0.5893182847395004
Energy: 0.6561676601713293
Energy: 0.6583378488078727
Energy: 0.5918517711258456
Energy: 0.9755638036471087
Energy: 0.6726236125876874
Energy: 0.6016565018160959
Energy: 0.46980055511047025
Energy: 0.47279427165688004
Energy: 0.46683595969009867
Energy: 0.5137588700077036
Energy: 0.4723712688728778
Energy: 0.5135839070992892
Energy: 0.47207873576727166
Energy: 0.4703443624215966
Energy: 0.5145488248011629
Energy: 0.47051404762227916
Energy: 0.47043975376917424
Energy: 0.5119078248314736
Energy: 0.47067234059737534
Energy: 0.46980816827273325
Energy: 0.5125115903090338
Energy: 0.47293503517599633
Energy: 0.4701395090899792
Energy: 0.5122721490862312
Energy: 0.46961262436831347
Energy: 0.46359961278805206
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Energy: 0.4864116979414447
Energy: 0.4640129983264579
Energy: 0.56408425692195
Energy: 0.5791874034919454
Energy: 0.5762002782410858
Energy: 0.5644009325661038
Energy: 0.6003161591903102
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Energy: 0.6023410916163116
Energy: 0.4803408914858363
Energy: 0.492944916149909
Energy: 0.5122321913641725
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Energy: 0.4651057285442066
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Energy: 0.4628293208112257
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Energy: 0.4776482950973545
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Energy: 0.7020100121177958
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Energy: 0.5983529417406473
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Energy: 0.4625570601548883
Energy: 0.4575954299658599
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Energy: 0.4663828905026674
Energy: 0.5129782623310457
Energy: 0.47194322508458797
Energy: 0.8253516559276722
Energy: 0.5845131738857611
Energy: 0.6396264365133784
Energy: 0.6658254183300709
Energy: 0.5911867479242208
Energy: 0.6398393881325999

minimum gb energy = 0.4571902638206684 eV
minimum distance =  2.6197560089912 Angstroms
sigma value = 67


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

Energy: 0.6506631466114219
Energy: 0.42284312136710805
Energy: 0.42442469967102203
Energy: 0.6527324169414584
Energy: 0.6965576438555674
Energy: 0.42114405375928865
Energy: 0.6638056500516074
Energy: 0.40272362190685257
Energy: 0.40149991567488824
Energy: 0.40059980777997395
Energy: 0.4011564647445222
Energy: 0.40135921419506304
Energy: 0.5303908380351186
Energy: 0.38501964274804323
Energy: 0.4010563245032838
Energy: 0.4014807021520566
Energy: 0.3850246796596964
Energy: 0.40085004052963774
Energy: 0.501642647973676
Energy: 0.4011457637709779
Energy: 0.40101288642287697
Energy: 0.5020985693859054
Energy: 0.40098534747228237
Energy: 0.4008870188992604
Energy: 0.5018333407893404
Energy: 0.4009160845809487
Energy: 0.4010523195246919
Energy: 0.5015001549821856
Energy: 0.4009527474360142
Energy: 0.4010088591800432
Energy: 0.5020237129426208
Energy: 0.39961027370342495
Energy: 0.40102297022333244
Energy: 0.5019831703636083
Energy: 0.533749654490106
Energy: 0.5023646467559758
Energy: 0.6667118478993024
Energy: 0.4033427266896841
Energy: 0.4021921515323733
Energy: 0.5146299918141499
Energy: 0.40112274005296583
Energy: 0.4022019346404705

minimum gb energy = 0.38501964274804323 eV
minimum distance =  2.72979963597615 Angstroms
sigma value = 3


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

Energy: 0.8143959188986889
Energy: 0.6588085800525707
Energy: 0.6019533084764286
Energy: 0.7946518451097739
Energy: 0.8370697415378535
Energy: 0.5788005673485004
Energy: 0.4645394489715347
Energy: 0.546617745244123
Energy: 0.4681929176090883
Energy: 0.5016343586806072
Energy: 0.5325005611168913
Energy: 0.47035562221596167
Energy: 0.4940292938258731
Energy: 0.46492567331737084
Energy: 0.4644757578492894
Energy: 0.4940746442369475
Energy: 0.46440424134266894
Energy: 0.485462312424744
Energy: 0.47145803225131605
Energy: 0.46815266122174365
Energy: 0.4680347001086911
Energy: 0.4719743917631675
Energy: 0.46442200494181757
Energy: 0.46745665527969327
Energy: 0.47427119085025216
Energy: 0.49272745670022633
Energy: 0.4678439914773204
Energy: 0.46721591484964375
Energy: 0.4930274946153306
Energy: 0.46767547852203806
Energy: 0.4693326233308471
Energy: 0.4928688803573306
Energy: 0.49628609028531045
Energy: 0.4693648504795321
Energy: 0.494542728528729
Energy: 0.496435611662854
Energy: 0.4677681234117701
Energy: 0.5092171408077378
Energy: 0.5080634586155545
Energy: 0.48078726762013946
Energy: 0.5525632279956852
Energy: 0.475872582367317
Energy: 0.7582689964183472
Energy: 0.5374218220156385
Energy: 0.5434577573956193
Energy: 0.744026738632184
Energy: 0.5372013370376731
Energy: 0.5451987775553399
Energy: 0.4688873904606835
Energy: 0.5107899386100776
Energy: 0.5062634911364112
Energy: 0.46954697638662013
Energy: 0.4749615047123579
Energy: 0.47573816579116524
Energy: 0.6228105318005747
Energy: 0.4877180735003681
Energy: 0.48750655450952585
Energy: 0.6233449146809253
Energy: 0.4874747589256688
Energy: 0.5618535063403461
Energy: 0.5623277669351354
Energy: 0.4870969115466725
Energy: 0.4867297424549285
Energy: 0.5624986041346359
Energy: 0.5529743792582529
Energy: 0.5006805546867067
Energy: 0.5555718165165787
Energy: 0.5800554589989573
Energy: 0.4698376422586956
Energy: 0.5055038933295958
Energy: 0.468598184595935
Energy: 0.4703134146380587
Energy: 0.6156009943178902
Energy: 0.4688697265173229
Energy: 0.46900304613435856
Energy: 0.4927607734170889
Energy: 0.4687113421661265
Energy: 0.4689476039553734
Energy: 0.5508104384302073
Energy: 0.4733590545815078
Energy: 0.468473104688336
Energy: 0.48879589511512894
Energy: 0.471372352116651
Energy: 0.46855614304588933
Energy: 0.6626669731154445
Energy: 0.4684183480526017
Energy: 0.4693632268041572
Energy: 0.647987223986853
Energy: 0.4684156233488288
Energy: 0.5702123353906935
Energy: 0.5505532679861528
Energy: 0.4936978316440801
Energy: 0.4952742691764049
Energy: 0.485537877002985
Energy: 0.5651008695327295
Energy: 0.49270098217625574
Energy: 0.7141736035224205
Energy: 0.5231579572388521
Energy: 0.5235141372964301
Energy: 0.6165738101015859
Energy: 0.5234064491201381
Energy: 0.6630222782247732
Energy: 0.5263023580673557
Energy: 0.49153597493135315
Energy: 0.49258224228222025
Energy: 0.505402806161278
Energy: 0.4878228901051757
Energy: 0.4923147473840557
Energy: 0.524051236582103
Energy: 0.5983580326167887
Energy: 0.4887204436280559
Energy: 0.5287615412835338
Energy: 0.5968282713499768
Energy: 0.4685501493781812
Energy: 0.7156013572411263
Energy: 0.5035507723728275
Energy: 0.5034417236845649
Energy: 0.46848969956229375
Energy: 0.50921530752664
Energy: 0.4874901835389042
Energy: 0.5332462277164716
Energy: 0.49528905248250976
Energy: 0.49750434419877365
Energy: 0.4645086215642075
Energy: 0.4954505141320021
Energy: 0.4919576797611384
Energy: 0.5669799677067346
Energy: 0.5441855125312088
Energy: 0.5847544264979688
Energy: 0.5614284736557561
Energy: 0.49345761877802335
Energy: 0.4649530425680069
Energy: 0.5262427475333769
Energy: 0.5381420448233367
Energy: 0.4648718605315984
Energy: 0.5270065877265037
Energy: 0.5508835669595334
Energy: 0.4619839908488776
Energy: 0.5210418127985033
Energy: 0.4699659527146791
Energy: 0.5061399366424517
Energy: 0.5210656028136472
Energy: 0.46788771257054845
Energy: 0.5212079251604536
Energy: 0.4677514414343871
Energy: 0.46177910905199643
Energy: 0.461825885883878
Energy: 0.4680086257085663
Energy: 0.5493578130928026
Energy: 0.4614651936802323
Energy: 0.7830726339722649
Energy: 0.6698167111864679
Energy: 0.6066080081325393
Energy: 0.46157086747600484
Energy: 0.5098073702386952
Energy: 0.540760134703167
Energy: 0.4701641623887884
Energy: 0.6254982691109741
Energy: 0.5500332389435272
Energy: 0.4618618458548425
Energy: 0.6279996906573493
Energy: 0.46132802044457866
Energy: 0.46138051545360914
Energy: 0.46191794289470706
Energy: 0.46174784691247994
Energy: 0.4614294341479229
Energy: 0.552537168719332
Energy: 0.46138981074674207
Energy: 0.4815374904801239
Energy: 0.46428644863999685
Energy: 0.4642499921061958
Energy: 0.4815672201915471
Energy: 0.4641511680416213
Energy: 0.48166351315474676
Energy: 0.48341897851294396
Energy: 0.4785019743219733
Energy: 0.4629965342597646
Energy: 0.48409045641542336
Energy: 0.538394053935972
Energy: 0.46483645700850124
Energy: 0.4837821119053034
Energy: 0.5494777288204555
Energy: 0.4635465093361377
Energy: 0.46213744340738616
Energy: 0.4922639641143366
Energy: 0.47864391777015397
Energy: 0.4880730295632261
Energy: 0.4967492736861936
Energy: 0.494288777259735
Energy: 0.4636617526201245
Energy: 0.5301728241109349
Energy: 0.49410925209821277
Energy: 0.7603455695570601
Energy: 0.5723508841742146
Energy: 0.5722261219123852
Energy: 0.47024121321224754
Energy: 0.5780210648724639
Energy: 0.5231554596362595
Energy: 0.4885022520702114
Energy: 0.5616375100171935
Energy: 0.534340199404062
Energy: 0.4642109609804959
Energy: 0.5121055466066138
Energy: 0.5323528620258826
Energy: 0.48308362448730297
Energy: 0.4873382939892172
Energy: 0.48703324621596034
Energy: 0.48311865097831347
Energy: 0.5537034249472906
Energy: 0.5007220625524571
Energy: 0.5971536371549266
Energy: 0.4877805203396294
Energy: 0.4878087659649806
Energy: 0.5878864958007345
Energy: 0.48782564062933165
Energy: 0.5597871462722663
Energy: 0.5499561901555997
Energy: 0.5303604506180963
Energy: 0.5255106913517033
Energy: 0.5284804155103545
Energy: 0.4734675486706769
Energy: 0.5241559220745028
Energy: 0.6242880749389099
Energy: 0.4690568004140104
Energy: 0.4691127322293634
Energy: 0.6055657695928895
Energy: 0.4688354514690965
Energy: 0.46978823862279095
Energy: 0.552689663395804
Energy: 0.4730838051078472
Energy: 0.46838283076444465
Energy: 0.4894827058197752
Energy: 0.4718506984203549
Energy: 0.4682226054672113
Energy: 0.6631616773410195
Energy: 0.46860497126029144
Energy: 0.469239465555476
Energy: 0.48692957882732607
Energy: 0.4685548181180645
Energy: 0.46926204076899675
Energy: 0.5514163899596769
Energy: 0.5934302122685335
Energy: 0.4691420928876239
Energy: 0.5034787723757255
Energy: 0.46853215309095264
Energy: 0.46919075950127914
Energy: 0.5941155927812898
Energy: 0.49222068876824876
Energy: 0.5312402554700827
Energy: 0.5942109235648949
Energy: 0.46470133190912694
Energy: 0.5250772206918753
Energy: 0.5758864065523961
Energy: 0.5230613924793255
Energy: 0.5231571283155203
Energy: 0.5761257692869733
Energy: 0.5230416986177777
Energy: 0.5593048540833132
Energy: 0.5114574550982015
Energy: 0.4723045396641133
Energy: 0.46947936959771996
Energy: 0.48799953048251776
Energy: 0.4723554309398826
Energy: 0.4698217651402994
Energy: 0.7121370727481157
Energy: 0.5070895798569764
Energy: 0.5047181080821111
Energy: 0.6980095345395299
Energy: 0.5071985294594235
Energy: 0.5060184110613837
Energy: 0.5114435870032852
Energy: 0.4721050171418081
Energy: 0.4697254217283868
Energy: 0.46884512921435084
Energy: 0.5125736859939833
Energy: 0.47048849773792645
Energy: 0.5665488931068335
Energy: 0.49687111718698235
Energy: 0.5032298068476889
Energy: 0.46927016587815923
Energy: 0.49610794466080926
Energy: 0.4981622807077825
Energy: 0.5163163341447103
Energy: 0.5503180942931905
Energy: 0.48590118224580026
Energy: 0.4691931837511471
Energy: 0.5050692059469244
Energy: 0.4689331033808255
Energy: 0.5099587195376738
Energy: 0.46915132332091125
Energy: 0.4684053318987955
Energy: 0.5105553954915595
Energy: 0.4692755719500703
Energy: 0.46820937804111357
Energy: 0.5949182239194549
Energy: 0.46955260333905285
Energy: 0.46866554850687403
Energy: 0.595701530606965
Energy: 0.46830686584719544
Energy: 0.46826855773072207
Energy: 0.46463771126663345
Energy: 0.576342366410107
Energy: 0.46818843879394867
Energy: 0.514299638284984
Energy: 0.49007254104697123
Energy: 0.4687289188016872

minimum gb energy = 0.46132802044457866 eV
minimum distance =  2.67832367840693 Angstroms
sigma value = 81


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

Energy: 0.8941863906316047
Energy: 0.598978400597413
Energy: 0.581115886487692
Energy: 0.7899842410086632
Energy: 0.5777734148463164
Energy: 0.6053398751722127
Energy: 0.4955234086377398
Energy: 0.5198367492530526
Energy: 0.5228395845665365
Energy: 0.5247573061417532
Energy: 0.5191267709434174
Energy: 0.5420367378596239
Energy: 0.5168843633209166
Energy: 0.49316013360383354
Energy: 0.49274079558476624
Energy: 0.48478014721560514
Energy: 0.4940272529645349
Energy: 0.5829107562061676
Energy: 0.5171543355028082
Energy: 0.4929945938165519
Energy: 0.5179327239993293
Energy: 0.5167947509645475
Energy: 0.49432224264363567
Energy: 0.4836550905591911
Energy: 0.5172532834038774
Energy: 0.5471840727815335
Energy: 0.533086754108038
Energy: 0.5163175784321545
Energy: 0.5396574293495268
Energy: 0.5313415919470947
Energy: 0.6403825494671619
Energy: 0.5298210644212045
Energy: 0.5310452351279684
Energy: 0.6424748894104307
Energy: 0.5112720401647912
Energy: 0.5297425140841244
Energy: 0.5483896941277706
Energy: 0.4978794169176687
Energy: 0.5103831352719186
Energy: 0.5337034877915325
Energy: 0.49754003138077113
Energy: 0.5118635570707266
Energy: 0.7420839040843812
Energy: 0.8102956371994472
Energy: 0.8005539397931528
Energy: 0.7463499644680273
Energy: 0.5685983185692703
Energy: 0.4993738066994678
Energy: 0.5502072300541291
Energy: 0.5008811384313913
Energy: 0.5119380933149907
Energy: 0.5285140742166492
Energy: 0.5089595039993317
Energy: 0.5135044548260027
Energy: 0.6097867965266568
Energy: 0.546135366122774
Energy: 0.5224695935983765
Energy: 0.5961280496150853
Energy: 0.5211385381508838
Energy: 0.5503835610110608
Energy: 0.5829159740467936
Energy: 0.49082960963480027
Energy: 0.5211135900074091
Energy: 0.5649061427487754
Energy: 0.5153338080498616
Energy: 0.5585338418667875
Energy: 0.5250849369247083
Energy: 0.5354331289353828
Energy: 0.5288905529496373
Energy: 0.4938498678667842
Energy: 0.558147144097437
Energy: 0.511771572952664
Energy: 0.6006441659043017
Energy: 0.5123162753223397
Energy: 0.5111837597966806
Energy: 0.49408620842195566
Energy: 0.5342334596184439
Energy: 0.4788069942007714
Energy: 0.5173573111845572
Energy: 0.5301361044946686
Energy: 0.5301865237719529
Energy: 0.5233807274746904
Energy: 0.5373477231578304
Energy: 0.530892974307979
Energy: 0.7223007652735272
Energy: 0.5304248092537323
Energy: 0.5694688878516345
Energy: 0.5188911674534853
Energy: 0.531331705877234
Energy: 0.5209985384645903
Energy: 0.5167540015240557
Energy: 0.5185030066043302
Energy: 0.5187132674118208
Energy: 0.5163895051911634
Energy: 0.6098957746848533
Energy: 0.5196152928995251
Energy: 0.5456369578842559
Energy: 0.4781240527275295
Energy: 0.5002291297611299
Energy: 0.7656228006182852
Energy: 0.47919583684046935
Energy: 0.49995262607827684
Energy: 0.5161199975781309
Energy: 0.5049728354502908
Energy: 0.5248103292613218
Energy: 0.516413770092245
Energy: 0.5047963854763856
Energy: 0.5008287573020157
Energy: 0.5140857655970846
Energy: 0.6172704736997561
Energy: 0.5043081601181585
Energy: 0.504313764404297
Energy: 0.6192050439516356
Energy: 0.5043056610998774
Energy: 0.5146168306622815
Energy: 0.5289701975417018
Energy: 0.5042926196910721
Energy: 0.5043740028026518
Energy: 0.5289041721718865
Energy: 0.5044329270974719
Energy: 0.5164572466326619
Energy: 0.5047034096276704
Energy: 0.5051692484894307
Energy: 0.5168122388822842
Energy: 0.5044864702206787
Energy: 0.5008794028052189
Energy: 0.5437065970401811
Energy: 0.4932164337375646
Energy: 0.5040670645317015
Energy: 0.5444127125336888
Energy: 0.49361383676471604
Energy: 0.5040740863433794
Energy: 0.5148732448048792
Energy: 0.5236788362611056
Energy: 0.5154196014330034
Energy: 0.5146885920788761
Energy: 0.5114363373753444
Energy: 0.5160162863788252
Energy: 0.5138217270807414
Energy: 0.5491309984663274
Energy: 0.5169396893204408
Energy: 0.5156066731503677
Energy: 0.5527581001915608
Energy: 0.5174471603115298
Energy: 0.6070205767237992
Energy: 0.5338472999733693
Energy: 0.533888848225504
Energy: 0.6116786793183283
Energy: 0.5388225146945969
Energy: 0.5349165182686237
Energy: 0.7428272528547509
Energy: 0.5132695310992259
Energy: 0.5257085280629572
Energy: 0.4788184528285242
Energy: 0.5371149407513925
Energy: 0.5250131444072507
Energy: 0.5275140885096277
Energy: 0.5494503862137334
Energy: 0.5427945199718329
Energy: 0.4788086469080395
Energy: 0.5576165641820001
Energy: 0.5117121760843671
Energy: 0.672618699544644
Energy: 0.4908603260506742
Energy: 0.5065850087114476
Energy: 0.6534338207263607
Energy: 0.5153519421426636
Energy: 0.5385524710949074
Energy: 0.5908262968894169
Energy: 0.5213057611692987
Energy: 0.5292309742186423
Energy: 0.5823499674627364
Energy: 0.5212892131270902
Energy: 0.5215390712389348
Energy: 0.581939870575422
Energy: 0.5006459382941171
Energy: 0.5117076025877358
Energy: 0.5528339243752218
Energy: 0.5341037777110319
Energy: 0.538414728523453
Energy: 0.6037842599071367
Energy: 0.5882632203121843
Energy: 0.5775224667887175
Energy: 0.6074407766606321
Energy: 0.5899565026838165
Energy: 0.5270230347030427
Energy: 0.5487972975602089
Energy: 0.4952100937526324
Energy: 0.4954283205785648
Energy: 0.5307026918355682
Energy: 0.49840092646821177
Energy: 0.4957548711794945
Energy: 0.6906232738759085
Energy: 0.5247835811054663
Energy: 0.5235087251667688
Energy: 0.5584795412800723
Energy: 0.49664745598474813
Energy: 0.5244675453741243
Energy: 0.521070948681928
Energy: 0.6337925966838592
Energy: 0.5384053635781162
Energy: 0.520979811349286
Energy: 0.6369491812879261
Energy: 0.5442022529745563
Energy: 0.5203828089118182
Energy: 0.4981131769718159
Energy: 0.5351207252027513
Energy: 0.5196752309893307
Energy: 0.4779845834410562
Energy: 0.5001994875337851
Energy: 0.5169958921840819
Energy: 0.4776717846430252
Energy: 0.477765902926634
Energy: 0.48410548187074376
Energy: 0.47934850984585914
Energy: 0.5826927385548526
Energy: 0.5186327879482481
Energy: 0.5269963556288421
Energy: 0.5233131254713569
Energy: 0.5250056163474446
Energy: 0.6157040566098768
Energy: 0.5419518148271564
Energy: 0.8946479084222437
Energy: 0.5993954720948558
Energy: 0.5868266980611194
Energy: 0.5618932727392104
Energy: 0.5977614934274842
Energy: 0.60292591687294

minimum gb energy = 0.4776717846430252 eV
minimum distance =  2.66484753649172 Angstroms
sigma value = 43


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

Energy: 0.8075818276474267
Energy: 0.6823426431285396
Energy: 0.6431781702896859
Energy: 0.7731283383518859
Energy: 0.7406711686413566
Energy: 0.520328587982005
Energy: 0.4775044911010731
Energy: 0.513806301758955
Energy: 0.5546178317729443
Energy: 0.5485160248759866
Energy: 0.5038822522090275
Energy: 0.501995386482203
Energy: 0.6345953522201617
Energy: 0.47763951866336324
Energy: 0.4764048246995962
Energy: 0.573067769853726
Energy: 0.47606054441879386
Energy: 0.5176801876279581
Energy: 0.49124235797265503
Energy: 0.47725884897907694
Energy: 0.49071061494923457
Energy: 0.49107188281945147
Energy: 0.4757682106560024
Energy: 0.49060892530676664
Energy: 0.49036361674742773
Energy: 0.5017658524462318
Energy: 0.5019932945479241
Energy: 0.4904718276457713
Energy: 0.5016157060915776
Energy: 0.5018139335407876
Energy: 0.4907819044880037
Energy: 0.5014089877544846
Energy: 0.5018023684773725
Energy: 0.5017454875898306
Energy: 0.4907686002692831
Energy: 0.5024616560527518
Energy: 0.5162278417379271
Energy: 0.49051593663251886
Energy: 0.49050938817870954
Energy: 0.516789288232569
Energy: 0.4915493170461269
Energy: 0.4903249532752931
Energy: 0.6875431356794124
Energy: 0.4910494793817413
Energy: 0.49112414679881566
Energy: 0.5210394432495049
Energy: 0.49085703219262417
Energy: 0.6014508024350307
Energy: 0.5169122447840825
Energy: 0.49065726603895204
Energy: 0.4904805472258298
Energy: 0.517268548813833
Energy: 0.5763349134096244
Energy: 0.4904748821385367
Energy: 0.558211057256009
Energy: 0.5578775991315897
Energy: 0.5604478847455769
Energy: 0.5866997602429495
Energy: 0.5591351494324818
Energy: 0.5815995372743279
Energy: 0.4752582287170119
Energy: 0.5292581437436008
Energy: 0.5207762716365161
Energy: 0.47532276959650244
Energy: 0.55026123818671
Energy: 0.5394915757167191
Energy: 0.5520204848015992
Energy: 0.5882110579066773
Energy: 0.51802271888914
Energy: 0.476676049447494
Energy: 0.6368247969258735
Energy: 0.4908124929368894
Energy: 0.7246174398679022
Energy: 0.4913573418379048
Energy: 0.5291198373334766
Energy: 0.47586398583630113
Energy: 0.5069211196471988
Energy: 0.5045092108242024
Energy: 0.47558086637757746
Energy: 0.5064501722512608
Energy: 0.5450838299637826
Energy: 0.4756213476392908
Energy: 0.5066559445879659
Energy: 0.5460779850521778
Energy: 0.4757407931850845
Energy: 0.5451456159801522
Energy: 0.4772371480900432
Energy: 0.47601165100372683
Energy: 0.5251674294711116
Energy: 0.4774763924761088
Energy: 0.4757959875612394
Energy: 0.4769236035238933
Energy: 0.4760697358846218
Energy: 0.47612915673101297
Energy: 0.5157348849053501
Energy: 0.47558792726980886
Energy: 0.476413965506482
Energy: 0.4763925427047793
Energy: 0.47662110687163467
Energy: 0.47655202686794973
Energy: 0.5443889254617247
Energy: 0.4763888792851268
Energy: 0.47626173068757643
Energy: 0.5213945951038494
Energy: 0.5215346348545253
Energy: 0.4761639291241647
Energy: 0.5311714581155006
Energy: 0.47539874397729975
Energy: 0.515876995734205
Energy: 0.5170850621246368
Energy: 0.5259807319907932
Energy: 0.5045116348151062
Energy: 0.5184468566724235
Energy: 0.49097657628698355
Energy: 0.5152321642292004
Energy: 0.6003793619165771
Energy: 0.5261657391757237
Energy: 0.49086277514722143
Energy: 0.6471028988384514
Energy: 0.490576678652418
Energy: 0.47612089913953953
Energy: 0.5371113575340654
Energy: 0.5293888913442826
Energy: 0.4760665167530316
Energy: 0.5397412324818586
Energy: 0.5226155547959588
Energy: 0.6308126364336739
Energy: 0.5037695685711977
Energy: 0.5559505824446409
Energy: 0.6306847791704231
Energy: 0.47596712259242735
Energy: 0.5573821239026657
Energy: 0.5495699971022608
Energy: 0.5224579337074783
Energy: 0.5212624516648594
Energy: 0.5309390900744306
Energy: 0.5170158745399451
Energy: 0.5227378807789957
Energy: 0.6427764711521956
Energy: 0.6078533471030648
Energy: 0.5634867440789324
Energy: 0.4757747865769793
Energy: 0.47628333158259933
Energy: 0.47593736583931445
Energy: 0.5496102211387496
Energy: 0.4760251090833477
Energy: 0.4756589560454387
Energy: 0.5496199298428033
Energy: 0.4765012065249583
Energy: 0.4765626001152194
Energy: 0.5199982440738738
Energy: 0.47600969312052493
Energy: 0.47578126388214975
Energy: 0.545305357984496
Energy: 0.47554615229843883
Energy: 0.47626978178568113
Energy: 0.5198303996823105
Energy: 0.5596591986237717
Energy: 0.5314628781809358
Energy: 0.49108075804543727
Energy: 0.4752828003292434
Energy: 0.5444068714205568
Energy: 0.5201146734394019
Energy: 0.5448404490484898
Energy: 0.4908909079780199
Energy: 0.5178626318218568
Energy: 0.514348307359266
Energy: 0.4910945548634328
Energy: 0.5964336116204219
Energy: 0.4914883616940198
Energy: 0.5173578926948659
Energy: 0.5967177391441537
Energy: 0.5209864896610805
Energy: 0.5360505998196042
Energy: 0.49105352465092456
Energy: 0.5137540253941469
Energy: 0.5453220335281218
Energy: 0.4912038682409457
Energy: 0.47544963625437786
Energy: 0.49026451063363663
Energy: 0.8082473962330194
Energy: 0.653629913863641
Energy: 0.6478390173760606
Energy: 0.5036576599491136
Energy: 0.6631592117148815
Energy: 0.6352670394433456

minimum gb energy = 0.4752582287170119 eV
minimum distance =  2.6239667065874 Angstroms
sigma value = 57


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

Energy: 0.6202481755812409
Energy: 0.5445563283144602
Energy: 0.5448700972416229
Energy: 0.6222239849884917
Energy: 0.8623348597373071
Energy: 0.5547005326373056
Energy: 0.4532405309323557
Energy: 0.4928235680036759
Energy: 0.49300479083021387
Energy: 0.49295083758951813
Energy: 0.4931231841755974
Energy: 0.49001713101135697
Energy: 0.6109496350590031
Energy: 0.4505261986685255
Energy: 0.45034194269118283
Energy: 0.6120354200874443
Energy: 0.5045507080056002
Energy: 0.4501433767541873
Energy: 0.490306410757523
Energy: 0.4504650350255338
Energy: 0.4504577143091253
Energy: 0.4897279297753252
Energy: 0.5053294791849021
Energy: 0.4894019682184223
Energy: 0.4891710518481962
Energy: 0.4660622785903178
Energy: 0.46672954805606165
Energy: 0.4892287426285317
Energy: 0.46658419679876806
Energy: 0.4668170006734057
Energy: 0.450413210582235
Energy: 0.46784562422562825
Energy: 0.4658558754168549
Energy: 0.4660153527686205
Energy: 0.49023233323757814
Energy: 0.46576289161266915
Energy: 0.4930127790031763
Energy: 0.49001766766594396
Energy: 0.48903942140341206
Energy: 0.493319802296061
Energy: 0.4911947920871251
Energy: 0.4892677139927535
Energy: 0.4891602235076821
Energy: 0.5646620752106841
Energy: 0.5640710690691149
Energy: 0.4889413382509604
Energy: 0.5657363190567691
Energy: 0.4898688886672602
Energy: 0.49275253621195575
Energy: 0.49074057838960683
Energy: 0.48957829580704065
Energy: 0.49331830187322195
Energy: 0.5579080066837979
Energy: 0.4905222750477029
Energy: 0.6873931794341437
Energy: 0.4896007605560557
Energy: 0.48913317398325157
Energy: 0.49308709963798736
Energy: 0.48950911995606594
Energy: 0.5491460979649497
Energy: 0.5578232097005732
Energy: 0.5438008724067122
Energy: 0.4896104130341126
Energy: 0.5572730053400342
Energy: 0.49320419511104835
Energy: 0.4896872399052333
Energy: 0.4504770189197714
Energy: 0.5567535729328871
Energy: 0.49301280562829963
Energy: 0.45134451250672764
Energy: 0.5571903906188683
Energy: 0.52805195310274
Energy: 0.45193471523355094
Energy: 0.4913060365062241
Energy: 0.5885233568952972
Energy: 0.528451494658629
Energy: 0.49289265813338906
Energy: 0.5283992099609944
Energy: 0.5571503582532535
Energy: 0.49333043652283576
Energy: 0.4929416540591432
Energy: 0.5577073799190095
Energy: 0.4936290516188895
Energy: 0.48970628617035394
Energy: 0.49586368018018023
Energy: 0.4775161906272489
Energy: 0.47724354651237266
Energy: 0.49580766840566354
Energy: 0.6244054983522852
Energy: 0.47711930543238446
Energy: 0.4891985510495711
Energy: 0.4667173530699692
Energy: 0.46751912589240247
Energy: 0.48992351655343946
Energy: 0.4936596750972397
Energy: 0.48911390754503814
Energy: 0.4901867900975524
Energy: 0.46567648367162345
Energy: 0.4657905152109118
Energy: 0.4896371781282529
Energy: 0.4658941361926462
Energy: 0.46600442805327413
Energy: 0.4897837888983767
Energy: 0.4898715158365795
Energy: 0.4675627295183264
Energy: 0.46713898012679905
Energy: 0.4893276797183129
Energy: 0.4682112846986627
Energy: 0.49273607980262457
Energy: 0.4894823951590936
Energy: 0.48987249567395114
Energy: 0.521494535684494
Energy: 0.4894058926547599
Energy: 0.49010049597719835
Energy: 0.4928631306551961
Energy: 0.5502231083556868
Energy: 0.4896969081232258
Energy: 0.49343128863289293
Energy: 0.5564307938640817
Energy: 0.489905134161088
Energy: 0.49308171808178763
Energy: 0.49403829217114825
Energy: 0.4929176306373347
Energy: 0.49308949896403825
Energy: 0.4937216675734349
Energy: 0.4897890943838872
Energy: 0.6969511141329262
Energy: 0.5161851415806396
Energy: 0.5161793694867597
Energy: 0.7010261359992858
Energy: 0.5450574878659382
Energy: 0.5165216255121674
Energy: 0.5569696820054566
Energy: 0.4936328986246488
Energy: 0.49282321317856803
Energy: 0.5574117855460258
Energy: 0.4935963119057099
Energy: 0.4897478450049292
Energy: 0.6018873313780958
Energy: 0.5510608576284833
Energy: 0.5884935534317467
Energy: 0.5285005029818457
Energy: 0.5571689476696748
Energy: 0.528551866310934

minimum gb energy = 0.4501433767541873 eV
minimum distance =  2.64902874794041 Angstroms
sigma value = 17


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

Energy: 0.6621997708930859
Energy: 0.5668586885873091
Energy: 0.564624531394704
Energy: 0.4768041760786966
Energy: 0.6689597794640519
Energy: 0.47678392453352275
Energy: 0.4536744211149189
Energy: 0.49751322723611263
Energy: 0.49747406659417115
Energy: 0.5376578505478938
Energy: 0.4986456409470252
Energy: 0.49730413542166035
Energy: 0.5944154023444547
Energy: 0.454344843208416
Energy: 0.4543211261821038
Energy: 0.5952668295468019
Energy: 0.45461378995822155
Energy: 0.4545130067984019
Energy: 0.4993660185986228
Energy: 0.45425428983890337
Energy: 0.4546681512678881
Energy: 0.49732837644003325
Energy: 0.4547692087760447
Energy: 0.4970078998355192
Energy: 0.49764542855022603
Energy: 0.5005676037192515
Energy: 0.5010542240051881
Energy: 0.49783661014765707
Energy: 0.5002710454546822
Energy: 0.5011794096053143
Energy: 0.5941460869589337
Energy: 0.4453082770581112
Energy: 0.4454318855844123
Energy: 0.43541549774350596
Energy: 0.4448484030096571
Energy: 0.4366282517348679
Energy: 0.49003491159676554
Energy: 0.4459075144585349
Energy: 0.4450123811086416
Energy: 0.4902066786835565
Energy: 0.4474413260081009
Energy: 0.49502871340047266
Energy: 0.4461208844544127
Energy: 0.5330486589005023
Energy: 0.5309070565538809
Energy: 0.5327841130985301
Energy: 0.5544595340749474
Energy: 0.5309284669486928
Energy: 0.44682749656197346
Energy: 0.5330233080822737
Energy: 0.535237182547662
Energy: 0.4475281869955813
Energy: 0.44673050893692107
Energy: 0.44555232543521417
Energy: 0.4448956910936371
Energy: 0.44540118000434503
Energy: 0.4451542770204773
Energy: 0.44496610752903687
Energy: 0.44558183816517644
Energy: 0.44569439035413405
Energy: 0.5661418590493766
Energy: 0.4721325860233999
Energy: 0.4997432236885206
Energy: 0.5575578364454759
Energy: 0.49796602732994716
Energy: 0.5012134662410626
Energy: 0.4965316306684236
Energy: 0.4977144610188356
Energy: 0.49683606539028397
Energy: 0.4970412736789994
Energy: 0.49796688704013425
Energy: 0.4972334134735053
Energy: 0.4984910549368634
Energy: 0.5392815993396178
Energy: 0.5393105180518265
Energy: 0.471469469555389
Energy: 0.5966829856452733
Energy: 0.49758397540811855
Energy: 0.5566780954846363
Energy: 0.4983384961494381
Energy: 0.4983135260588233
Energy: 0.5563616260371562
Energy: 0.4981659129057043
Energy: 0.4970556568302738
Energy: 0.5558187679225661
Energy: 0.4969345764261575
Energy: 0.49657990298507143
Energy: 0.6512772023923206
Energy: 0.4970870576633658
Energy: 0.5383454659078186
Energy: 0.596513930707011
Energy: 0.504799664910447
Energy: 0.4975974317307858
Energy: 0.5951545277330407
Energy: 0.5042119928152606
Energy: 0.49720484113404
Energy: 0.5435456523284619
Energy: 0.5405581817932669
Energy: 0.5392091104853406
Energy: 0.5146344210315277
Energy: 0.5964203800633688
Energy: 0.5391363619605287

minimum gb energy = 0.43541549774350596 eV
minimum distance =  2.61040542424548 Angstroms
sigma value = 17


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

Energy: 0.6825370356241994
Energy: 0.5448361010627046
Energy: 0.4695546787043792
Energy: 0.46607000111050706
Energy: 0.6660712638673291
Energy: 0.46598224653820436
Energy: 0.5401832269380019
Energy: 0.4885545789985072
Energy: 0.48740821340081414
Energy: 0.489363796494665
Energy: 0.4892075311019365
Energy: 0.4879038483004403
Energy: 0.5658249971525836
Energy: 0.4180724586042748
Energy: 0.44834066805030337
Energy: 0.5667426622787849
Energy: 0.4179285779085327
Energy: 0.4484066400862396
Energy: 0.48861327403812926
Energy: 0.44841409117165815
Energy: 0.4487923714063022
Energy: 0.48914747699718136
Energy: 0.4864139441235889
Energy: 0.4484316739612108
Energy: 0.49037574374743487
Energy: 0.4840846989569073
Energy: 0.48586485747807445
Energy: 0.4887722396063656
Energy: 0.5116066241317831
Energy: 0.4851392747174268
Energy: 0.6117306227895881
Energy: 0.4344196566906741
Energy: 0.41823511026948945
Energy: 0.41845039852709154
Energy: 0.43452458728720794
Energy: 0.417919542680034
Energy: 0.4896274255879578
Energy: 0.43439118039799507
Energy: 0.43438697818357963
Energy: 0.484303268112452
Energy: 0.4360958520873549
Energy: 0.4748970968345495
Energy: 0.5348880775723709
Energy: 0.49125734132106896
Energy: 0.4578780598569786
Energy: 0.5354810172482977
Energy: 0.49167128955767225
Energy: 0.45826360048131765
Energy: 0.41564527337000023
Energy: 0.49682761257688124
Energy: 0.4590642769347526
Energy: 0.4146673723308569
Energy: 0.4184425497948651
Energy: 0.41413182053650743
Energy: 0.41400405571414145
Energy: 0.4945059805984157
Energy: 0.49570917148444443
Energy: 0.4141119570361821
Energy: 0.49527200745022765
Energy: 0.49513383004142647
Energy: 0.551983622487802
Energy: 0.41414167939653185
Energy: 0.4947288151897518
Energy: 0.4957824095701541
Energy: 0.4142427361694729
Energy: 0.49439825625244477
Energy: 0.415609960077736
Energy: 0.4140132460753575
Energy: 0.4140835662539339
Energy: 0.4162590671466717
Energy: 0.41619607506167644
Energy: 0.4588133828207871
Energy: 0.4337534719282823
Energy: 0.46439351385433886
Energy: 0.45971406429546247
Energy: 0.4571990908081473
Energy: 0.5171216360778114
Energy: 0.45896860282883534
Energy: 0.4351189970448591
Energy: 0.5103441126091307
Energy: 0.5100658965314806
Energy: 0.4353422928200073
Energy: 0.48396912110847357
Energy: 0.43461192128112347
Energy: 0.4344714530812253
Energy: 0.5113232155180875
Energy: 0.4691129249952694
Energy: 0.43452229622560995
Energy: 0.45747288140341064
Energy: 0.4344225685634933
Energy: 0.5389497590179729
Energy: 0.48806090045218764
Energy: 0.48508633654197275
Energy: 0.5304960442693217
Energy: 0.48820999015037403
Energy: 0.4854177681191012
Energy: 0.41420843549447117
Energy: 0.48748411786310625
Energy: 0.4874822503372067
Energy: 0.4349456086997257
Energy: 0.48748105030022776
Energy: 0.4336193685576504
Energy: 0.444424556282188
Energy: 0.5190186921491945
Energy: 0.4872186063768946
Energy: 0.44175377138705213
Energy: 0.5655630750211893
Energy: 0.43447057794123944
Energy: 0.534602099418668
Energy: 0.48735416305551166
Energy: 0.4842146814324572
Energy: 0.5352901609866176
Energy: 0.46536218261557116
Energy: 0.4869835199087266
Energy: 0.6387389615797118
Energy: 0.5093701929888702
Energy: 0.47849608719569464
Energy: 0.6382844034685531
Energy: 0.43465038829966285
Energy: 0.4907345401412991
Energy: 0.5685252747446736
Energy: 0.4882144613882915
Energy: 0.48732488144847325
Energy: 0.5696368186337489
Energy: 0.4886131076739178
Energy: 0.4870545913094481
Energy: 0.4825863944198285
Energy: 0.5229450736677134
Energy: 0.5561443579360769
Energy: 0.4485985090942534
Energy: 0.5667669255920805
Energy: 0.44839938539865376
Energy: 0.4795032726562241
Energy: 0.48757495988330307
Energy: 0.48757943473005233
Energy: 0.4796991742365175
Energy: 0.534954532954669
Energy: 0.5237219866404638
Energy: 0.5656670727868377
Energy: 0.4493996858185988
Energy: 0.4878104804886453
Energy: 0.5664812639960327
Energy: 0.47877090439843445
Energy: 0.48733784213824366
Energy: 0.48748833409522535
Energy: 0.4177647880456563
Energy: 0.4484875595515489
Energy: 0.4873923502906837
Energy: 0.41782750683443887
Energy: 0.4485371865180654
Energy: 0.489230062460597
Energy: 0.4863107966701862
Energy: 0.48612416085172017
Energy: 0.48999004749984326
Energy: 0.48548015818821855
Energy: 0.48836193133797706
Energy: 0.4485715430399829
Energy: 0.530550108035934
Energy: 0.43530438801793736
Energy: 0.41833337114385183
Energy: 0.53817293636795
Energy: 0.417901045847123
Energy: 0.4366125675485572
Energy: 0.4359375603581885
Energy: 0.43434940956863344
Energy: 0.43673785935876475
Energy: 0.4359854740470193
Energy: 0.4343773974700544
Energy: 0.5359856806907061
Energy: 0.506317869982717
Energy: 0.5081991517191998
Energy: 0.5173501266872156
Energy: 0.4344864014079323
Energy: 0.507398490268698
Energy: 0.4141081431909335
Energy: 0.49105603991675145
Energy: 0.4586913948721337
Energy: 0.41420826459855137
Energy: 0.491611287466041
Energy: 0.4583929141824261
Energy: 0.4166613186916001
Energy: 0.4959847652739421
Energy: 0.4944747571785184
Energy: 0.41725355879170284
Energy: 0.495625357979141
Energy: 0.4581080546236683
Energy: 0.5524946926962876
Energy: 0.49593084353091516
Energy: 0.49404629752192675
Energy: 0.521169159257423
Energy: 0.49866287646539587
Energy: 0.4927532719170652
Energy: 0.4339117023728191
Energy: 0.41543501970497726
Energy: 0.4138077822506353
Energy: 0.4340017819077871
Energy: 0.4156175218479834
Energy: 0.414123135705322
Energy: 0.5909878072311764
Energy: 0.45701456843666705
Energy: 0.4573016943077988
Energy: 0.45765877130026306
Energy: 0.413204376863798
Energy: 0.4567256718776858
Energy: 0.4348832743068647
Energy: 0.5069327645400021
Energy: 0.5067438431400367
Energy: 0.43475372532897294
Energy: 0.5077780095397889
Energy: 0.5063479814772816
Energy: 0.43421517674257615
Energy: 0.4565734069298659
Energy: 0.434082140912184
Energy: 0.4343232984402844
Energy: 0.45727541136941324
Energy: 0.434111084474842
Energy: 0.535279299939498
Energy: 0.48556649275030783
Energy: 0.4349968495443045
Energy: 0.5364432539488617
Energy: 0.4894427662289695
Energy: 0.43462057598483367
Energy: 0.47413684870648054
Energy: 0.4883753519490156
Energy: 0.48741706470292484
Energy: 0.4649399071429087
Energy: 0.4886221532248084
Energy: 0.48737865337910585
Energy: 0.6451667784207372
Energy: 0.565268146793529
Energy: 0.4336146629065704
Energy: 0.434299620272147
Energy: 0.5656285387098862
Energy: 0.4345565914764362
Energy: 0.5382381871480248
Energy: 0.4873426749037116
Energy: 0.48734765989018514
Energy: 0.4907674765798255
Energy: 0.5218574537156071
Energy: 0.46310510879326755
Energy: 0.5357906632772708
Energy: 0.433669367430917
Energy: 0.49118098196090276
Energy: 0.5352173803062317
Energy: 0.43393855870011894
Energy: 0.5185922644331963
Energy: 0.5649080096763857
Energy: 0.46659540860191717
Energy: 0.4866117118131549
Energy: 0.5660610649156276
Energy: 0.5202258732577879
Energy: 0.48743768383496394
Energy: 0.4787208676563116
Energy: 0.5194272930211605
Energy: 0.4876686821660883
Energy: 0.4795109903263895
Energy: 0.5202374310759402
Energy: 0.5239106353750018

minimum gb energy = 0.413204376863798 eV
minimum distance =  2.59795007350907 Angstroms
sigma value = 57


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

Energy: 0.6212600923703777
Energy: 0.5192740458190934
Energy: 0.4560487547080345
Energy: 0.4213003878052295
Energy: 0.6383413242553891
Energy: 0.45520464815525885
Energy: 0.5133000177992526
Energy: 0.4751908226432167
Energy: 0.47709246949076073
Energy: 0.4766929490173929
Energy: 0.47294722778589915
Energy: 0.47408657513266755
Energy: 0.535909296281172
Energy: 0.49336397442326424
Energy: 0.4061814036993182
Energy: 0.53684225982431
Energy: 0.4066191904705917
Energy: 0.4376608328417581
Energy: 0.4740299967223059
Energy: 0.4065824268108592
Energy: 0.43785049181226116
Energy: 0.47432098144392615
Energy: 0.4796203055537226
Energy: 0.4378187917439292
Energy: 0.4468345488044867
Energy: 0.42600564767419996
Energy: 0.4693619925781171
Energy: 0.44635355645762165
Energy: 0.498598105832388
Energy: 0.4711292325813377
Energy: 0.5726360531752496
Energy: 0.42281769593987995
Energy: 0.40612851405641504
Energy: 0.48445954689808074
Energy: 0.4227862235382325
Energy: 0.40627749004955493
Energy: 0.5180634312460739
Energy: 0.42795587007299035
Energy: 0.4298436460986658
Energy: 0.509969197888326
Energy: 0.42650281117055366
Energy: 0.4571832740907149
Energy: 0.5033325418497573
Energy: 0.4632066028236139
Energy: 0.46586497655990716
Energy: 0.5039741850243815
Energy: 0.46520468455876257
Energy: 0.4447742313913385
Energy: 0.3996611742421971
Energy: 0.4753519201248261
Energy: 0.39807438454848504
Energy: 0.4003191202229983
Energy: 0.5168863405377447
Energy: 0.39788612106174104
Energy: 0.39850039998509273
Energy: 0.47290317997550996
Energy: 0.4678748565734106
Energy: 0.3985378474004129
Energy: 0.4685107070404664
Energy: 0.46953877218940293
Energy: 0.5358098192858884
Energy: 0.3862897857537276
Energy: 0.46296427576970534
Energy: 0.4599830079397819
Energy: 0.3863524252805683
Energy: 0.46312625368270854
Energy: 0.5122985329173171
Energy: 0.39051917947163833
Energy: 0.38604807237994404
Energy: 0.5128392687537735
Energy: 0.39056565281207023
Energy: 0.4601844197779692
Energy: 0.458019422551939
Energy: 0.4584408677432708
Energy: 0.4537709530977281
Energy: 0.46170434133867283
Energy: 0.46198867435152197
Energy: 0.45608787652353056
Energy: 0.3862013640674413
Energy: 0.4628048699174007
Energy: 0.38591986997596145
Energy: 0.3872856852316144
Energy: 0.5127193105016686
Energy: 0.3860421092002847
Energy: 0.3861941815166388
Energy: 0.46218947601408733
Energy: 0.4615913392828816
Energy: 0.386077849261708
Energy: 0.46214391824156875
Energy: 0.46058699243592727
Energy: 0.5057035627445132
Energy: 0.3985366940009695
Energy: 0.4686913888480708
Energy: 0.4695450307024039
Energy: 0.4043587150768001
Energy: 0.4671898728155881
Energy: 0.4061042061112651
Energy: 0.40349555015454175
Energy: 0.3980701471324577
Energy: 0.4635084508800553
Energy: 0.4029656800003839
Energy: 0.4377903668914686
Energy: 0.4229377646112556
Energy: 0.4381552330398494
Energy: 0.43976306672765736
Energy: 0.46570749163020925
Energy: 0.4826876692462979
Energy: 0.4376425720977048
Energy: 0.42342757872402603
Energy: 0.4446498357698167
Energy: 0.4230066085610038
Energy: 0.4241544821918897
Energy: 0.5128214553523495
Energy: 0.42307152753722826
Energy: 0.5156601492601193
Energy: 0.43724966830992823
Energy: 0.44545399607720326
Energy: 0.5127208307310815
Energy: 0.398926598959558
Energy: 0.5132969511455963
Energy: 0.5125472883092727
Energy: 0.477555573378401
Energy: 0.4729592885223961
Energy: 0.5065834587782958
Energy: 0.47740752657305713
Energy: 0.4712905423841034
Energy: 0.47909569250027023
Energy: 0.47124769775499614
Energy: 0.44828654708129034
Energy: 0.4940364838021868
Energy: 0.476806369845795
Energy: 0.4227097303587166
Energy: 0.430652166697868
Energy: 0.5006878339328498
Energy: 0.4713920529236572
Energy: 0.4743581671378125
Energy: 0.5366329235492696
Energy: 0.47120214342747724
Energy: 0.5094800842168178
Energy: 0.4274741832548416
Energy: 0.467100204916139
Energy: 0.5102874200546546
Energy: 0.49908906285328014
Energy: 0.4716592267254711
Energy: 0.5392914925973539
Energy: 0.42241216709296836
Energy: 0.42268768831779513
Energy: 0.5401479418573091
Energy: 0.4230746470133978
Energy: 0.4710871302651301
Energy: 0.5398485291943973
Energy: 0.4771169999020301
Energy: 0.47425170999988203
Energy: 0.5402268377546999
Energy: 0.4750125870692231
Energy: 0.4721917546518238
Energy: 0.6155120900819145
Energy: 0.5016736490454317
Energy: 0.4382484342896892
Energy: 0.4067939688698325
Energy: 0.5392402685632091
Energy: 0.43782881927161266

minimum gb energy = 0.38591986997596145 eV
minimum distance =  2.60965188667789 Angstroms
sigma value = 43


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

Energy: 0.5681048268295191
Energy: 0.4703052647651404
Energy: 0.4184435028685438
Energy: 0.4314470016357303
Energy: 0.520056276613344
Energy: 0.39199849102594997
Energy: 0.45441311436167114
Energy: 0.42394883643311404
Energy: 0.42369371165728203
Energy: 0.4243172150406943
Energy: 0.42530647588533854
Energy: 0.4208035314580297
Energy: 0.4718936621221849
Energy: 0.4257704596097851
Energy: 0.37308254729637713
Energy: 0.4726754673073197
Energy: 0.4270318195730478
Energy: 0.37158107129296336
Energy: 0.425926233077842
Energy: 0.37492270599216376
Energy: 0.3734376103668156
Energy: 0.42667744492020204
Energy: 0.4466361258296659
Energy: 0.3986158875345071
Energy: 0.4283870588369741
Energy: 0.3854624453391556
Energy: 0.38542205466535984
Energy: 0.42824643413467123
Energy: 0.4155943547305636
Energy: 0.41219071026132204
Energy: 0.5346147860832124
Energy: 0.3853416069830988
Energy: 0.371587397479822
Energy: 0.40698418060137914
Energy: 0.3853737275747395
Energy: 0.352501460671417
Energy: 0.4514615944371854
Energy: 0.38594488648960806
Energy: 0.3855192660099054
Energy: 0.3937973048642438
Energy: 0.3884662767152689
Energy: 0.3857907817163139
Energy: 0.4451138919843949
Energy: 0.40079894468184274
Energy: 0.410330058345737
Energy: 0.44515356421398117
Energy: 0.4007309662123467
Energy: 0.4096333949793684
Energy: 0.3633608193540294
Energy: 0.409619765872765
Energy: 0.3624000555413574
Energy: 0.36422803019576117
Energy: 0.44653427405894874
Energy: 0.3624534679886227
Energy: 0.36264307067780843
Energy: 0.4045993174466161
Energy: 0.41081276815692647
Energy: 0.36237398829051115
Energy: 0.38664381399094483
Energy: 0.41812741560598005
Energy: 0.34113992303948654
Energy: 0.3466141376073915
Energy: 0.3794958296671956
Energy: 0.39630852291047297
Energy: 0.3467371362495711
Energy: 0.401725594797669
Energy: 0.4435575528821455
Energy: 0.34663901519210016
Energy: 0.34672892669394384
Energy: 0.4238514682948273
Energy: 0.34675453335655315
Energy: 0.4072813133224421
Energy: 0.4385570036551576
Energy: 0.3958806896226233
Energy: 0.39740194552433894
Energy: 0.4392552808704127
Energy: 0.39550206238251584
Energy: 0.39863239674902123
Energy: 0.3369575558667976
Energy: 0.42518836763378665
Energy: 0.33648913990843937
Energy: 0.33782669497594525
Energy: 0.43888727728830007
Energy: 0.3366591172530168
Energy: 0.3364012944911204
Energy: 0.39163956855246573
Energy: 0.39596829999283045
Energy: 0.3364205014860191
Energy: 0.3979762882051821
Energy: 0.3991032463704568
Energy: 0.4375859787085284
Energy: 0.33185168451269276
Energy: 0.3317199907377162
Energy: 0.3889100578479007
Energy: 0.3320862128822692
Energy: 0.3953854776850827
Energy: 0.4398030333084937
Energy: 0.3318097651161214
Energy: 0.33182592256331894
Energy: 0.3962587267590363
Energy: 0.33178730242402743
Energy: 0.3960859286463762
Energy: 0.43860438035595867
Energy: 0.3877374682761577
Energy: 0.3901020672710575
Energy: 0.4395693844797663
Energy: 0.39179641086489786
Energy: 0.39906490997405625
Energy: 0.33178864157209303
Energy: 0.4360710536839952
Energy: 0.3321075636550602
Energy: 0.33292054201181054
Energy: 0.4382931117787417
Energy: 0.3317845517104341
Energy: 0.4370024734051129
Energy: 0.39348919315003633
Energy: 0.38667408736190756
Energy: 0.43800941933552007
Energy: 0.3934942878488032
Energy: 0.3989447586035672
Energy: 0.44022154213170867
Energy: 0.33672040167860484
Energy: 0.3366886895520794
Energy: 0.3961007606467245
Energy: 0.3366213775860466
Energy: 0.3988374734447504
Energy: 0.33434966872093375
Energy: 0.33682328592715477
Energy: 0.33641996683474246
Energy: 0.39882872419589377
Energy: 0.33690789077660094
Energy: 0.3989001186939619
Energy: 0.3464736887125181
Energy: 0.3976484767224248
Energy: 0.403105037731372
Energy: 0.34648913042902296
Energy: 0.399426987485326
Energy: 0.40304408228733407
Energy: 0.34677115407166764
Energy: 0.44369633835700695
Energy: 0.3467431760707545
Energy: 0.3477588638088769
Energy: 0.44387944639276056
Energy: 0.3467781035546189
Energy: 0.4419455182083284
Energy: 0.39830514150376506
Energy: 0.40651456012913695
Energy: 0.44293461507849624
Energy: 0.398114632277268
Energy: 0.4065623635434435
Energy: 0.4523977491005759
Energy: 0.3628479972718759
Energy: 0.3626631977130785
Energy: 0.4126592252189209
Energy: 0.36278912365721994
Energy: 0.41874484911156934
Energy: 0.34782542376742775
Energy: 0.36243705535285076
Energy: 0.3625399878282945
Energy: 0.40282094929409235
Energy: 0.36237305994831365
Energy: 0.3790558491742307
Energy: 0.3759831790598023
Energy: 0.39289193979201203
Energy: 0.3984192665781403
Energy: 0.3855790402508025
Energy: 0.39999944536649534
Energy: 0.39945013279395547
Energy: 0.38647580800372255
Energy: 0.3933971965103343
Energy: 0.3855922805945757
Energy: 0.387195529553933
Energy: 0.45191093499340507
Energy: 0.385557361835339
Energy: 0.4527073910391819
Energy: 0.40613419208595425
Energy: 0.39319298106671874
Energy: 0.45047900419340353
Energy: 0.4103717752001875
Energy: 0.3627568722736685
Energy: 0.44931839914176924
Energy: 0.42428953520254314
Energy: 0.4236590404685267
Energy: 0.3861816773451807
Energy: 0.426901490151632
Energy: 0.42144316135095033
Energy: 0.5510184511639268
Energy: 0.4235830432592949
Energy: 0.404628502764858
Energy: 0.4215061588356289
Energy: 0.4236195055797457
Energy: 0.3625255808046161
Energy: 0.4217800472412987
Energy: 0.4238091129499824
Energy: 0.4237224230035829
Energy: 0.46066798165228606
Energy: 0.4713920520990719
Energy: 0.423569731749529
Energy: 0.45339105493094134
Energy: 0.38560370533657373
Energy: 0.3855397746256261
Energy: 0.45420024151258337
Energy: 0.45305971700500625
Energy: 0.42357848685588406
Energy: 0.4723242477884509
Energy: 0.4334620811930136
Energy: 0.3862927704755275
Energy: 0.473090769896061
Energy: 0.3642669488261045
Energy: 0.38573340863441286
Energy: 0.47024065032062545
Energy: 0.42379528460567556
Energy: 0.4235041759481671
Energy: 0.42665833707693157
Energy: 0.4637887837262629
Energy: 0.4239717474000243

minimum gb energy = 0.3317199907377162 eV
minimum distance =  2.58702092216056 Angstroms
sigma value = 81


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

Energy: 0.15975526578500754
Energy: 0.18094705751463494
Energy: 0.08346030899381571
Energy: 0.0846214642219901
Energy: 0.27350245079805724
Energy: 0.15978591214907265
Energy: 0.1816954699392099
Energy: 0.2433982897565056
Energy: 0.2433983343549594
Energy: 0.2836990224544763
Energy: 0.24404802609808846
Energy: 0.24051491057681326
Energy: 0.2584694297667442
Energy: 0.08347138803716268
Energy: 0.083523627187809
Energy: 0.2815443878620218
Energy: 0.08337293022225284
Energy: 0.08382114779766899
Energy: 0.2527740233767164
Energy: 0.08350206981856635
Energy: 0.08345093072980422
Energy: 0.25196554901726914
Energy: 0.08350511551912873
Energy: 0.10633287281911033
Energy: 0.10594820952941789
Energy: 0.2645261695129399
Energy: 0.26444613151280927
Energy: 0.10665064490017313
Energy: 0.26401402942280205
Energy: 0.26515130221757743
Energy: 0.08378109935513355
Energy: 0.24212807003344836
Energy: 0.08370298370605682
Energy: 0.0848943500397
Energy: 0.15904925387571264
Energy: 0.0833953492063378
Energy: 0.27242874602839207
Energy: 0.2420978729525112
Energy: 0.24209931357051662
Energy: 0.27007702977363
Energy: 0.24202674901985385
Energy: 0.24296100877627286
Energy: 0.27276659202472825
Energy: 0.0834328029786454
Energy: 0.0834958980814536
Energy: 0.27180151314041695
Energy: 0.08336796866828965
Energy: 0.0835673606345788
Energy: 0.23800537123519522
Energy: 0.08353788511695
Energy: 0.10681123387416853
Energy: 0.2623583939642294
Energy: 0.08339247097747207
Energy: 0.10729216416640411
Energy: 0.15983470680782344
Energy: 0.2643754921213081
Energy: 0.2659230681518051
Energy: 0.08351724121789167
Energy: 0.2659145120770187
Energy: 0.2624160203717406

minimum gb energy = 0.08336796866828965 eV
minimum distance =  2.75965024033182 Angstroms
sigma value = 3


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

Energy: 0.49139079824640164
Energy: 0.48246869454295926
Energy: 0.47600268130796897
Energy: 0.44906138722082967
Energy: 0.6119679370927775
Energy: 0.44916424544052697
Energy: 0.44609491404283447
Energy: 0.4522004608914064
Energy: 0.45182329991556525
Energy: 0.45236046506098737
Energy: 0.4528337124980185
Energy: 0.45651420355541217
Energy: 0.4665332846831479
Energy: 0.44249232963425805
Energy: 0.44232542343072173
Energy: 0.466787259536439
Energy: 0.45305974564345497
Energy: 0.4558610927762565
Energy: 0.43264748567286415
Energy: 0.44181980441774804
Energy: 0.44227287174365054
Energy: 0.43363928371824073
Energy: 0.3962366902882493
Energy: 0.4558206818991674
Energy: 0.3951587339332986
Energy: 0.4521708444215784
Energy: 0.45651186690684065
Energy: 0.39515814818469114
Energy: 0.4529117567261442
Energy: 0.4563776398613039
Energy: 0.42921421627079104
Energy: 0.4625855277223281
Energy: 0.4432446645026669
Energy: 0.4249542951111153
Energy: 0.44633593069184674
Energy: 0.4239554653232109
Energy: 0.42827727727978643
Energy: 0.3954038507025631
Energy: 0.43219244810472696
Energy: 0.4271564551384177
Energy: 0.3969094476525723
Energy: 0.4588979594128335
Energy: 0.43272526424119284
Energy: 0.4239988448287467
Energy: 0.4238522270428026
Energy: 0.4326269515390356
Energy: 0.41272459745348594
Energy: 0.4062767324928875
Energy: 0.42697424139268025
Energy: 0.4230869587677058
Energy: 0.44314041331279536
Energy: 0.43408097469040735
Energy: 0.3723414613945923
Energy: 0.443222856200404
Energy: 0.37224505321091017
Energy: 0.39540261749099964
Energy: 0.3952118855365943
Energy: 0.37231015849315413
Energy: 0.39676819936355445
Energy: 0.40648018388473484
Energy: 0.4146472401608847
Energy: 0.42444549004396664
Energy: 0.4240195922230729
Energy: 0.4136323898127335
Energy: 0.4150114027414007
Energy: 0.4131289209337274
Energy: 0.3734323395397651
Energy: 0.4234377742501273
Energy: 0.4244522639818898
Energy: 0.37340903682094667
Energy: 0.41545622088357775
Energy: 0.37277574565845495
Energy: 0.37173679048426367
Energy: 0.4070746156781051
Energy: 0.4135916200630501
Energy: 0.37145931968580415
Energy: 0.40732972513228327
Energy: 0.37118191013685053
Energy: 0.41113159558220097
Energy: 0.4196977251032084
Energy: 0.41243019376030055
Energy: 0.41284417044047317
Energy: 0.4201261088318336
Energy: 0.4134859726024376
Energy: 0.4092187683205134
Energy: 0.3572928866956681
Energy: 0.35707566327089757
Energy: 0.40693771696707354
Energy: 0.3585322602174039
Energy: 0.357146857665611
Energy: 0.40707537552853573
Energy: 0.4090293386286217
Energy: 0.4085361997858223
Energy: 0.4067728667425377
Energy: 0.40604571544692847
Energy: 0.40917907358592187
Energy: 0.3509217040645434
Energy: 0.4072963252877407
Energy: 0.40635637938520563
Energy: 0.35088279332957173
Energy: 0.40785579563555024
Energy: 0.350643735044917
Energy: 0.35097746154222564
Energy: 0.4053663074923722
Energy: 0.4079695723931054
Energy: 0.35091582074862077
Energy: 0.4053178146126249
Energy: 0.41748100985054704
Energy: 0.419645322284421
Energy: 0.4169152392517445
Energy: 0.40600507157609916
Energy: 0.40530720385057895
Energy: 0.4184362458957948
Energy: 0.40754906841893046
Energy: 0.4031286780421702
Energy: 0.3506191777474952
Energy: 0.3506651203256812
Energy: 0.4041601740942533
Energy: 0.3525364838350158
Energy: 0.3501892692621439
Energy: 0.4060380541654296
Energy: 0.40665018039282913
Energy: 0.4085613429951159
Energy: 0.40620416324875974
Energy: 0.40704560239534715
Energy: 0.4071186975570733
Energy: 0.35861901623925957
Energy: 0.4068835741204896
Energy: 0.4080026816316928
Energy: 0.3592836419468582
Energy: 0.4068739025412918
Energy: 0.35706465565523265
Energy: 0.35887292031315726
Energy: 0.41348848611597516
Energy: 0.413774266939842
Energy: 0.35884671623636305
Energy: 0.4121918835180874
Energy: 0.41235476634651985
Energy: 0.4093121404245847
Energy: 0.3717072177739238
Energy: 0.37170375080296325
Energy: 0.4090754056273251
Energy: 0.37172321571749595
Energy: 0.4084888021991434
Energy: 0.4206892043867997
Energy: 0.37178194148049476
Energy: 0.37207020682497177
Energy: 0.4173625479642369
Energy: 0.3720533576595744
Energy: 0.3722488066240766
Energy: 0.4162718502087655
Energy: 0.41641483874657426
Energy: 0.41638208680022437
Energy: 0.41630404461810594
Energy: 0.41650555715201504
Energy: 0.42405238545249535
Energy: 0.3954349482478852
Energy: 0.41580275352938983
Energy: 0.41629166650604904
Energy: 0.39638314999002744
Energy: 0.4220257115356057
Energy: 0.39513487921960794
Energy: 0.3817799705818585
Energy: 0.43414062400502956
Energy: 0.43341562857452853
Energy: 0.38174794908938137
Energy: 0.4012900167600982
Energy: 0.4330516355462117
Energy: 0.4198629259718332
Energy: 0.43246250595051833
Energy: 0.4213460398887727
Energy: 0.4174682337862084
Energy: 0.43260657958442705
Energy: 0.4161834681012251
Energy: 0.39662208995817594
Energy: 0.4253321071918972
Energy: 0.42256316318142556
Energy: 0.39703542119192897
Energy: 0.42805894086822927
Energy: 0.42286485102621135
Energy: 0.42325816279709955
Energy: 0.4303224110398556
Energy: 0.4299819641486779
Energy: 0.4234919093105026
Energy: 0.416575478104048
Energy: 0.42995992591576077
Energy: 0.4667276650290484
Energy: 0.42971995333443513
Energy: 0.45411742693614876
Energy: 0.4669245651399876
Energy: 0.4110280910938183
Energy: 0.45658815685585274
Energy: 0.40852072010437446
Energy: 0.4326408661571157
Energy: 0.4322802322594849
Energy: 0.4084437982783473
Energy: 0.43396336447306677
Energy: 0.45556582535204954

minimum gb energy = 0.3501892692621439 eV
minimum distance =  2.66377687867917 Angstroms
sigma value = 67


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

Energy: 0.5621002315061188
Energy: 0.5395756550113358
Energy: 0.5281423847595412
Energy: 0.5188928899610756
Energy: 0.6640035997172453
Energy: 0.529923516999393
Energy: 0.5070690412859585
Energy: 0.5200732858260994
Energy: 0.5179283026700893
Energy: 0.5304365628145136
Energy: 0.519650023343421
Energy: 0.511373934503808
Energy: 0.5316879946312772
Energy: 0.5012923017496678
Energy: 0.5210476187025153
Energy: 0.5321515392726658
Energy: 0.5144862441505544
Energy: 0.521299163421974
Energy: 0.4777850216166762
Energy: 0.5209940308160439
Energy: 0.5212220413244466
Energy: 0.47839619322761767
Energy: 0.48274004755778355
Energy: 0.5214067748184681
Energy: 0.47933412030245903
Energy: 0.5222741237704472
Energy: 0.5258142715929284
Energy: 0.4786180279435675
Energy: 0.5391297585176265
Energy: 0.5220863745373832
Energy: 0.5402084596435788
Energy: 0.5277266853358819
Energy: 0.4999831114894537
Energy: 0.5009696790496811
Energy: 0.535857554226309
Energy: 0.5016223886045392
Energy: 0.48252206996425895
Energy: 0.47790552074764253
Energy: 0.4861486856612952
Energy: 0.4790726885896241
Energy: 0.4388885071906243
Energy: 0.4850070516497819
Energy: 0.48113671566480276
Energy: 0.48205335906231045
Energy: 0.48584685232363267
Energy: 0.481576630930154
Energy: 0.4815637353180866
Energy: 0.4828648437450872
Energy: 0.48636326055354034
Energy: 0.5013385553417745
Energy: 0.5052633489805424
Energy: 0.49417151563461426
Energy: 0.4354556418242744
Energy: 0.5038304661722635
Energy: 0.4861841168786104
Energy: 0.43878631578206106
Energy: 0.4353468195171507
Energy: 0.48702644693887004
Energy: 0.43630185884718814
Energy: 0.43501122011402565
Energy: 0.48496558620332336
Energy: 0.48560877590714424
Energy: 0.48476215758327024
Energy: 0.48211419032496133
Energy: 0.49164089368400116
Energy: 0.4856745050536997
Energy: 0.4195510865570507
Energy: 0.4841009476145842
Energy: 0.48310901260696104
Energy: 0.4196388115892851
Energy: 0.4795554734901658
Energy: 0.415375591970733
Energy: 0.4196566130731247
Energy: 0.48011503216657025
Energy: 0.47895197237985354
Energy: 0.4155190274118653
Energy: 0.4766427302910678
Energy: 0.415025832605146
Energy: 0.47154393740952777
Energy: 0.48599878071947444
Energy: 0.4777146638582091
Energy: 0.4765063621327167
Energy: 0.4838617920811138
Energy: 0.47866864870088843
Energy: 0.47207540890748073
Energy: 0.4177949713721935
Energy: 0.4156509591375463
Energy: 0.4725674776630961
Energy: 0.41667425164006217
Energy: 0.4150816226198753
Energy: 0.47206963800783663
Energy: 0.4867748392317632
Energy: 0.4843043825714862
Energy: 0.4849464302208383
Energy: 0.4522950156004337
Energy: 0.48309706729577934
Energy: 0.4373866646589732
Energy: 0.4799331596046094
Energy: 0.47785591422594403
Energy: 0.4369692930826194
Energy: 0.47551011060294773
Energy: 0.4350833888479095
Energy: 0.4363540109155036
Energy: 0.4937999511714231
Energy: 0.5030021884563863
Energy: 0.4360934315929147
Energy: 0.45345634542079255
Energy: 0.4762568214865527
Energy: 0.47456567459753213
Energy: 0.5122404304162951
Energy: 0.4871800794902439
Energy: 0.4873142618443779
Energy: 0.5152404701939589
Energy: 0.48726646985899824
Energy: 0.4761224442684527
Energy: 0.4803589737587331
Energy: 0.48466079167322035
Energy: 0.4761431187357495
Energy: 0.4820454576693943
Energy: 0.4837504129721702
Energy: 0.47266680032504804
Energy: 0.5132397284157395
Energy: 0.513433743984877
Energy: 0.4731706833208214
Energy: 0.4588072104795877
Energy: 0.5187142670545662
Energy: 0.5331149606017173
Energy: 0.4867841848944068
Energy: 0.5133787866240705
Energy: 0.5321249575086702
Energy: 0.4993069835418907
Energy: 0.5136808442525225
Energy: 0.5073874918262177
Energy: 0.4792748575565432
Energy: 0.5189129040142284
Energy: 0.5067842811939194
Energy: 0.4827614064709972
Energy: 0.5222889685420978

minimum gb energy = 0.415025832605146 eV
minimum distance =  2.60791842616593 Angstroms
sigma value = 33


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

Energy: 0.6603713819134776
Energy: 0.6317609360039638
Energy: 0.6110962781391585
Energy: 0.6625570236129031
Energy: 0.6027201748099418
Energy: 0.5573006853664049
Energy: 0.5244179722427017
Energy: 0.545028142224002
Energy: 0.5443775904270933
Energy: 0.5588135473181197
Energy: 0.5603814074345929
Energy: 0.545353140144186
Energy: 0.5599220358988221
Energy: 0.5520690144942091
Energy: 0.5518494781911006
Energy: 0.5604139372205843
Energy: 0.5473335233498158
Energy: 0.5434087216042659
Energy: 0.4936426418777661
Energy: 0.5524391063351735
Energy: 0.5519216549953488
Energy: 0.49418084633688664
Energy: 0.49701947794713397
Energy: 0.5521063177863798
Energy: 0.4944967180762904
Energy: 0.5454093857696724
Energy: 0.5446261661380241
Energy: 0.494288110140527
Energy: 0.5599520307363769
Energy: 0.5531933633349788
Energy: 0.5444528360035441
Energy: 0.5725076112009853
Energy: 0.567594601406864
Energy: 0.5496150379582876
Energy: 0.587370579560108
Energy: 0.5297719388554809
Energy: 0.4936771113835177
Energy: 0.5072836378629538
Energy: 0.5541957855230023
Energy: 0.49441479648032677
Energy: 0.49730274021306986
Energy: 0.49030963111017395
Energy: 0.49551260099102035
Energy: 0.5297692167480539
Energy: 0.5297129792217793
Energy: 0.494796489988195
Energy: 0.5296992740792845
Energy: 0.49399515280486506
Energy: 0.515608476893647
Energy: 0.5297908874856332
Energy: 0.5323746092177808
Energy: 0.5269152884069958
Energy: 0.4541151335065527
Energy: 0.5298971970820024
Energy: 0.5139126070911775
Energy: 0.45441320067620367
Energy: 0.4546330959850678
Energy: 0.5148537245996794
Energy: 0.4544001986479944
Energy: 0.4541934905720815
Energy: 0.5146009746549572
Energy: 0.5185178258773352
Energy: 0.5195937462663894
Energy: 0.5173498156524399
Energy: 0.516438452422348
Energy: 0.5190323851725961
Energy: 0.45487959696176383
Energy: 0.5174962041761948
Energy: 0.5178360551336587
Energy: 0.45460205722236324
Energy: 0.5147955843773155
Energy: 0.45369860393744893
Energy: 0.45871000533477735
Energy: 0.5313041357732613
Energy: 0.53309321360257
Energy: 0.454968164881348
Energy: 0.5145870331533878
Energy: 0.4538552952804555
Energy: 0.5190440259701269
Energy: 0.5335999169308437
Energy: 0.530417690916063
Energy: 0.5237362105297504
Energy: 0.5357614711877985
Energy: 0.5165145378960956
Energy: 0.5175276959527819
Energy: 0.49448096403943587
Energy: 0.49371657957437876
Energy: 0.48784591497557284
Energy: 0.4946636647199182
Energy: 0.5032034887699374
Energy: 0.4925224357221626
Energy: 0.540484832211123
Energy: 0.540463026404399
Energy: 0.5031056867942929
Energy: 0.4622050415918155
Energy: 0.5529075276706779
Energy: 0.558237231317829
Energy: 0.5404942196971773
Energy: 0.5403530424586739
Energy: 0.5582488334164251
Energy: 0.5400805818086217
Energy: 0.5333882752492463
Energy: 0.5592884872370959
Energy: 0.4953537465919709
Energy: 0.5448951680982678
Energy: 0.5597099004284382
Energy: 0.49436372823160923
Energy: 0.5416825314637592
Energy: 0.6568003971254011
Energy: 0.5475793678155494
Energy: 0.5910253468671862
Energy: 0.5686540446012229
Energy: 0.5727502620542142
Energy: 0.5332006874170334
Energy: 0.5248852801007321
Energy: 0.5457901045826412
Energy: 0.5445030275371066
Energy: 0.524630640168429
Energy: 0.5598807138780582
Energy: 0.544820177377686
Energy: 0.5587691245621204
Energy: 0.5521595711174613
Energy: 0.551978504788842
Energy: 0.5594422582733113
Energy: 0.4973822884091735
Energy: 0.5436036931758523
Energy: 0.49399597592625927
Energy: 0.5520207150208581
Energy: 0.5519493413822618
Energy: 0.49450917239139286
Energy: 0.547709434818895
Energy: 0.5518690447617832
Energy: 0.49431315103236423
Energy: 0.5451360762199766
Energy: 0.5399479772626865
Energy: 0.49415095402281717
Energy: 0.5603256360475511
Energy: 0.5534686524012233
Energy: 0.6066865398545283
Energy: 0.5863666392768971
Energy: 0.5677758558574257
Energy: 0.5446767216189717
Energy: 0.5863049650416772
Energy: 0.5224789706901064
Energy: 0.4950066400155386
Energy: 0.5053434757247321
Energy: 0.5534355893290208
Energy: 0.494523508499192
Energy: 0.49750790481242624
Energy: 0.5545623500763702
Energy: 0.494154997668988
Energy: 0.5301818072593126
Energy: 0.529976476118836
Energy: 0.4948355553474073
Energy: 0.5299790559332893
Energy: 0.49401124498550253
Energy: 0.5142041765285137
Energy: 0.5304138066317684
Energy: 0.5324014890794376
Energy: 0.537098062310321
Energy: 0.45504178298546816
Energy: 0.5301829657235158
Energy: 0.5139965296377165
Energy: 0.45449031616871904
Energy: 0.454274989306439
Energy: 0.5150416735910662
Energy: 0.45487471500595544
Energy: 0.454188768279461
Energy: 0.5150214094487513
Energy: 0.488240150689842
Energy: 0.5180180308922496
Energy: 0.5177279911978279
Energy: 0.5152948592798593
Energy: 0.5208981622939096
Energy: 0.4544528531586905
Energy: 0.5178741108402192
Energy: 0.5177464713771608
Energy: 0.45448403458120107
Energy: 0.51535878996974
Energy: 0.45333489803758076
Energy: 0.4573399508359231
Energy: 0.5222741992819211
Energy: 0.49515314951919653
Energy: 0.45730080819197255
Energy: 0.48699874261582904
Energy: 0.4536305278258007
Energy: 0.5203243349542334
Energy: 0.5325773641829148
Energy: 0.5322815542943407
Energy: 0.5151581137626592
Energy: 0.5356071959099528
Energy: 0.519449151241797
Energy: 0.4869893398787929
Energy: 0.49454352539838314
Energy: 0.4940849514504512
Energy: 0.4876418419109744
Energy: 0.49453568083439403
Energy: 0.503256848662477
Energy: 0.49894570866312044
Energy: 0.46202043997004383
Energy: 0.5528741280434993
Energy: 0.4992624581502559
Energy: 0.46222618428063017
Energy: 0.5532056478181813
Energy: 0.5582092717893867
Energy: 0.5403284878801098
Energy: 0.5404019044200102
Energy: 0.5582915655404528
Energy: 0.523054933215366
Energy: 0.5334671495513056
Energy: 0.5596165828021232
Energy: 0.4944263736270201
Energy: 0.4938704193536475
Energy: 0.5596627975687414
Energy: 0.49415611324371495
Energy: 0.5400655338816417
Energy: 0.6494069984743258
Energy: 0.5583878257675964
Energy: 0.5775314157051438
Energy: 0.6000986330881082
Energy: 0.5473638517174404
Energy: 0.5416119628267849

minimum gb energy = 0.45333489803758076 eV
minimum distance =  2.59501419113051 Angstroms
sigma value = 41


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

Energy: 0.6275268618598489
Energy: 0.6160117165026521
Energy: 0.6444615183827891
Energy: 0.6293158226571092
Energy: 0.6095498499194143
Energy: 0.6453901102670971
Energy: 0.533376105212228
Energy: 0.5663366865017456
Energy: 0.5662462325228348
Energy: 0.5820034066924038
Energy: 0.585131563452583
Energy: 0.5660688929803424
Energy: 0.5828683010248625
Energy: 0.5857237169104282
Energy: 0.586957127847665
Energy: 0.5835751902910087
Energy: 0.5644856345680583
Energy: 0.5652086989652321
Energy: 0.5115830328451314
Energy: 0.5847701802716979
Energy: 0.5856556555311451
Energy: 0.511411083323414
Energy: 0.510336430238258
Energy: 0.5661266374068213
Energy: 0.5122362166838598
Energy: 0.5860595725421331
Energy: 0.5666884931783682
Energy: 0.5112306407897748
Energy: 0.5831315922663696
Energy: 0.5882501900192686
Energy: 0.6019325525042774
Energy: 0.6013642200900398
Energy: 0.603882423827905
Energy: 0.6001179378755311
Energy: 0.6216649253583948
Energy: 0.6036760881143733
Energy: 0.5126550747580125
Energy: 0.5876935652823105
Energy: 0.5872361632341639
Energy: 0.5112960943482869
Energy: 0.5850747090001556
Energy: 0.5110490173268649
Energy: 0.5124244943165471
Energy: 0.5748091533765699
Energy: 0.533016399380403
Energy: 0.5131163411995247
Energy: 0.5809959604727468
Energy: 0.5111439186943448
Energy: 0.5622897379204049
Energy: 0.583064944362981
Energy: 0.5742294185157946
Energy: 0.5630379522684957
Energy: 0.5331213054151372
Energy: 0.5738731946853527
Energy: 0.5364526931823778
Energy: 0.5122350179947945
Energy: 0.5110842934781081
Energy: 0.5357902276660481
Energy: 0.5112960957441416
Energy: 0.5354752842377402
Energy: 0.5289884924038027
Energy: 0.5138048321853407
Energy: 0.5869327229936597
Energy: 0.5286735043886188
Energy: 0.48718478405521903
Energy: 0.5864920854454791
Energy: 0.5822925403807946
Energy: 0.5720844877069837
Energy: 0.5549604628295891
Energy: 0.5824347505202293
Energy: 0.5878070420126854
Energy: 0.5554197495042542
Energy: 0.5859912596985998
Energy: 0.5661317127157155
Energy: 0.5659677219569553
Energy: 0.5864581708772251
Energy: 0.5672737768592137
Energy: 0.5662268798003459
Energy: 0.6263527680116174
Energy: 0.5818808242947845
Energy: 0.6284663817420016
Energy: 0.5912583240423626
Energy: 0.5652495584676038
Energy: 0.6309541149760731

minimum gb energy = 0.48718478405521903 eV
minimum distance =  2.6067489289248 Angstroms
sigma value = 11


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

Energy: 0.7906016010032328
Energy: 0.5926431644625717
Energy: 0.7666580578983919
Energy: 0.7912015361577585
Energy: 0.6291281995366824
Energy: 0.5798040458620445
Energy: 0.5870921382302365
Energy: 0.5423075723263169
Energy: 0.5401471934873351
Energy: 0.6065252850586457
Energy: 0.542428693126754
Energy: 0.556472544288638
Energy: 0.6059778991675274
Energy: 0.5553680732877456
Energy: 0.5558698727387751
Energy: 0.6067111218645239
Energy: 0.5393929093990466
Energy: 0.6138230762810925
Energy: 0.573219359263655
Energy: 0.5445179353379673
Energy: 0.5562730227348992
Energy: 0.5739434887946988
Energy: 0.5279191922417069
Energy: 0.5943142982450371
Energy: 0.5779668184699298
Energy: 0.5422712905735413
Energy: 0.5420965415667435
Energy: 0.577605603574308
Energy: 0.5427970616665851
Energy: 0.5472150252704908
Energy: 0.6133667077517397
Energy: 0.5695408052455159
Energy: 0.5586025518697305
Energy: 0.5777952244808048
Energy: 0.5689988039352599
Energy: 0.6067434178720026
Energy: 0.5691444945262363
Energy: 0.5901342619161811
Energy: 0.5977859839933812
Energy: 0.5691391234819598
Energy: 0.5808134110782016
Energy: 0.5695666320512426
Energy: 0.542829561442204
Energy: 0.5780010799771389
Energy: 0.5733195781667335
Energy: 0.5428500022485072
Energy: 0.5780531908578583
Energy: 0.542306794120623
Energy: 0.5369108459703981
Energy: 0.6063091546715352
Energy: 0.5973074660186098
Energy: 0.5369104554338483
Energy: 0.5729116987062408
Energy: 0.529480290691562
Energy: 0.5467692433544934
Energy: 0.6054924713481828
Energy: 0.6059765044917694
Energy: 0.5468147484552902
Energy: 0.607080161332209
Energy: 0.5299665042180438
Energy: 0.5449493665697438
Energy: 0.5709098517595156
Energy: 0.5563793611450675
Energy: 0.5427004231005734
Energy: 0.5700860343595943
Energy: 0.542207124710415
Energy: 0.5518015081215535
Energy: 0.5553914812718621
Energy: 0.5714881000340926
Energy: 0.6089284512246229
Energy: 0.7577904299327277
Energy: 0.5933269718291488
Energy: 0.540218757755114
Energy: 0.5955456678724058
Energy: 0.5888950450143464
Energy: 0.5402173122323735
Energy: 0.6066511579910867
Energy: 0.5560214254020528
Energy: 0.5550244869504614
Energy: 0.6056617915805212
Energy: 0.6059889165459993
Energy: 0.5547487267891826
Energy: 0.6057255864623701
Energy: 0.5728668303526584
Energy: 0.5283056415390198
Energy: 0.5741963659795336
Energy: 0.5739866774645964
Energy: 0.5283733084688229
Energy: 0.5780511998470298
Energy: 0.5721107818846985
Energy: 0.5292201805272649
Energy: 0.5895290113708804
Energy: 0.5713232381866921
Energy: 0.5293066882623844
Energy: 0.5791224321650693
Energy: 0.5281287423233691
Energy: 0.5290016627208761
Energy: 0.5784705989060452
Energy: 0.6098712331300346
Energy: 0.5288794362198073
Energy: 0.5817874230579992
Energy: 0.6097067290413172
Energy: 0.6476655097982964
Energy: 0.5706587781553714
Energy: 0.5706941057559957
Energy: 0.6483931322002051
Energy: 0.5509544393634591
Energy: 0.5622075658205452
Energy: 0.5564926087379765
Energy: 0.5706168166233829
Energy: 0.5565271081848303
Energy: 0.5564116372959421
Energy: 0.5713404072482079
Energy: 0.5887590921544121
Energy: 0.5742788564107064
Energy: 0.5287780936592924
Energy: 0.550211029243369
Energy: 0.5745660063058095
Energy: 0.5430716995531996
Energy: 0.5872434890433181
Energy: 0.5706485490221219
Energy: 0.5294196229340619
Energy: 0.5624058743173721
Energy: 0.5713087836619143
Energy: 0.5291090042902573
Energy: 0.5708660602589819
Energy: 0.541405160221487
Energy: 0.570828713366299
Energy: 0.5705908549799844
Energy: 0.5412840909436091
Energy: 0.5722532775191709
Energy: 0.5583969775737577
Energy: 0.5395570144934682
Energy: 0.5711204503505319
Energy: 0.6050130169804101
Energy: 0.5396591029031488
Energy: 0.5751036831415707
Energy: 0.5728651574158574
Energy: 0.5707577155136402
Energy: 0.5561781450249517
Energy: 0.5846299465396221
Energy: 0.5708801194833626
Energy: 0.556251630660348
Energy: 0.5830770652331404
Energy: 0.5706633612782194
Energy: 0.5626359989305142
Energy: 0.5635022420754154
Energy: 0.5706062230246522
Energy: 0.5754806729209777
Energy: 0.562364766245944
Energy: 0.5786248061711596
Energy: 0.5288858214285965
Energy: 0.6098772440805856
Energy: 0.5799146318648212
Energy: 0.528919892850558
Energy: 0.6099459937889176
Energy: 0.5781638054854099
Energy: 0.5286239372740509
Energy: 0.5284378280286827
Energy: 0.5780827404805472
Energy: 0.5300619643827644
Energy: 0.5285724838465221
Energy: 0.5780514845375867
Energy: 0.5287941826765389
Energy: 0.5824971903085384
Energy: 0.5791124868248263
Energy: 0.5284011573950129
Energy: 0.5728278281316167
Energy: 0.6055076201058808
Energy: 0.5815895452711032
Energy: 0.5769023139783446
Energy: 0.6054922505137806
Energy: 0.643526616731161
Energy: 0.5763899776525142
Energy: 0.606029409061703
Energy: 0.5401498410927843
Energy: 0.5560678444676043
Energy: 0.6061911431807984
Energy: 0.5401050929982244
Energy: 0.5876121560903291
Energy: 0.793673408413165
Energy: 0.542403944878744
Energy: 0.5862351641233717
Energy: 0.7941069487692228
Energy: 0.5506731393079025
Energy: 0.58696299295948

minimum gb energy = 0.5279191922417069 eV
minimum distance =  2.54837184792018 Angstroms
sigma value = 57


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

Energy: 0.7317258248145848
Energy: 0.5385203285257556
Energy: 0.5407244499183647
Energy: 0.732955275756297
Energy: 0.5106419832357967
Energy: 0.515862415687106
Energy: 0.4984049072416792
Energy: 0.5342990724313464
Energy: 0.51143566147699
Energy: 0.5342186627090165
Energy: 0.5340790183386388
Energy: 0.5102699541401347
Energy: 0.5338321631611397
Energy: 0.5267650084052575
Energy: 0.5280116718588724
Energy: 0.5345421263422655
Energy: 0.6250448396636238
Energy: 0.5111245557462077
Energy: 0.5109559776657331
Energy: 0.511105639176368
Energy: 0.5144533819331244
Energy: 0.5116477615517367
Energy: 0.5156907493897696
Energy: 0.5115788788035427
Energy: 0.5214218190727198
Energy: 0.5335368907807403
Energy: 0.5116044423543085
Energy: 0.5205400137932354
Energy: 0.5357307045127528
Energy: 0.5105341471887985
Energy: 0.520100648205451
Energy: 0.5228911709017231
Energy: 0.5206501373219602
Energy: 0.520191910104837
Energy: 0.5237873304427747
Energy: 0.5362864771631252
Energy: 0.5114882388533175
Energy: 0.5141334744033089
Energy: 0.5202267065093502
Energy: 0.5108139960711525
Energy: 0.5141772373206902
Energy: 0.5116744729967235
Energy: 0.5358421218830624
Energy: 0.5201072930260249
Energy: 0.5114238685493342
Energy: 0.5367434871919146
Energy: 0.5212564054713057
Energy: 0.5109895474588444
Energy: 0.49854052226278506
Energy: 0.5111467148692884
Energy: 0.5145144856727001
Energy: 0.4985016935266829
Energy: 0.5128655001651197
Energy: 0.5142915742804443
Energy: 0.49835801494934395
Energy: 0.5339395818562226
Energy: 0.5145126451690005
Energy: 0.49829648054881553
Energy: 0.5350165048371007
Energy: 0.5143202877526615
Energy: 0.5356402356227141
Energy: 0.5212376163973829
Energy: 0.5141579661786813
Energy: 0.5365111434290205
Energy: 0.5340003933111133
Energy: 0.5109095067097088
Energy: 0.5116160337656661
Energy: 0.6235274742813561
Energy: 0.5376574410573157
Energy: 0.5118920232057088
Energy: 0.6221897000582303
Energy: 0.5110979454192836
Energy: 0.5145815623693004
Energy: 0.5343687731939499
Energy: 0.5110727240019364
Energy: 0.5102619816127917
Energy: 0.5338070549808123
Energy: 0.5108599626022451
Energy: 0.628423658028316
Energy: 0.5344544647423933
Energy: 0.5347280279656417
Energy: 0.6292160921589882
Energy: 0.5354944736989729
Energy: 0.5118574815741681
Energy: 0.5213959937659014
Energy: 0.5139672981466512
Energy: 0.5107720060503762
Energy: 0.5206487377951339
Energy: 0.5166561193806412
Energy: 0.5308003462771121
Energy: 0.5337596055633589
Energy: 0.514267916605892
Energy: 0.5137247421894235
Energy: 0.534611760403691
Energy: 0.5164918238563472
Energy: 0.5119062674760456
Energy: 0.49841542598380756
Energy: 0.5103452916782293
Energy: 0.5113182094656273
Energy: 0.498485845658681
Energy: 0.5129631896138918
Energy: 0.5229888439378148

minimum gb energy = 0.49829648054881553 eV
minimum distance =  2.6011299684903 Angstroms
sigma value = 9


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

Energy: 0.8437679012016662
Energy: 0.6814314921999369
Energy: 0.5714150526062157
Energy: 0.5606495750283209
Energy: 0.8849753066675045
Energy: 0.5690286702072648
Energy: 0.5657988774770866
Energy: 0.5721435163345144
Energy: 0.5757659686216606
Energy: 0.5867581978463933
Energy: 0.5700960372155517
Energy: 0.5637853552143018
Energy: 0.5900024020423514
Energy: 0.567186230847994
Energy: 0.5697831380487766
Energy: 0.5880960840772212
Energy: 0.6193537352729324
Energy: 0.5658009346898065
Energy: 0.5614175579156072
Energy: 0.5638751313314779
Energy: 0.5627228846608716
Energy: 0.5621356136020281
Energy: 0.5681979585219725
Energy: 0.5625992779617383
Energy: 0.5732075759152423
Energy: 0.5681343471844111
Energy: 0.5620181223727
Energy: 0.572984889508867
Energy: 0.5689953660398428
Energy: 0.5695602414999268
Energy: 0.5598647014131957
Energy: 0.5650205970159373
Energy: 0.5607081122996131
Energy: 0.5607950909734895
Energy: 0.5622143763050047
Energy: 0.5601836420135483
Energy: 0.5613173529520302
Energy: 0.6100241780468116
Energy: 0.5628535203739806
Energy: 0.5614928981096076
Energy: 0.6620723392546181
Energy: 0.5613253125152486
Energy: 0.5597379513025913
Energy: 0.5631267995037148
Energy: 0.5607156573318172
Energy: 0.5605406346179885
Energy: 0.5512100834691324
Energy: 0.561074657493235
Energy: 0.5680528714138201
Energy: 0.5598467395700737
Energy: 0.5658094103885581
Energy: 0.5677654821970229
Energy: 0.5597020353310382
Energy: 0.5694024143766756
Energy: 0.5673226574299653
Energy: 0.5602576026043513
Energy: 0.572149319442378
Energy: 0.5696641409463333
Energy: 0.5598078873248125
Energy: 0.5633617375018882
Energy: 0.5600411602772489
Energy: 0.5621969773069625
Energy: 0.5599754549838123
Energy: 0.5606415279847645
Energy: 0.5631050304364417
Energy: 0.561811378651447
Energy: 0.569373502615576
Energy: 0.5732055998660689
Energy: 0.5707974007438898
Energy: 0.5703717080214297
Energy: 0.5716331508084633
Energy: 0.5763067409405828
Energy: 0.6651706168863003
Energy: 0.559235282960776
Energy: 0.5629722449816538
Energy: 0.664633587262292
Energy: 0.5594621161625902
Energy: 0.559241123007737
Energy: 0.585639111854246
Energy: 0.5809565136489324
Energy: 0.5680474627667619
Energy: 0.5855095776752992
Energy: 0.5869547201215577
Energy: 0.5626071468815714
Energy: 0.5683703998284275
Energy: 0.559925053279642
Energy: 0.5607221404996641
Energy: 0.5694961138080108
Energy: 0.5601898428765998
Energy: 0.567906309151042
Energy: 0.5676227228339981
Energy: 0.5626639447033783
Energy: 0.5589964968998713
Energy: 0.567216242781781
Energy: 0.5816250385865955
Energy: 0.5583612613842278
Energy: 0.5731918995198276
Energy: 0.5732576800816318
Energy: 0.5631309294628112
Energy: 0.5736020891771307
Energy: 0.5880815334286034
Energy: 0.5629634174472491
Energy: 0.6205539057279125
Energy: 0.571240509619679
Energy: 0.5672600225420602
Energy: 0.62027430651486
Energy: 0.5684953110136659
Energy: 0.5743929583173893
Energy: 0.5712501352821653
Energy: 0.5644568386663694
Energy: 0.5636815239651874
Energy: 0.5715229492988866
Energy: 0.5781236867961212
Energy: 0.563757562110287
Energy: 0.5863863386523098
Energy: 0.5716385290853402
Energy: 0.5633518336121522
Energy: 0.5870067349505371
Energy: 0.5838804303999514
Energy: 0.5633092450012535
Energy: 0.5504846965892796
Energy: 0.5763638923355232
Energy: 0.5741441193415211
Energy: 0.5504525168354224
Energy: 0.5691500505318465
Energy: 0.5744136852237212

minimum gb energy = 0.5504525168354224 eV
minimum distance =  2.56744307025333 Angstroms
sigma value = 27


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

Energy: 0.717499755981161
Energy: 0.6161944313566764
Energy: 0.6142805563647135
Energy: 0.705139509240196
Energy: 0.8412881820297647
Energy: 0.6150880141146697
Energy: 0.5734906945459831
Energy: 0.6041449934396786
Energy: 0.6050292958712578
Energy: 0.6367307520729133
Energy: 0.6136228187583329
Energy: 0.6150674595318029
Energy: 0.5921453785905326
Energy: 0.5951074588309537
Energy: 0.5988686815859197
Energy: 0.5931820884644823
Energy: 0.5584223765907858
Energy: 0.6124346040785864
Energy: 0.5847786351364136
Energy: 0.597756831558519
Energy: 0.5996361122028055
Energy: 0.5853092267115331
Energy: 0.6045440648974397
Energy: 0.6005759561825963
Energy: 0.5649754114173425
Energy: 0.613249702308194
Energy: 0.5940390269401333
Energy: 0.5654566223225757
Energy: 0.6092617107913303
Energy: 0.5918346899322361
Energy: 0.5835081620215455
Energy: 0.6011364034834006
Energy: 0.5977122627649563
Energy: 0.5841086352241406
Energy: 0.5951310822804411
Energy: 0.6054475333936566
Energy: 0.5953358244422543
Energy: 0.6187048603560839
Energy: 0.6123899758422608
Energy: 0.6259828860715854
Energy: 0.6164337271880098
Energy: 0.5952645157622451
Energy: 0.6197872656161022
Energy: 0.5780757940627619
Energy: 0.6048699967928426
Energy: 0.6115686978004946
Energy: 0.5648832921538446
Energy: 0.6071166477472427
Energy: 0.6073441324129827
Energy: 0.5886160477169827
Energy: 0.60298868176329
Energy: 0.597041309463341
Energy: 0.5888418989524897
Energy: 0.5982101775660523
Energy: 0.6005377183116951
Energy: 0.5627477926412248
Energy: 0.5850916539817393
Energy: 0.5921433004317334
Energy: 0.5606505618488816
Energy: 0.5771716607309603
Energy: 0.6121349388513321
Energy: 0.6022666756456355
Energy: 0.6049672813067326
Energy: 0.6120730219660105
Energy: 0.5573770546755671
Energy: 0.6053182600611238
Energy: 0.5388202698517033
Energy: 0.5616858650522762
Energy: 0.540879904522217
Energy: 0.5399380500399444
Energy: 0.563576277565786
Energy: 0.5391593936543744
Energy: 0.5411688976059148
Energy: 0.5435187596383744
Energy: 0.5387035095983338
Energy: 0.5400528667012247
Energy: 0.5461881205875475
Energy: 0.5400513979369631
Energy: 0.5579482755047969
Energy: 0.5530960096268187
Energy: 0.5605739219719302
Energy: 0.5501615686966931
Energy: 0.5733184254652062
Energy: 0.5609250800001334
Energy: 0.539089291364026
Energy: 0.5514778318971941
Energy: 0.5404320302743458
Energy: 0.5389810296478552
Energy: 0.5563363552738918
Energy: 0.5388137139982877
Energy: 0.5805485435212773
Energy: 0.5516989403658465
Energy: 0.5752893654443034
Energy: 0.5812082948364784
Energy: 0.552047047588207
Energy: 0.5751635347252421
Energy: 0.5604056194914517
Energy: 0.5730143849791209
Energy: 0.5706037684529893
Energy: 0.5608861900917734
Energy: 0.58172304483889
Energy: 0.5707488349180032
Energy: 0.5825781277581937
Energy: 0.5928081603602504
Energy: 0.5893039813012763
Energy: 0.5833092719742555
Energy: 0.5952405472521454
Energy: 0.5767462305272335
Energy: 0.5854184669429112
Energy: 0.6363618206519254
Energy: 0.5767850756730363
Energy: 0.5868434051211543
Energy: 0.551298656629443
Energy: 0.5754196133457316
Energy: 0.5934165102967933
Energy: 0.611296553771803
Energy: 0.5763271698600667
Energy: 0.5937056324761385
Energy: 0.5512717191970842
Energy: 0.6086672227878506
Energy: 0.6005446338889425
Energy: 0.5927760453005628
Energy: 0.597687812019427
Energy: 0.599857899183358
Energy: 0.596560212724065
Energy: 0.597703778266563
Energy: 0.5626302606834142
Energy: 0.6115600990867172
Energy: 0.6113730682882499
Energy: 0.5632294362479587
Energy: 0.6117073505090911
Energy: 0.597867165149066
Energy: 0.6072667382606481
Energy: 0.5901691235661654
Energy: 0.6044073133403678
Energy: 0.6081001548805512
Energy: 0.5912473632080211
Energy: 0.6099559737227032
Energy: 0.6339931892176113
Energy: 0.5873841012387857
Energy: 0.5978140759857289
Energy: 0.6346557422464869
Energy: 0.5896248759531629
Energy: 0.6001350317268747
Energy: 0.571958796499108
Energy: 0.5992583653616201
Energy: 0.6054184287443983
Energy: 0.5591009550426295
Energy: 0.5967958872020023
Energy: 0.5794223887107256

minimum gb energy = 0.5387035095983338 eV
minimum distance =  2.58147621508205 Angstroms
sigma value = 19


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

Energy: 0.8035470376326724
Energy: 0.6068773071562585
Energy: 0.6510290754662268
Energy: 0.5954463204881351
Energy: 0.6304705242732948
Energy: 0.6081639387035522
Energy: 0.6024519453219678
Energy: 0.5742780933193335
Energy: 0.5731195615793376
Energy: 0.6290510817914339
Energy: 0.5741211666819626
Energy: 0.5865268621386285
Energy: 0.5771541731759097
Energy: 0.5407109692184372
Energy: 0.5407741390140651
Energy: 0.5771929596795005
Energy: 0.5409444787006895
Energy: 0.590237164471729
Energy: 0.5732597139565465
Energy: 0.5865154439729459
Energy: 0.5869685456261644
Energy: 0.5726014148553723
Energy: 0.5745795894206193
Energy: 0.5865882875145092
Energy: 0.5475205194071067
Energy: 0.5773153581819701
Energy: 0.5770815170135785
Energy: 0.548595343888596
Energy: 0.5773576622992503
Energy: 0.5406906819071238
Energy: 0.5731532391052528
Energy: 0.5879800641566425
Energy: 0.5871227425723139
Energy: 0.5735250441115095
Energy: 0.6012492825641806
Energy: 0.5872090948130481
Energy: 0.5723763732343641
Energy: 0.6532304857008796
Energy: 0.5659224203413189
Energy: 0.615545329379687
Energy: 0.5671349548445164
Energy: 0.5739798659062522
Energy: 0.5732465643688394
Energy: 0.5819595163327776
Energy: 0.5868574094926582
Energy: 0.5739930791086534
Energy: 0.5766679130329767
Energy: 0.574787097951757
Energy: 0.5410788082396066
Energy: 0.57745268476469
Energy: 0.5807998120536872
Energy: 0.5409588594969862
Energy: 0.5773076344072011
Energy: 0.58608461176655
Energy: 0.5404276595358609
Energy: 0.5734087574839142
Energy: 0.5828885426224104
Energy: 0.5405867680486335
Energy: 0.5738591331648316
Energy: 0.58387653041218
Energy: 0.5670822157104567
Energy: 0.5315225867597702
Energy: 0.5316016779762273
Energy: 0.5671620152683068
Energy: 0.5339247232360161
Energy: 0.5714949548521742
Energy: 0.5917323430645345
Energy: 0.574225988707553
Energy: 0.5836400504062045
Energy: 0.5927127932684289
Energy: 0.5654779152753316
Energy: 0.5814461693132243
Energy: 0.6485944184427457
Energy: 0.5772580589787824
Energy: 0.5685990487175986
Energy: 0.5499306159543454
Energy: 0.5773302297557785
Energy: 0.5687881690091259
Energy: 0.5732211222272537
Energy: 0.5723117260384535
Energy: 0.5735784574227071
Energy: 0.5732079902386357
Energy: 0.5715934207019672
Energy: 0.5746829774130476
Energy: 0.5771212455301148
Energy: 0.5312810217485444
Energy: 0.5679671473514997
Energy: 0.5770840637940449
Energy: 0.5313237308928568
Energy: 0.5693651634127329
Energy: 0.5771998441779738
Energy: 0.5432738269102435
Energy: 0.5783859027198233
Energy: 0.5782400849034985
Energy: 0.5313601594318396
Energy: 0.5760592119549353
Energy: 0.6625098996185355
Energy: 0.5648603715348066
Energy: 0.5658542022441257
Energy: 0.6637183186732437
Energy: 0.5646952216850486
Energy: 0.5687075695607086
Energy: 0.5833346212146362
Energy: 0.5684739486979281
Energy: 0.5707596345072071
Energy: 0.5839868279673303
Energy: 0.5776287229915257
Energy: 0.5722212026811142
Energy: 0.5776139488626015
Energy: 0.5297596540916888
Energy: 0.5753634855775908
Energy: 0.5775880751153202
Energy: 0.5300205400638359
Energy: 0.5696720998874037
Energy: 0.5655652716254316
Energy: 0.5640292819674136
Energy: 0.5782108571144157
Energy: 0.566265933731975
Energy: 0.5303297201738384
Energy: 0.5698026018949189
Energy: 0.5347916264134699
Energy: 0.5767529792252328
Energy: 0.5706252381740169
Energy: 0.5357103793462302
Energy: 0.5773484466917684
Energy: 0.5748733250730623
Energy: 0.5427084040840616
Energy: 0.5848704787117597
Energy: 0.5799096264148197
Energy: 0.5431654475344794
Energy: 0.5936174800209431
Energy: 0.5764363634815447
Energy: 0.5701027666798261
Energy: 0.5274116906390154
Energy: 0.5713937716491975
Energy: 0.5701686159600805
Energy: 0.5273506547653174
Energy: 0.5679621006173554
Energy: 0.5734631273990641
Energy: 0.5619576405393372
Energy: 0.5700704356316604
Energy: 0.5734682845706778
Energy: 0.5274560616061567
Energy: 0.5683505102645889
Energy: 0.5833155799272018
Energy: 0.5782346854375329
Energy: 0.5794007732720815
Energy: 0.5865975489677524
Energy: 0.5921286213427736
Energy: 0.5790846688907625
Energy: 0.5624006636458331
Energy: 0.5670606889182896
Energy: 0.5703978568284988
Energy: 0.5393479439740908
Energy: 0.5671719636319985
Energy: 0.5748400685421698
Energy: 0.5737561285575699
Energy: 0.5413533072525006
Energy: 0.5897705921941874
Energy: 0.5748123201918237
Energy: 0.5404405192074061
Energy: 0.5742023376514571
Energy: 0.5738329253347261
Energy: 0.5404504040118351
Energy: 0.5816661873176949
Energy: 0.5738061555753975
Energy: 0.5565497211374684
Energy: 0.5826368775281892
Energy: 0.5947213106295143
Energy: 0.5729434750514276
Energy: 0.5743928147398529
Energy: 0.5655611885047342
Energy: 0.572836742395
Energy: 0.5683437585026438

minimum gb energy = 0.5273506547653174 eV
minimum distance =  2.56101348822661 Angstroms
sigma value = 101


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

Energy: 0.759879433800914
Energy: 0.5875058871069
Energy: 0.5882733158367609
Energy: 0.7610018363579306
Energy: 0.6124419618477139
Energy: 0.499325589338161
Energy: 0.5784361193192133
Energy: 0.5679641692659056
Energy: 0.573958546882397
Energy: 0.5864511975566157
Energy: 0.5634807195061862
Energy: 0.5719988244423371
Energy: 0.5722356083180751
Energy: 0.5100630279359735
Energy: 0.5100290958899096
Energy: 0.5720631899246803
Energy: 0.5111739845483911
Energy: 0.5567558445237726
Energy: 0.5628314637438232
Energy: 0.5727860113172002
Energy: 0.5731311145497722
Energy: 0.5635618671191731
Energy: 0.5656701424405931
Energy: 0.5725704488452642
Energy: 0.5184681818606716
Energy: 0.5724395641439779
Energy: 0.5703098003353384
Energy: 0.5198525500099109
Energy: 0.5731522380575714
Energy: 0.5180078114899991
Energy: 0.542766720105679
Energy: 0.5724047482916601
Energy: 0.5724695720236771
Energy: 0.5430223139837747
Energy: 0.5863278426796851
Energy: 0.5731494573084109
Energy: 0.5694910552255072
Energy: 0.5431600283256446
Energy: 0.5233254202277458
Energy: 0.5696378468552785
Energy: 0.54367140194889
Energy: 0.5339894317413644
Energy: 0.5622599593401353
Energy: 0.5718902919826583
Energy: 0.5726797951248448
Energy: 0.5629473003255735
Energy: 0.5656535471251987
Energy: 0.563422168179837
Energy: 0.5111059300938441
Energy: 0.5717882654111105
Energy: 0.5440339150647359
Energy: 0.5118439663715315
Energy: 0.5719384842974252
Energy: 0.5100813315468674
Energy: 0.509826261148199
Energy: 0.5729450374886753
Energy: 0.575464947412256
Energy: 0.5100883149011661
Energy: 0.573623055904018
Energy: 0.5758943607900807
Energy: 0.5621860050805856
Energy: 0.4975618111113526
Energy: 0.49767234851477843
Energy: 0.5623011081820838
Energy: 0.739400928621802
Energy: 0.5587380888995628
Energy: 0.572067256127524
Energy: 0.5749268905128465
Energy: 0.576896776100052
Energy: 0.572887411442612
Energy: 0.5513550744240096
Energy: 0.5744377975316011
Energy: 0.6105546219207413
Energy: 0.5719691469241792
Energy: 0.5725483635430453
Energy: 0.6115892339465182
Energy: 0.5730087088452223
Energy: 0.5700896018021886
Energy: 0.5465655235818665
Energy: 0.562404219971985
Energy: 0.5722542617776377
Energy: 0.5479974648002914
Energy: 0.5634931984288132
Energy: 0.5705546583501139
Energy: 0.5720628902717694
Energy: 0.5107221277608379
Energy: 0.5097431843351946
Energy: 0.5728795596574721
Energy: 0.511718335847176
Energy: 0.5661996184096855
Energy: 0.5862381092468018
Energy: 0.5219937476760966
Energy: 0.562479759943783
Energy: 0.5863239782810808
Energy: 0.5111959467144049
Energy: 0.5732898930925697
Energy: 0.696366836482003
Energy: 0.563035017273595
Energy: 0.5659093780294389
Energy: 0.6960105749213361
Energy: 0.5623406295018978
Energy: 0.5429509147440049
Energy: 0.5774217458723467
Energy: 0.5624190940643583
Energy: 0.5657943065316785
Energy: 0.5773936638472632
Energy: 0.5623414766738096
Energy: 0.572633951343777
Energy: 0.572226052392082
Energy: 0.509909149434954
Energy: 0.5102604794294364
Energy: 0.572251831128591
Energy: 0.509917722049311
Energy: 0.5701225393385851
Energy: 0.5617732036669381
Energy: 0.5104816917722848
Energy: 0.5727686060274044
Energy: 0.5625785413282147
Energy: 0.5098323314222819
Energy: 0.5738655485025045
Energy: 0.5200216939827167
Energy: 0.562548812356958
Energy: 0.5656370930354883
Energy: 0.5210706005102038
Energy: 0.5622597027425509
Energy: 0.5186294381113078
Energy: 0.5400356815384031
Energy: 0.5744902912668636
Energy: 0.5740598702539579
Energy: 0.5409616568216072
Energy: 0.5873333514186996
Energy: 0.5725640644332359
Energy: 0.5626482103320785
Energy: 0.546337178115393
Energy: 0.5465870783311729
Energy: 0.5625837695007041
Energy: 0.5478545833330708
Energy: 0.5664825183763892
Energy: 0.5632414910568608
Energy: 0.5730598074614974
Energy: 0.5703304605984839
Energy: 0.5635034041065711
Energy: 0.5476057326159854
Energy: 0.56595385276688
Energy: 0.5140671597922092
Energy: 0.5827990672029614
Energy: 0.5738320176827341
Energy: 0.5148449823957467
Energy: 0.5862400280807485
Energy: 0.5649454415315236
Energy: 0.5110502631495683
Energy: 0.5708814678327828
Energy: 0.5724424074471248
Energy: 0.5116708471138375
Energy: 0.574142092588824
Energy: 0.5757925772913531
Energy: 0.5635751563168188
Energy: 0.497423365215586
Energy: 0.5680346116145965
Energy: 0.562187912362292
Energy: 0.5007497510250082
Energy: 0.5665400243350633
Energy: 0.5743267023978509
Energy: 0.49793008531032557
Energy: 0.5693475251687543
Energy: 0.5723541215566571
Energy: 0.49752817360911705
Energy: 0.5698297953271343
Energy: 0.5470935928428277
Energy: 0.57233896970408
Energy: 0.5703450593845528
Energy: 0.5082726719426897
Energy: 0.5721294490079978
Energy: 0.5700393290407685
Energy: 0.546222351274209
Energy: 0.5618091445924543
Energy: 0.5639963012412971
Energy: 0.5087083618110526
Energy: 0.5632179666845616
Energy: 0.5701215323351693
Energy: 0.5732880870624629
Energy: 0.5098288296303323
Energy: 0.5107634606609794
Energy: 0.5742403629048928
Energy: 0.509624318324104
Energy: 0.5741489882678437
Energy: 0.5875197999253617
Energy: 0.5215641893571418
Energy: 0.5433117246051701
Energy: 0.5872855721087727
Energy: 0.521940538573591
Energy: 0.5646666393217249
Energy: 0.5701493274442208
Energy: 0.5623918166848189
Energy: 0.5681355886363195
Energy: 0.49680741663556954
Energy: 0.5622476465106173
Energy: 0.570732764679497

minimum gb energy = 0.49680741663556954 eV
minimum distance =  2.57004683384344 Angstroms
sigma value = 33


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

Energy: 0.01171330691107057
Energy: 0.012325840718184353
Energy: 0.012289733842163707
Energy: 0.013135545950357803
Energy: 0.5184182549925568
Energy: 0.012141973455432232
Energy: 0.013656796896962893
Energy: 0.06347888035175354
Energy: 0.062067148464454394
Energy: 0.06152985359777755
Energy: 0.061491945671796645
Energy: 0.061855889857804214
Energy: 0.6931378101812088
Energy: 0.5202839834350927
Energy: 0.5186782028533241
Energy: 0.5184210846335479
Energy: 0.5182229756381665
Energy: 0.5185087590492241
Energy: 0.23912011221887955
Energy: 0.06347888035208812
Energy: 0.06206714846410011
Energy: 0.06152985359777755
Energy: 0.06149194567215093
Energy: 0.061855889857804214

minimum gb energy = 0.01171330691107057 eV
minimum distance =  2.82277525827135 Angstroms
sigma value = 1