Model name: model_name=EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.090000152587891
cohesive_energy=2.8502240916688235
mass=107.8682
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.0063155127042e-20, 1.41939231271011e-19, 1.85921383139262e-19, 2.23405907668326e-19, 2.5508254189914e-19, 2.82200983606224e-19, 3.0565204299808196e-19, 3.2606857984514394e-19, 3.43984118966532e-19, 3.59948206947708e-19, 3.7441906630599593e-19, 3.8765464747947e-19, 3.9969340270734597e-19, 4.1048726669060393e-19, 4.2000740024983197e-19, 4.2827783603453994e-19, 4.353514458736499e-19, 4.41297123362424e-19, 4.46180557742856e-19, 4.500642339036719e-19, 4.53001023673794e-19, 4.5504219670551e-19, 4.562326139445719e-19, 4.5662034069e-19, 4.562053769417939e-19, 4.5486595727577e-19, 4.52443466205162e-19, 4.487087924713079e-19, 4.43227746206394e-19, 4.35353048050284e-19, 4.24341288044802e-19, 4.09365743046804e-19, 3.8948273101886394e-19, 3.6365724585541793e-19, 3.3076936608929996e-19, 2.89564587416088e-19, 2.3853205726991996e-19, 1.7581805728525798e-19, 9.903967015435379e-20, 5.08019769285354e-21, -1.0986189266403358e-19, -2.50086955154328e-19, -4.20476838003594e-19, -6.270839236644299e-19, -8.78332456878408e-19, -1.1864694758358239e-18, -1.56865909881672e-18, -2.05057780855758e-18, -2.6737123668191994e-18, -3.50346362380146e-18, -4.63532130689076e-18, -6.1684601497317e-18, -8.0498961710379e-18, -1.176797135496366e-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: -2.61527481303092e-08 eV

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

Energy: 0.008587169274488013
Energy: 0.2977131056542056
Energy: 0.008917114154792329
Energy: 0.00871682940635017
Energy: 0.29705931480967057
Energy: 0.008885490693487352
Energy: 0.2977131056530079
Energy: 0.06657583731768908
Energy: 0.06674226289485002
Energy: 0.06668967125335482
Energy: 0.06659112706123964
Energy: 0.06713740215332165
Energy: 0.00891711415382596
Energy: 0.06674226289532639
Energy: 0.0666949181376949
Energy: 0.008949394390495283
Energy: 0.06658618462326103
Energy: 0.0672039687956832
Energy: 0.00871682940635017
Energy: 0.06668967125335482
Energy: 0.008949394390263899
Energy: 0.008736355264519543
Energy: 0.06659558703817973
Energy: 0.008905004646011943
Energy: 0.2970593148091942
Energy: 0.06659112706053189
Energy: 0.06658618462063413
Energy: 0.06659558703817973
Energy: 0.06665348962591369
Energy: 0.06658391817459601
Energy: 0.008885490693242355
Energy: 0.0671374021523689
Energy: 0.06720396879639096
Energy: 0.008905004646011943
Energy: 0.06658391817341187
Energy: 0.008911411228253964

minimum gb energy = 0.008587169274488013 eV
minimum distance =  2.88772617573673 Angstroms
sigma value = 1


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

Energy: 0.8558886316631807
Energy: 0.8333575553002283
Energy: 0.578744232675172
Energy: 0.5183038410806025
Energy: 0.8253103872393994
Energy: 0.5780653517075217
Energy: 0.7782025610064657
Energy: 0.5407121228099917
Energy: 0.5363350856577719
Energy: 0.5294697953375572
Energy: 0.5496321786976214
Energy: 0.5424870583475387
Energy: 0.7790755977611297
Energy: 0.5502619867374454
Energy: 0.5501546342212954
Energy: 0.5489110379593108
Energy: 0.5424653477738602
Energy: 0.537361118652006
Energy: 0.8610481767438801
Energy: 0.5379208012065506
Energy: 0.5420001389936213
Energy: 0.5365699580958665
Energy: 0.5379401156930076
Energy: 0.5422968909949265
Energy: 0.792435046040415
Energy: 0.5437344093276851
Energy: 0.5422766528142633
Energy: 0.5308600882036808
Energy: 0.507252561858077
Energy: 0.541527306473904
Energy: 0.7766599416165256
Energy: 0.5514994041493396
Energy: 0.5524469995500702
Energy: 0.5319661969264199
Energy: 0.5076082060964291
Energy: 0.5480618694845176
Energy: 0.7780853064033598
Energy: 0.5125184222922795
Energy: 0.5491669709351279
Energy: 0.5315069917329088
Energy: 0.5125210603038611
Energy: 0.5481674737966885
Energy: 0.7508784661715675
Energy: 0.548285059066183
Energy: 0.5486891834352627
Energy: 0.5081570532641039
Energy: 0.5339186109919477
Energy: 0.5062813724177931
Energy: 0.6291449237249729
Energy: 0.5313924123517783
Energy: 0.531452230953075
Energy: 0.5505205059766168
Energy: 0.5400519856256247
Energy: 0.5525144419451277
Energy: 0.6254664403971439
Energy: 0.5421463349262042
Energy: 0.5420633398385506
Energy: 0.5070247636427997
Energy: 0.5318703562113775
Energy: 0.5429159996179928
Energy: 0.6204225627722617
Energy: 0.5342010801041384
Energy: 0.5350418891535205
Energy: 0.5628297541130171
Energy: 0.5337309941014367
Energy: 0.5437240941800396
Energy: 0.5623934393807738
Energy: 0.5441716448725108
Energy: 0.5391545706632699
Energy: 0.5627409832325068
Energy: 0.5481084537977041
Energy: 0.5359839918728798
Energy: 0.5610604313187938
Energy: 0.5328747442023801
Energy: 0.5324853914757854
Energy: 0.5499194232972187
Energy: 0.5504110827280949
Energy: 0.5445179548941099
Energy: 0.6071940998786416
Energy: 0.5426638640892935
Energy: 0.5417257312261594
Energy: 0.5484081252541234
Energy: 0.5359298018002943
Energy: 0.5383008547059316
Energy: 0.5821596522565157
Energy: 0.5311678221073348
Energy: 0.5411560726727045
Energy: 0.5537312489968294
Energy: 0.52147000021992
Energy: 0.5354171692359141
Energy: 0.5828055089524377
Energy: 0.5347366081505603
Energy: 0.5338454221188919
Energy: 0.558687794404964
Energy: 0.5499852305170917
Energy: 0.5448853215623186
Energy: 0.7238469018737558
Energy: 0.5364107095486674
Energy: 0.5478540551684888
Energy: 0.5363269846787123
Energy: 0.533824984844258
Energy: 0.5460157944317678
Energy: 0.7000872879913425
Energy: 0.500733045302039
Energy: 0.5499759998692507
Energy: 0.5427564058174089
Energy: 0.5016781302215747
Energy: 0.55010917854542
Energy: 0.7007924452145692
Energy: 0.5504819198252465
Energy: 0.5505216228862797
Energy: 0.5339076746939326
Energy: 0.500301455754384
Energy: 0.5500344039650967
Energy: 0.7472212796763358
Energy: 0.5514170751212817
Energy: 0.5506217796108385
Energy: 0.5328355731280559
Energy: 0.5002341455111305
Energy: 0.5499162494196632
Energy: 0.8102658829800118
Energy: 0.5428210415449195
Energy: 0.5373416332455174
Energy: 0.5323954926578968
Energy: 0.5428200826277203
Energy: 0.5351131044006864
Energy: 0.8142437186322752
Energy: 0.5528888955826192
Energy: 0.5462877054806647
Energy: 0.5479544794904762
Energy: 0.5594704333862799
Energy: 0.5384019034435875
Energy: 0.8029423150330289
Energy: 0.5396588629498027
Energy: 0.5358515924371449
Energy: 0.5411652524657903
Energy: 0.5520438372123556
Energy: 0.5428431984515503

minimum gb energy = 0.5002341455111305 eV
minimum distance =  2.7088987807935 Angstroms
sigma value = 33


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

Energy: 0.9391648778912038
Energy: 0.5561508496727952
Energy: 0.5731930106287942
Energy: 0.5744925671397272
Energy: 0.5643092078294496
Energy: 0.5726933143792395
Energy: 0.7258057636069943
Energy: 0.5634870607959883
Energy: 0.5635108895416902
Energy: 0.5580845474130882
Energy: 0.5638972167176861
Energy: 0.554769504488848
Energy: 0.7215341097021379
Energy: 0.564005013705342
Energy: 0.5640158218204627
Energy: 0.5547703343839308
Energy: 0.5639105484118222
Energy: 0.5557263238664141
Energy: 0.7741387268969315
Energy: 0.5640874221856064
Energy: 0.5538293813193341
Energy: 0.5585737534288572
Energy: 0.5639167907033048
Energy: 0.5585349120983923
Energy: 0.722694243253038
Energy: 0.5711654000986125
Energy: 0.5721403229584575
Energy: 0.5298794425783069
Energy: 0.5496003501386915
Energy: 0.5558123687787934
Energy: 0.7773210244864309
Energy: 0.5702265301275019
Energy: 0.5727795148285805
Energy: 0.5487690602227892
Energy: 0.5703222058998842
Energy: 0.5609155696513461
Energy: 0.7766453121563907
Energy: 0.5616879605897463
Energy: 0.561369652355706
Energy: 0.560241231946363
Energy: 0.5399625361179035
Energy: 0.560259772141468
Energy: 0.7230159001119607
Energy: 0.5661996175187441
Energy: 0.5670518565673861
Energy: 0.5625323384317982
Energy: 0.5660750411478264
Energy: 0.5664492858032588
Energy: 0.6159512319687973
Energy: 0.568356169643944
Energy: 0.5570274259338722
Energy: 0.5704602338254924
Energy: 0.5295624547775545
Energy: 0.5722574618743428
Energy: 0.614779305099074
Energy: 0.5690031412880177
Energy: 0.5679271595539652
Energy: 0.5493635313618768
Energy: 0.554954756766822
Energy: 0.5551831064070815
Energy: 0.6196775683631869
Energy: 0.5379727185972552
Energy: 0.5375352506971254
Energy: 0.6202663862958425
Energy: 0.537967435866632
Energy: 0.5375339687208134
Energy: 0.5664873376188972
Energy: 0.5667928302768483
Energy: 0.5554464798335839
Energy: 0.5645092729862561
Energy: 0.5661284545819466
Energy: 0.5709687673139119
Energy: 0.5663161220604291
Energy: 0.5536392772170374
Energy: 0.5697316557478579
Energy: 0.5640366353424554
Energy: 0.5723584647860946
Energy: 0.54890936294487
Energy: 0.5716759278010912
Energy: 0.5591372837386046
Energy: 0.5587826422590443
Energy: 0.5703482028153929
Energy: 0.5589699202749743
Energy: 0.5585612927111259
Energy: 0.6147727032183052
Energy: 0.568504239793565
Energy: 0.5680707129170093
Energy: 0.5498281099720678
Energy: 0.555438158499549
Energy: 0.5550517251941285
Energy: 0.6169955646491272
Energy: 0.5495186299223802
Energy: 0.5603191011867362
Energy: 0.5702661395063381
Energy: 0.5476911858401918
Energy: 0.5609422413645524
Energy: 0.7257568671760527
Energy: 0.5600623332507438
Energy: 0.5601702042417857
Energy: 0.5394411447191195
Energy: 0.5602350008217074
Energy: 0.5617385407938263
Energy: 0.6768464433758827
Energy: 0.5614106054741025
Energy: 0.5577925903933123
Energy: 0.5663735356272633
Energy: 0.5500103172566859
Energy: 0.5658645826528093
Energy: 0.669995514563891
Energy: 0.5695901295021525
Energy: 0.5709223976502641
Energy: 0.5676359878113344
Energy: 0.5699682558225753
Energy: 0.5570706662121981
Energy: 0.7226985482498307
Energy: 0.5711641956522696
Energy: 0.572229533737587
Energy: 0.5306872340325456
Energy: 0.5711059828196664
Energy: 0.5679450537175105
Energy: 0.8773850468135912
Energy: 0.560365862908069
Energy: 0.5372812124126033
Energy: 0.5380120631301177
Energy: 0.5536946680001499
Energy: 0.53737443433438
Energy: 0.6713830346293983
Energy: 0.5640320321357618
Energy: 0.5490772804957045
Energy: 0.5662861330708642
Energy: 0.5642159185497433
Energy: 0.5627240864232425
Energy: 0.725091211982995
Energy: 0.5633031727038708
Energy: 0.5636794833631616
Energy: 0.5696031839530397
Energy: 0.5643871048535537
Energy: 0.5553499678146891
Energy: 0.8033461916982646
Energy: 0.5608593576125127
Energy: 0.5552052175727866
Energy: 0.5583959073442097
Energy: 0.5714517759552249
Energy: 0.5722386075792968
Energy: 0.7245178385379589
Energy: 0.5486935717889582
Energy: 0.5527909307641253
Energy: 0.5696858731119273
Energy: 0.5492176207607838
Energy: 0.5691766285505543
Energy: 0.7231182664830099
Energy: 0.5700002030157875
Energy: 0.5719424331919162
Energy: 0.557307573062138
Energy: 0.570064063079968
Energy: 0.56179403801149
Energy: 0.7752442446598925
Energy: 0.539383836517582
Energy: 0.5607761585390798
Energy: 0.5608848533869825
Energy: 0.5398857373155144
Energy: 0.5605663998938967
Energy: 0.7234937581159017
Energy: 0.5683078358376865
Energy: 0.5661925686116159
Energy: 0.5604786578494942
Energy: 0.567458174001965
Energy: 0.5579929871933829
Energy: 0.6168273319877984
Energy: 0.5665100396868741
Energy: 0.5661230829312781
Energy: 0.5709283012627594
Energy: 0.5671217696211289
Energy: 0.5714622393467628
Energy: 0.6164692573730411
Energy: 0.5687266623343472
Energy: 0.5673877970873815
Energy: 0.5707715281351562
Energy: 0.5312337740376347
Energy: 0.5757795578040249
Energy: 0.6208757276994822
Energy: 0.5374326864819796
Energy: 0.5373687413492237
Energy: 0.5538706904618886
Energy: 0.5374992757346343
Energy: 0.5373385420877317
Energy: 0.5636380664660152
Energy: 0.5509303870034875
Energy: 0.5327415063604126
Energy: 0.5635844571894798
Energy: 0.5669566684865591
Energy: 0.5605946931978478
Energy: 0.5644990314921381
Energy: 0.5685288014513167
Energy: 0.5687210444902001
Energy: 0.5647293658866133
Energy: 0.5560285077301999
Energy: 0.548670525581122
Energy: 0.5640356700035826
Energy: 0.5587384566562498
Energy: 0.5585753952355133
Energy: 0.5641045129472473
Energy: 0.5588377672088056
Energy: 0.5587892003386367
Energy: 0.6148375871048759
Energy: 0.5540627075597674
Energy: 0.569361015646238
Energy: 0.5489706841062757
Energy: 0.570059381795169
Energy: 0.5552327935116966
Energy: 0.6143296730609457
Energy: 0.5487367632635968
Energy: 0.5583141123436431
Energy: 0.5710185551953653
Energy: 0.5569730244302794
Energy: 0.5722609307024447
Energy: 0.615215239416204
Energy: 0.5606614290499895
Energy: 0.5607355832181918
Energy: 0.538516278635684
Energy: 0.5610710411064418
Energy: 0.5607853482449948
Energy: 0.6698144215170609
Energy: 0.5575399971234973
Energy: 0.5576444601354031
Energy: 0.5286240865684093
Energy: 0.5574180149800808
Energy: 0.571660369809714
Energy: 0.6750338550302072
Energy: 0.5714834709646734
Energy: 0.5717792526573414
Energy: 0.5658705923722851
Energy: 0.571213383608135
Energy: 0.566225489087364
Energy: 0.7227098049745179
Energy: 0.5696652558558253
Energy: 0.5710788148076842
Energy: 0.5531837243130923
Energy: 0.5703291521344305
Energy: 0.5684533519153799
Energy: 0.8749375372559053
Energy: 0.553554202605149
Energy: 0.5371466545063598
Energy: 0.5378182119311884
Energy: 0.5535991491655796
Energy: 0.5373509058931465

minimum gb energy = 0.5286240865684093 eV
minimum distance =  2.74827492516276 Angstroms
sigma value = 51


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

Energy: 0.8929140346743721
Energy: 0.5657176266324234
Energy: 0.5563215755044278
Energy: 0.5439004065475102
Energy: 0.5660587683573886
Energy: 0.5940725313300128
Energy: 0.6818033041285959
Energy: 0.5770285131043351
Energy: 0.5660270818968158
Energy: 0.5367309035507072
Energy: 0.5769323723348195
Energy: 0.5804243627843041
Energy: 0.8089384787757062
Energy: 0.5771425326079749
Energy: 0.5653926368880214
Energy: 0.5554592551167127
Energy: 0.577399511453973
Energy: 0.55760260560373
Energy: 0.8017197285164034
Energy: 0.5540890751052919
Energy: 0.5540720638668712
Energy: 0.5437248748720518
Energy: 0.553469120916902
Energy: 0.5589733128503451
Energy: 0.6818507505730544
Energy: 0.5728542659009669
Energy: 0.582799205405793
Energy: 0.5360781287107464
Energy: 0.5359861094478523
Energy: 0.5369355946396027
Energy: 0.681484374156191
Energy: 0.582463268324771
Energy: 0.5823314019593112
Energy: 0.5715444795565235
Energy: 0.5825196360039695
Energy: 0.582241821149432
Energy: 0.6813842606736135
Energy: 0.5369615227537903
Energy: 0.5373094476085853
Energy: 0.5714884807468651
Energy: 0.5366965521590695
Energy: 0.5817990340023652
Energy: 0.6730569370959121
Energy: 0.5513843349199263
Energy: 0.5584638720602071
Energy: 0.5535973381681004
Energy: 0.5072645437710572
Energy: 0.5588124655142922
Energy: 0.5776294703142295
Energy: 0.560538199268706
Energy: 0.5600472613501013
Energy: 0.5775888557172988
Energy: 0.5600829492007372
Energy: 0.58338350935832
Energy: 0.5770497277110279
Energy: 0.5559354630048988
Energy: 0.5514071267724575
Energy: 0.5770500047479216
Energy: 0.5375449251608636
Energy: 0.5676034604624631
Energy: 0.585633997327163
Energy: 0.5525510640812855
Energy: 0.5565972261175791
Energy: 0.5592127732952723
Energy: 0.5367713508542973
Energy: 0.5579730738818335
Energy: 0.6044794009489742
Energy: 0.5366753915061061
Energy: 0.5754453613969344
Energy: 0.5653517168304413
Energy: 0.5468861646736005
Energy: 0.5714166728611693
Energy: 0.603755018732485
Energy: 0.5705746223864837
Energy: 0.5746896066133578
Energy: 0.5831165398650512
Energy: 0.5627040106549372
Energy: 0.5835949336669034
Energy: 0.604510833118342
Energy: 0.5583764730689704
Energy: 0.5444198523887046
Energy: 0.5658570334250396
Energy: 0.5583047713528847
Energy: 0.5448067688381172
Energy: 0.7270398822284698
Energy: 0.5495840846789141
Energy: 0.5611878435204142
Energy: 0.5702362001757606
Energy: 0.5497381961265861
Energy: 0.560650673917313
Energy: 0.730284989225615
Energy: 0.5666361145729965
Energy: 0.5666513302319158
Energy: 0.5701911473548361
Energy: 0.5662941490779304
Energy: 0.5515905098560514
Energy: 0.7374278914529715
Energy: 0.5838266126688593
Energy: 0.566745148240769
Energy: 0.5360227808120344
Energy: 0.5841349641679665
Energy: 0.5657899215294272
Energy: 0.8733006210944793
Energy: 0.5655012574269945
Energy: 0.5516986466457527
Energy: 0.5059838741778071
Energy: 0.5653142543095274
Energy: 0.5612133445838835

minimum gb energy = 0.5059838741778071 eV
minimum distance =  2.7200007081874 Angstroms
sigma value = 19


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

Energy: 0.8682607835403424
Energy: 0.5388905537089744
Energy: 0.5282666600068788
Energy: 0.6086224543728683
Energy: 0.5415390883707418
Energy: 0.6133249899962904
Energy: 0.6262883884016514
Energy: 0.5630392697094431
Energy: 0.5466886419162805
Energy: 0.5560572604468945
Energy: 0.5635445601403314
Energy: 0.5471205473468538
Energy: 0.6390710470349463
Energy: 0.5527772476458119
Energy: 0.56529047285951
Energy: 0.5729831869127303
Energy: 0.5544994155595115
Energy: 0.5631002898614358
Energy: 0.7089785261883136
Energy: 0.6156000974865438
Energy: 0.620309197676944
Energy: 0.6222244966783583
Energy: 0.6154149755794893
Energy: 0.6195255481332034
Energy: 0.6636091303608257
Energy: 0.5647139211515708
Energy: 0.5717636216933942
Energy: 0.535579040251493
Energy: 0.6155942954343759
Energy: 0.5700173925980326
Energy: 0.6416790749512575
Energy: 0.5909285596925402
Energy: 0.6414245820035016
Energy: 0.6367308803006314
Energy: 0.5909394340566504
Energy: 0.6410585203339806
Energy: 0.737670459480333
Energy: 0.5986179061298409
Energy: 0.6366210992285314
Energy: 0.6311838380962426
Energy: 0.5986348862859473
Energy: 0.6358245283348916
Energy: 0.6803557950924753
Energy: 0.5597800539576507
Energy: 0.559576267795011
Energy: 0.6449021233951797
Energy: 0.5226573312641769
Energy: 0.5237699510802025
Energy: 0.6191989467369728
Energy: 0.5595263481164735
Energy: 0.5558014982021334
Energy: 0.6073626647407281
Energy: 0.5247834873479048
Energy: 0.5188549206618559
Energy: 0.6076957998651982
Energy: 0.6239207718294418
Energy: 0.6071383510260627
Energy: 0.6070372678927807
Energy: 0.6283387648044988
Energy: 0.6208338987255406
Energy: 0.6067634237230816
Energy: 0.6436189417125706
Energy: 0.6227290495380214
Energy: 0.6072393684928664
Energy: 0.623495823430186
Energy: 0.6210837621748647
Energy: 0.610241596002716
Energy: 0.6305773674917199
Energy: 0.6269673943830696
Energy: 0.6295401431291812
Energy: 0.6412838231811766
Energy: 0.6267354629492483
Energy: 0.5908339135715749
Energy: 0.6934917248498158
Energy: 0.692390661516511
Energy: 0.5924001742141992
Energy: 0.6980516857856458
Energy: 0.6932942776384523
Energy: 0.6842526062394662
Energy: 0.6936715606903823
Energy: 0.6934739433089111
Energy: 0.6171303019050031
Energy: 0.6941274518489869
Energy: 0.6934399378349163
Energy: 0.7603003467576399
Energy: 0.6755388089896355
Energy: 0.6749788398565677
Energy: 0.5319808688772203
Energy: 0.6750463284214266
Energy: 0.5190547680277378
Energy: 0.7595900947800751
Energy: 0.6144220041397336
Energy: 0.5198889882629806
Energy: 0.5196317829345439
Energy: 0.6997321445852251
Energy: 0.5245693174788251
Energy: 0.670847903016598
Energy: 0.6750551945875696
Energy: 0.675250673981827
Energy: 0.6234953023646798
Energy: 0.6744359040318367
Energy: 0.6747551479334545
Energy: 0.707279748813685
Energy: 0.6752275590123088
Energy: 0.6748745962799911
Energy: 0.6221807437059581
Energy: 0.6752320450718275
Energy: 0.6773970087039836
Energy: 0.7074557168693855
Energy: 0.6104417936199575
Energy: 0.6107523448383146
Energy: 0.6221526311740107
Energy: 0.6092115215495975
Energy: 0.610793688747321
Energy: 0.6338670163915605
Energy: 0.591065148924655
Energy: 0.6320782089507009
Energy: 0.6996979049174314
Energy: 0.5909389246854341
Energy: 0.6997262230945549
Energy: 0.7184160185120342
Energy: 0.6315753962901248
Energy: 0.6316617665276324
Energy: 0.6356465310332204
Energy: 0.6998626721618056
Energy: 0.6356698245213573
Energy: 0.7186753308925093
Energy: 0.6312307273175018
Energy: 0.6264529897467248
Energy: 0.606879295115913
Energy: 0.6208735329563705
Energy: 0.6274254886562086
Energy: 0.6244438695172521
Energy: 0.5193705729576472
Energy: 0.5194960770544221
Energy: 0.6246904644313168
Energy: 0.5523906234259292
Energy: 0.5529923601818253
Energy: 0.6246687033450702
Energy: 0.6248822071358863
Energy: 0.6081900016986663
Energy: 0.6246349445703632
Energy: 0.5952112485555917
Energy: 0.6029984203080613
Energy: 0.6244411901011372
Energy: 0.6311636810426703
Energy: 0.6291300185550276
Energy: 0.62449005593962
Energy: 0.5726022333481864
Energy: 0.637914890150279
Energy: 0.68049309959211
Energy: 0.6225681764350279
Energy: 0.6232754630116808
Energy: 0.5437126845526429
Energy: 0.6223596675906078
Energy: 0.539944258972595
Energy: 0.6403262114046758
Energy: 0.6393625146814191
Energy: 0.5652991643953448
Energy: 0.5465781147843791
Energy: 0.6342882417041276
Energy: 0.6346054741300199
Energy: 0.5909054791990485
Energy: 0.58153501054583
Energy: 0.5681629576929788
Energy: 0.5909774925485918
Energy: 0.5616917723832647
Energy: 0.5766656684869294
Energy: 0.5536362759225057
Energy: 0.5819958935463306
Energy: 0.5652610913832551
Energy: 0.5375153452236229
Energy: 0.5820974709974954
Energy: 0.5745319362441219
Energy: 0.5822213646520538
Energy: 0.5634818103450845
Energy: 0.5191293193990872
Energy: 0.5195264885731051
Energy: 0.5528035347102286
Energy: 0.5966335305050844

minimum gb energy = 0.5188549206618559 eV
minimum distance =  2.69783061213612 Angstroms
sigma value = 27


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

Energy: 0.6479299211682643
Energy: 0.5429081538680616
Energy: 0.568121607875722
Energy: 0.5446712524687488
Energy: 0.5431225044621432
Energy: 0.6397633692395088
Energy: 0.6317048176285026
Energy: 0.5415278565007292
Energy: 0.4990380205844766
Energy: 0.5046793419865921
Energy: 0.5414801213145254
Energy: 0.46946255221073957
Energy: 0.5803090368064899
Energy: 0.5410326566693395
Energy: 0.5484969600328011
Energy: 0.46979800737618516
Energy: 0.5414920185897434
Energy: 0.5009272587817438
Energy: 0.5806744920255231
Energy: 0.46935041744181194
Energy: 0.46967810126143816
Energy: 0.4953924329232255
Energy: 0.5392951150888866
Energy: 0.4688412568608526
Energy: 0.6313960772882361
Energy: 0.47144190935879793
Energy: 0.4693885257690568
Energy: 0.5112924805344735
Energy: 0.49549717033815543
Energy: 0.470197228358522
Energy: 0.5407485877299422
Energy: 0.49697215755397867
Energy: 0.47097689223780337
Energy: 0.540851779997563
Energy: 0.49912177924758355
Energy: 0.47056325667100884
Energy: 0.5431886695919568
Energy: 0.5019657132130584
Energy: 0.49415732419122443
Energy: 0.5420560587533986
Energy: 0.5028147348869991
Energy: 0.5005676470627552
Energy: 0.5427156614080213
Energy: 0.4913136899942586
Energy: 0.49152079746782534
Energy: 0.5424711415728901
Energy: 0.4917956486620622
Energy: 0.49131842810438253
Energy: 0.579702262121192
Energy: 0.46883354218005235
Energy: 0.4699763446558198
Energy: 0.5421033580145906
Energy: 0.5084249208281357
Energy: 0.49872214200053044
Energy: 0.5817464504660111
Energy: 0.4941920057457634
Energy: 0.49378014892230443
Energy: 0.5365281787654282
Energy: 0.4951465738626173
Energy: 0.49917950722244586
Energy: 0.579934435967303
Energy: 0.5360196836829277
Energy: 0.4993156796512278
Energy: 0.500428908012948
Energy: 0.5361321709000445
Energy: 0.5343077973966992
Energy: 0.5798706244743592
Energy: 0.49910678636494493
Energy: 0.4987590987979101
Energy: 0.5031666993980053
Energy: 0.5421142192108986
Energy: 0.4693993331081307

minimum gb energy = 0.46883354218005235 eV
minimum distance =  2.75492864396041 Angstroms
sigma value = 9


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

Energy: 1.0458362875725988
Energy: 0.4988528460954711
Energy: 0.49504579044737773
Energy: 0.4473906015782935
Energy: 0.4987608366613237
Energy: 0.4612574130025538
Energy: 0.5196479297575547
Energy: 0.46769076102264945
Energy: 0.43917739555644747
Energy: 0.4529341904867192
Energy: 0.46750767387451053
Energy: 0.4556259967171913
Energy: 0.4926660068029282
Energy: 0.4699749144444251
Energy: 0.4658291180981284
Energy: 0.4642643319560511
Energy: 0.468471316575066
Energy: 0.46751886714714036
Energy: 0.49490032899738357
Energy: 0.4397420365154493
Energy: 0.43202028978402296
Energy: 0.45963236741945435
Energy: 0.4658280655434754
Energy: 0.43194285986101894
Energy: 0.5181517249469335
Energy: 0.44393816259543484
Energy: 0.43111062660375604
Energy: 0.4662673323114119
Energy: 0.44371196159433496
Energy: 0.45758353667337615
Energy: 0.47376301768716467
Energy: 0.45075111110513283
Energy: 0.4579448975879802
Energy: 0.47422899178382955
Energy: 0.45114154685070995
Energy: 0.4427208128403277
Energy: 0.4739555685206964
Energy: 0.43240635382647774
Energy: 0.43221587922907656
Energy: 0.47480073526860306
Energy: 0.4458706775470712
Energy: 0.4753774164022219
Energy: 0.49005963316917633
Energy: 0.45548131202040953
Energy: 0.43505691751373665
Energy: 0.47285757040522214
Energy: 0.4589211598379147
Energy: 0.45291533070034845
Energy: 0.4793437201406936
Energy: 0.4494174391804811
Energy: 0.45840377803839644
Energy: 0.4638869415518754
Energy: 0.4605556291628888
Energy: 0.45763890304964994
Energy: 0.4549750970945657
Energy: 0.4441167558788053
Energy: 0.4321350266138281
Energy: 0.4498938520228601
Energy: 0.4614674903457586
Energy: 0.4302484044982494
Energy: 0.4504442490726049
Energy: 0.4742447941189044
Energy: 0.4762106205536951
Energy: 0.45481778310503806
Energy: 0.47394768760915457
Energy: 0.4708993506213929
Energy: 0.480011429935716
Energy: 0.474410366130612
Energy: 0.4585459059943677
Energy: 0.44381905850979725
Energy: 0.47441564537485875
Energy: 0.4323842312479287
Energy: 0.9131177968757467
Energy: 0.5460703491966017
Energy: 0.4395802380546906
Energy: 0.43535230782856915
Energy: 0.48016690945110274
Energy: 0.45339238052685604
Energy: 0.5276888825434731
Energy: 0.45145309119397475
Energy: 0.457259933104663
Energy: 0.44287383865582786
Energy: 0.4750146652418504
Energy: 0.4334435430652737
Energy: 0.4707531730423527
Energy: 0.46335985000770624
Energy: 0.4630676362013372
Energy: 0.4680375835127472
Energy: 0.4650887011057384
Energy: 0.4584253534754309
Energy: 0.468304420841325
Energy: 0.45182191919614845
Energy: 0.4653601631899147
Energy: 0.4691945134591342
Energy: 0.4624540231586166
Energy: 0.46659854868794964
Energy: 0.46709853442031896
Energy: 0.431597865086208
Energy: 0.4317572079801297
Energy: 0.467114541454393
Energy: 0.4392493998604616
Energy: 0.44972510510288277
Energy: 0.49243563315142364
Energy: 0.4322526339842537
Energy: 0.4554081722011497
Energy: 0.46759627696370903
Energy: 0.45229456946558905
Energy: 0.44076137463035936
Energy: 0.493128284937933
Energy: 0.4504418987889415
Energy: 0.4531871452973626
Energy: 0.468302656892268
Energy: 0.45646455304927536
Energy: 0.4472270560005389
Energy: 0.49268944265364806
Energy: 0.4616660056370522
Energy: 0.4525562376736825
Energy: 0.46090910950963665
Energy: 0.461013480172157
Energy: 0.4538864560176154
Energy: 0.4925891224298985
Energy: 0.46780683958679137
Energy: 0.46030019218107787
Energy: 0.46787753987152453
Energy: 0.4667806253484495
Energy: 0.44722797167753875
Energy: 0.5264031512899949
Energy: 0.4571126453704874
Energy: 0.4786052362648836
Energy: 0.4452204481658694
Energy: 0.46691734728858225
Energy: 0.4320522681730383
Energy: 0.5325951937489918
Energy: 0.4672711711072872
Energy: 0.44148827197140433
Energy: 0.4444765329948471
Energy: 0.4669426230351389
Energy: 0.42979673510568284
Energy: 0.4926466883300206
Energy: 0.4696863233087628
Energy: 0.46680282543477186
Energy: 0.4687859792898562
Energy: 0.4685413263863209
Energy: 0.4551297554682105
Energy: 0.6567022892700326
Energy: 0.4396401737898224
Energy: 0.4542118499747527
Energy: 0.462106917632718
Energy: 0.46745747161221707
Energy: 0.45694440998959013
Energy: 0.49253356975356455
Energy: 0.4398317051431782
Energy: 0.432284135124647
Energy: 0.46802637383859363
Energy: 0.44022166115979844
Energy: 0.45722283507378886
Energy: 0.4457156518978238
Energy: 0.4394770139980368
Energy: 0.45812180102938155
Energy: 0.44584042261522644
Energy: 0.4391328389148823
Energy: 0.45171582343420813
Energy: 0.47427858306707427
Energy: 0.43220302036850555
Energy: 0.43206388921961636
Energy: 0.47439472135562727
Energy: 0.44014154074539485
Energy: 0.47653257212919065
Energy: 0.47425453100301435
Energy: 0.443426364932038
Energy: 0.45779345107517777
Energy: 0.4742492517889104
Energy: 0.44932049882619957
Energy: 0.4550355522560685
Energy: 0.48000947963741836
Energy: 0.45248228263431467
Energy: 0.43634774064968235
Energy: 0.470627502576304
Energy: 0.4584007620480566
Energy: 0.43220553339693735
Energy: 0.4504877865297397
Energy: 0.4395518472703454
Energy: 0.45616928455626843
Energy: 0.45348474748894113
Energy: 0.44957454502073974
Energy: 0.432411987361988
Energy: 0.454122505567361
Energy: 0.47364875712462395
Energy: 0.4528628714095465
Energy: 0.45052459958289515
Energy: 0.4735052174725132
Energy: 0.430268399125244
Energy: 0.49119138164970944
Energy: 0.4746351392434042
Energy: 0.45853702256935847
Energy: 0.46319432527463195
Energy: 0.47538761259513745
Energy: 0.43201730901721247
Energy: 0.4908818960257964
Energy: 0.4739337814447211
Energy: 0.4741670106908305
Energy: 0.4523986791987553
Energy: 0.4738926777172716
Energy: 0.4312546214282137
Energy: 0.48793538214473403
Energy: 0.4594119398308283
Energy: 0.45033491958898886
Energy: 0.4522880469703367
Energy: 0.46623046747149943
Energy: 0.45781298324974595
Energy: 0.48993201622650545
Energy: 0.46528867195557183
Energy: 0.4384116736834822
Energy: 0.47258197446293476
Energy: 0.4658112172369944
Energy: 0.43242750561875365
Energy: 0.46819080403168956
Energy: 0.46243991720944233
Energy: 0.4644841748270521
Energy: 0.46847981726851007
Energy: 0.46314877877600186
Energy: 0.4387097579755209
Energy: 0.4670284424575386
Energy: 0.4523945595726933
Energy: 0.45225705776569697
Energy: 0.4670812841881406
Energy: 0.4526769425060437
Energy: 0.4556966628120195
Energy: 0.49687311279404933
Energy: 0.44191577182744757
Energy: 0.4324361994189366
Energy: 0.4967753703909707
Energy: 0.4383978128564853
Energy: 0.4500307358707719
Energy: 0.4922900106972134
Energy: 0.45267292351158656
Energy: 0.4556426995687606
Energy: 0.4671132972585186
Energy: 0.4532806580718227
Energy: 0.44740982303751203
Energy: 0.49224848215373374
Energy: 0.4510902496713501
Energy: 0.4533854426219468
Energy: 0.46017876034313626
Energy: 0.46116726400130237
Energy: 0.4581349598520215
Energy: 0.4932114745071472
Energy: 0.4628301103138981
Energy: 0.4657544614291262
Energy: 0.4659583213109563
Energy: 0.46196353673573715
Energy: 0.4561139476766789
Energy: 0.5241987060708438
Energy: 0.4674059268011542
Energy: 0.4541390652165085
Energy: 0.4444951776710659
Energy: 0.4670486263090515
Energy: 0.4298393202316446

minimum gb energy = 0.42979673510568284 eV
minimum distance =  2.71422076617332 Angstroms
sigma value = 57


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

Energy: 0.399453341639495
Energy: 0.36874824437736403
Energy: 0.22977383215003253
Energy: 0.22879940221261202
Energy: 0.39137222471530625
Energy: 0.3886451205325586
Energy: 0.5172640037424835
Energy: 0.37048644405088577
Energy: 0.3693099676174665
Energy: 0.4240733018293909
Energy: 0.42481433267795454
Energy: 0.3854896021692656
Energy: 0.5190160881188663
Energy: 0.5403852621698363
Energy: 0.38602279552826624
Energy: 0.385327528549166
Energy: 0.38821874904277226
Energy: 0.5263870381365318
Energy: 0.5193302861941479
Energy: 0.5059175937231715
Energy: 0.5000285133417612
Energy: 0.5005495415864811
Energy: 0.5027330808858439
Energy: 0.4916766080971775
Energy: 0.5176384632811468
Energy: 0.31291466858011296
Energy: 0.31198554031127523
Energy: 0.4942101457878588
Energy: 0.22884711122002827
Energy: 0.48214242481145236
Energy: 0.523798595325554
Energy: 0.31400091694268656
Energy: 0.31577861509238636
Energy: 0.4973053657623021
Energy: 0.2319190743215534
Energy: 0.24118361474047473
Energy: 0.5244999618554507
Energy: 0.4912707090368572
Energy: 0.4946572522489918
Energy: 0.5018753167325715
Energy: 0.4950120828542159
Energy: 0.4822439224259567
Energy: 0.4984260036903974
Energy: 0.5318576119008201
Energy: 0.4982120631240178
Energy: 0.49866033224913714
Energy: 0.5351263267594053
Energy: 0.5083637178714467
Energy: 0.542749043562939
Energy: 0.531416210402582
Energy: 0.5326024286577423
Energy: 0.5463399683352972
Energy: 0.5430452248567954
Energy: 0.5357153971709137
Energy: 0.22835610485829994
Energy: 0.5455799393487358
Energy: 0.22974121259711297
Energy: 0.22860272317632827
Energy: 0.5602061100380751
Energy: 0.2409544397472768
Energy: 0.22831443052780545
Energy: 0.5435771701809858
Energy: 0.5437698885582722
Energy: 0.22855263099453157
Energy: 0.5363918591832514
Energy: 0.2298071434889038
Energy: 0.5482303255979805
Energy: 0.542035881830365
Energy: 0.5344850069453847
Energy: 0.529811573491489
Energy: 0.5370213277465802
Energy: 0.5284773320078007
Energy: 0.538101360830889
Energy: 0.5057729085400874
Energy: 0.5025384716231314
Energy: 0.5390549837247053
Energy: 0.5273827393254688
Energy: 0.5491638836480546
Energy: 0.5422572525541882
Energy: 0.5012277204945366
Energy: 0.5158170651444198
Energy: 0.49760440238208814
Energy: 0.5003355030244928
Energy: 0.48152434407424055
Energy: 0.5500397097545713
Energy: 0.23360361783657663
Energy: 0.22930133741584072
Energy: 0.5072611584697166
Energy: 0.31390363315481457
Energy: 0.3138016112219445
Energy: 0.49868166337502234
Energy: 0.486630711525704
Energy: 0.4890408097760839
Energy: 0.49972422213368156
Energy: 0.3144840001865988
Energy: 0.4833178087719345
Energy: 0.5003317901906765
Energy: 0.4941764103252881
Energy: 0.49022180338952465
Energy: 0.5003741555028721
Energy: 0.5352315543605692
Energy: 0.5182881166549673
Energy: 0.5192298628037871
Energy: 0.5293961189733905
Energy: 0.3866904104390256
Energy: 0.40408502559419
Energy: 0.42315236422221797
Energy: 0.5333995955027749
Energy: 0.4001432745657641
Energy: 0.39619143852388
Energy: 0.36833371317088737
Energy: 0.22866073756556557
Energy: 0.4434116826614015
Energy: 0.3678133672502323

minimum gb energy = 0.22831443052780545 eV
minimum distance =  2.73742357240284 Angstroms
sigma value = 11


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

Energy: 0.8466563293687592
Energy: 0.5323328431805469
Energy: 0.45290116755908133
Energy: 0.3898039118138933
Energy: 0.37070937179424235
Energy: 0.4537661963046727
Energy: 0.3620395416244439
Energy: 0.36156190403088884
Energy: 0.36785966259672753
Energy: 0.36485777006805864
Energy: 0.3647481326405604
Energy: 0.3615801864558332
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Energy: 0.3712875931196588
Energy: 0.3633345924495542
Energy: 0.36622837564651195
Energy: 0.3747706007112844
Energy: 0.36226391996285867
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Energy: 0.36440822682382973
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Energy: 0.3661111996720217
Energy: 0.40725548104097153
Energy: 0.40001064546717857
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Energy: 0.37801191913740195
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Energy: 0.39684937749273946
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Energy: 0.43826122497861075
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Energy: 0.37868256152250235
Energy: 0.3909637271073761
Energy: 0.3746569690981455
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Energy: 0.40706286872692954
Energy: 0.5541285289906963
Energy: 0.4400774243177848
Energy: 0.4386036756961422
Energy: 0.40687349924656074
Energy: 0.4082350542268227
Energy: 0.43875844392195473
Energy: 0.596665111297182
Energy: 0.4107358719187135
Energy: 0.3797855346570926
Energy: 0.5113398550939627
Energy: 0.4977738579602733
Energy: 0.3655752798862592
Energy: 0.6985826674099096
Energy: 0.4034943659976339
Energy: 0.39927484312617456
Energy: 0.37540866855348204
Energy: 0.4063151978570901
Energy: 0.4374933273495706
Energy: 0.5559343597366598
Energy: 0.372333550671361
Energy: 0.36900151285095945
Energy: 0.3641508444513815
Energy: 0.3758650344487058
Energy: 0.3642185354682668
Energy: 0.4895495134165932
Energy: 0.4541149489110921
Energy: 0.38125435176790445
Energy: 0.45898781858816107
Energy: 0.3790388303275891
Energy: 0.3729069523519996
Energy: 0.5547725251300933
Energy: 0.4090733712560596
Energy: 0.40048767159600185
Energy: 0.39493683314647166
Energy: 0.44066836375958524
Energy: 0.3997678307554413
Energy: 0.5175984191894817
Energy: 0.37118021857978806
Energy: 0.38732889086096234
Energy: 0.5180681307434525
Energy: 0.3650571908730152
Energy: 0.44529707013046455
Energy: 0.3637353555813004
Energy: 0.40905867937327894
Energy: 0.4009224955315775
Energy: 0.36420147459145696
Energy: 0.37601252009076935
Energy: 0.4000196959096283
Energy: 0.36343816138101387
Energy: 0.36830373805106703
Energy: 0.36335225201342713
Energy: 0.3633577638242837
Energy: 0.367378777731151
Energy: 0.36640067189412623
Energy: 0.43116517746263777
Energy: 0.3662887990908966
Energy: 0.36682232183867264
Energy: 0.4321852884966135
Energy: 0.36626949091923755
Energy: 0.3664661198606994
Energy: 0.41471312827103257
Energy: 0.3643593549389242
Energy: 0.3662384289887909
Energy: 0.37513888003762397
Energy: 0.3784021338414513
Energy: 0.351348360549682

minimum gb energy = 0.3511541623638636 eV
minimum distance =  2.72681767825389 Angstroms
sigma value = 41


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

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Energy: 0.43543088521726037
Energy: 0.4219653977557419
Energy: 0.45660593651493436
Energy: 0.4366574406434682
Energy: 0.4570620702833957
Energy: 0.39057156065497395
Energy: 0.3893320371745633
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Energy: 0.3939115763927996
Energy: 0.39163468341754354
Energy: 0.38828803956907504
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Energy: 0.38831256742636666
Energy: 0.38831600169920977
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Energy: 0.39212437481270584
Energy: 0.3916000449999725
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Energy: 0.40045774547044843
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Energy: 0.38963540458386425
Energy: 0.3879041559895911
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Energy: 0.3953230984919319
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Energy: 0.39103428209011787
Energy: 0.39184390361991284
Energy: 0.4016653013125978
Energy: 0.3874384626015949
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Energy: 0.42078674285163936
Energy: 0.3731737219469945
Energy: 0.4198675806352939
Energy: 0.38995657761225283
Energy: 0.43773131264628745
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Energy: 0.38869815176231404
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Energy: 0.39226806260540725
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Energy: 0.5732323248603545
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Energy: 0.38918274550682586
Energy: 0.4989214943876684
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Energy: 0.3889165591808788
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Energy: 0.3947864304450267
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Energy: 0.38822855841481835
Energy: 0.4493685606175112
Energy: 0.37451371695217617
Energy: 0.3732586377499057
Energy: 0.4059132524751044
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Energy: 0.38663472809314886
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Energy: 0.40348684646967
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Energy: 0.3734681228250227
Energy: 0.39166014401696453
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Energy: 0.3931557779707104
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Energy: 0.39051489867308065
Energy: 0.3916874208759378
Energy: 0.3876607113682045
Energy: 0.3911883992576678
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Energy: 0.39036176509792503
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Energy: 0.3910476775748679
Energy: 0.3920696848190552
Energy: 0.3881446376501603
Energy: 0.42239292279935625
Energy: 0.508500398832489
Energy: 0.42156807931187545
Energy: 0.4223872598614395
Energy: 0.5081404694362204
Energy: 0.4191588262183483
Energy: 0.4375255561242283
Energy: 0.3916141079647927
Energy: 0.3895551380929903
Energy: 0.3913376545370964
Energy: 0.3927636701498788
Energy: 0.38932833350604884
Energy: 0.40731433918948406
Energy: 0.42144927042035096
Energy: 0.39350187617278126
Energy: 0.40300752476546126
Energy: 0.421440888016126
Energy: 0.3746985742426117
Energy: 0.43758910942181706
Energy: 0.39211390493968656
Energy: 0.38955351709485825
Energy: 0.3919811089439907
Energy: 0.3937358435118329
Energy: 0.38911559547651453
Energy: 0.5727651613498393
Energy: 0.3964686432824676
Energy: 0.39442992326219645
Energy: 0.39247533339737983
Energy: 0.39267611492202315
Energy: 0.3948383929648817
Energy: 0.572913535552306
Energy: 0.39905040988358
Energy: 0.3887261396197957
Energy: 0.5195923146565916
Energy: 0.3929128513267676
Energy: 0.389086133045334
Energy: 0.43666228433077264
Energy: 0.38586549523579367
Energy: 0.3926421718963653
Energy: 0.3946394258695587
Energy: 0.39275610227846897
Energy: 0.3945987879809312
Energy: 0.3929709297815268
Energy: 0.41238530714688815
Energy: 0.41275440689986764
Energy: 0.39306891682848294
Energy: 0.5282036281555483
Energy: 0.41296293460675987
Energy: 0.4575349741682791
Energy: 0.395498949539887
Energy: 0.3927444267145068
Energy: 0.39373286843950395
Energy: 0.39156160139380586
Energy: 0.3928134776774579
Energy: 0.39294654562182024
Energy: 0.38813768067707766
Energy: 0.3873399493779422
Energy: 0.3928479801973961
Energy: 0.38773952779185167
Energy: 0.3912684623703978
Energy: 0.3914757186062281
Energy: 0.3924050885000698
Energy: 0.3890696995422869
Energy: 0.39464880746896336
Energy: 0.39226029811894314
Energy: 0.3924839310920459
Energy: 0.7371534940647679
Energy: 0.3917426362622599
Energy: 0.37329647486874107
Energy: 0.6245042117819094
Energy: 0.3921477501224454
Energy: 0.39761424021770664

minimum gb energy = 0.3731737219469945 eV
minimum distance =  2.729889305669 Angstroms
sigma value = 33


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

Energy: 0.5396198352444485
Energy: 0.40265127398745043
Energy: 0.49901059064280034
Energy: 0.4205300993622376
Energy: 0.4582186484274508
Energy: 0.4983831877440889
Energy: 0.42545871891781323
Energy: 0.4127765125701067
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Energy: 0.43063271232421474
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Energy: 0.41280595739278003
Energy: 0.42513113818331666
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Energy: 0.4247398116016087
Energy: 0.4133730145432366
Energy: 0.41104057001306477
Energy: 0.4242075440683357
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Energy: 0.4173381489529731
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Energy: 0.42440413597385906
Energy: 0.42924130108847786
Energy: 0.410879132673701
Energy: 0.4696267928502834
Energy: 0.4178407856553215
Energy: 0.40241212796415016
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Energy: 0.4577054697264502
Energy: 0.41138651655447145
Energy: 0.435437538565584
Energy: 0.4267488008445608
Energy: 0.4263091352515592
Energy: 0.41570734439803025
Energy: 0.41687834852554656
Energy: 0.42284842094940556
Energy: 0.41509317952475056
Energy: 0.9027932127726108
Energy: 0.40512334863041666
Energy: 0.4006117151775333
Energy: 0.4002790608681176
Energy: 0.4691036027818415
Energy: 0.40121602598029515

minimum gb energy = 0.3996322050622202 eV
minimum distance =  2.73043228494518 Angstroms
sigma value = 67


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

Energy: 0.638914032837871
Energy: 0.463291322962621
Energy: 0.451567640157723
Energy: 0.46543403437984154
Energy: 0.46249318307224835
Energy: 0.4513570222483275
Energy: 0.46000160391835054
Energy: 0.4351722877571671
Energy: 0.43504924430191116
Energy: 0.434702379117492
Energy: 0.4362090680961102
Energy: 0.4348616700919951
Energy: 0.45041777187548515
Energy: 0.42062053667992355
Energy: 0.431846241784061
Energy: 0.43294433022221857
Energy: 0.4178119828504684
Energy: 0.43179544035979733
Energy: 0.45053689445454237
Energy: 0.43235658663026993
Energy: 0.4320922340157777
Energy: 0.430713533201377
Energy: 0.4324884904160972
Energy: 0.43185965428483364
Energy: 0.4586922853632315
Energy: 0.4356006445286644
Energy: 0.43655541433847017
Energy: 0.4590275252334512
Energy: 0.435493579370302
Energy: 0.43612599693484044
Energy: 0.4595008992376916
Energy: 0.439003543642789
Energy: 0.4377402367374401
Energy: 0.45977460364573197
Energy: 0.43898572074654
Energy: 0.43774599994434493
Energy: 0.4834254603335774
Energy: 0.43505625481098886
Energy: 0.43497327920130086
Energy: 0.4151825752377856
Energy: 0.43648024425405085
Energy: 0.43483104263189176

minimum gb energy = 0.4151825752377856 eV
minimum distance =  2.76037712940319 Angstroms
sigma value = 3


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

Energy: 0.7170499555057802
Energy: 0.8421821791157126
Energy: 0.4911573616542255
Energy: 0.4798232622556468
Energy: 0.8410188157499822
Energy: 0.49258113055149627
Energy: 0.48922376451708044
Energy: 0.4982664333842699
Energy: 0.49055689671616776
Energy: 0.5108938308924059
Energy: 0.5111852180098632
Energy: 0.4898916286881614
Energy: 0.49085189635242227
Energy: 0.4980740311171895
Energy: 0.4975163596625413
Energy: 0.49071017754394713
Energy: 0.4975126782404323
Energy: 0.48918869802425047
Energy: 0.48796909511855147
Energy: 0.4894249355369139
Energy: 0.4884752742787405
Energy: 0.48873321470954534
Energy: 0.49732202376561263
Energy: 0.4881547441124255
Energy: 0.49819238288777284
Energy: 0.48731579575190825
Energy: 0.48754651741800625
Energy: 0.4869748320733671
Energy: 0.4955635531209832
Energy: 0.48742603797080064
Energy: 0.4878624341382349
Energy: 0.48727304066352267
Energy: 0.48759301106979813
Energy: 0.4883226252454581
Energy: 0.4799792410331233
Energy: 0.4871882494054912
Energy: 0.4890177386377517
Energy: 0.4848886530642816
Energy: 0.4854526116134662
Energy: 0.486515464348366
Energy: 0.5013195240128809
Energy: 0.4936842034979716
Energy: 0.6175365129056912
Energy: 0.52096513850295
Energy: 0.4843243536396384
Energy: 0.49036180105738764
Energy: 0.4924449024260149
Energy: 0.4826746191644438
Energy: 0.490936462957612
Energy: 0.48346868484786093
Energy: 0.4996623950939912
Energy: 0.47815322129792087
Energy: 0.4815889759411742
Energy: 0.508631732414807
Energy: 0.4875482850645955
Energy: 0.4740140748882394
Energy: 0.4780664824017185
Energy: 0.5359681083887463
Energy: 0.4745005726672493
Energy: 0.4886935724379994
Energy: 0.4841775411913331
Energy: 0.48539187754124763
Energy: 0.48657589547450186
Energy: 0.4852566545497841
Energy: 0.477839225001108
Energy: 0.4971643631180142
Energy: 0.5098106189957333
Energy: 0.48875920264863765
Energy: 0.48790380077003453
Energy: 0.48535070928819474
Energy: 0.4816431175100953
Energy: 0.48776842091312145
Energy: 0.49228293017113184
Energy: 0.488591542938601
Energy: 0.4876798329921108
Energy: 0.48171973781333705
Energy: 0.48792495502978894
Energy: 0.4879848402042435
Energy: 0.49299572378932116
Energy: 0.49150153900734184
Energy: 0.48862777790222867
Energy: 0.49792300985918797
Energy: 0.4891615373652626
Energy: 0.4880059481387071
Energy: 0.5097889332481538
Energy: 0.492907437395043
Energy: 0.4964371084483716
Energy: 0.48696409673366464
Energy: 0.4942539837767448
Energy: 0.49016474289938594
Energy: 0.4879994235685406
Energy: 0.4899824673100795
Energy: 0.48953997366888047
Energy: 0.48998483691296707
Energy: 0.5186621959846556
Energy: 0.4901275315592024
Energy: 0.555246648263102
Energy: 0.4906646446063753
Energy: 0.4851099107371469
Energy: 0.5553787920774981
Energy: 0.4902046633229317
Energy: 0.49552016962009726
Energy: 0.4909714583362706
Energy: 0.49305461268115797
Energy: 0.4809237032054392
Energy: 0.4859664179927046
Energy: 0.48622671500538645
Energy: 0.4900832126698852
Energy: 0.581590250771281
Energy: 0.4889867074690169
Energy: 0.4884760651481434
Energy: 0.5059171648632675
Energy: 0.5143458619859893
Energy: 0.4793510661107233
Energy: 0.5338286626270473
Energy: 0.48375974674128236
Energy: 0.4842139307402744
Energy: 0.47446044750304556
Energy: 0.48410995332260026
Energy: 0.47879929057668286
Energy: 0.4819080580406846
Energy: 0.4825146652330104
Energy: 0.484975058890508
Energy: 0.480221201804122
Energy: 0.4839677766185148
Energy: 0.48548231321880253
Energy: 0.48438604756877557
Energy: 0.4847759053064797
Energy: 0.4835495837407211
Energy: 0.48416711963206116
Energy: 0.4846377696058747
Energy: 0.48325522104756247
Energy: 0.4921718228499081
Energy: 0.48529046298583883
Energy: 0.4932920848340033
Energy: 0.49106695656570365
Energy: 0.4822325850409765
Energy: 0.48962327490039886
Energy: 0.4813259849271724
Energy: 0.490254367232797
Energy: 0.4901683226472785
Energy: 0.48175350165353625
Energy: 0.49040633027840463
Energy: 0.4818662280254818
Energy: 0.4885274189038013
Energy: 0.4891492090323698
Energy: 0.48912085674139066
Energy: 0.5013253501471787
Energy: 0.4940420054205471
Energy: 0.488497161651802
Energy: 0.5870220357500698
Energy: 0.5102235777910479
Energy: 0.48452759632129017
Energy: 0.4824613569035342
Energy: 0.5145078241689008
Energy: 0.49637351467736524
Energy: 0.4776069761147595
Energy: 0.5097504837958512
Energy: 0.5184211734212859
Energy: 0.47986641652950573
Energy: 0.5147590823045863
Energy: 0.4965528806134717
Energy: 0.489132150529798
Energy: 0.4910281114307405
Energy: 0.49071467269813374
Energy: 0.5082939543278474
Energy: 0.5128177718890125
Energy: 0.4884620357333769
Energy: 0.49147486185123695
Energy: 0.4986748486308968
Energy: 0.4978995786627348
Energy: 0.48889236970682176
Energy: 0.49855145822975483
Energy: 0.4901399778296535
Energy: 0.48980631979392736
Energy: 0.4940822441553959
Energy: 0.49518941517671955
Energy: 0.4903240735253958
Energy: 0.49558654835560034
Energy: 0.4874999724293526
Energy: 0.48730828706104273
Energy: 0.4881963776619
Energy: 0.4880269977735124
Energy: 0.48797107144120605
Energy: 0.4889569965897516
Energy: 0.4874973577277495
Energy: 0.49599537212267847
Energy: 0.48738938685998257
Energy: 0.47980900737117044
Energy: 0.48046199384280136
Energy: 0.48450633007802324
Energy: 0.4814889007000405
Energy: 0.5589382110694148
Energy: 0.5011319959560356
Energy: 0.4952321583735158
Energy: 0.48825189676742586
Energy: 0.5181156654068348
Energy: 0.48292616452643244
Energy: 0.4943540217345393
Energy: 0.4897803464614538
Energy: 0.48776181931955076
Energy: 0.48385100770957706
Energy: 0.4847691646236491
Energy: 0.4879010153017312
Energy: 0.48697372118389004
Energy: 0.498156952762841
Energy: 0.497233546964885
Energy: 0.4779148989070373
Energy: 0.47734783880072074
Energy: 0.4870140549028594
Energy: 0.5158210619073655
Energy: 0.4740732611386014
Energy: 0.4788821526759233
Energy: 0.5161159190664835
Energy: 0.4743242778805503
Energy: 0.4886733837999886
Energy: 0.47842562147929746
Energy: 0.4832179086203523
Energy: 0.48140386095805443
Energy: 0.4797642198601768
Energy: 0.4817417338511653
Energy: 0.4887428391962115
Energy: 0.4889062502649976
Energy: 0.4887889545684139
Energy: 0.4884415761983662
Energy: 0.47346239827696923
Energy: 0.4892233017695271
Energy: 0.48950046232142264
Energy: 0.4799360547732148
Energy: 0.4944855314153102
Energy: 0.4882029257244935
Energy: 0.482668360140246
Energy: 0.4920573307038133
Energy: 0.48804844665099284
Energy: 0.5132956999878663
Energy: 0.4886638191417983
Energy: 0.4892933406490321
Energy: 0.48729251925207523
Energy: 0.48906171233686574
Energy: 0.489883183911796
Energy: 0.509930060676859
Energy: 0.4889290767664826
Energy: 0.48960150899989024
Energy: 0.5129371768710367
Energy: 0.5080156839426759
Energy: 0.48912109652341057
Energy: 0.554765077824214
Energy: 0.4902772498793385
Energy: 0.49239088721776453
Energy: 0.5325658392481977
Energy: 0.48645615972093054
Energy: 0.4909269807197832
Energy: 0.5572775508877029
Energy: 0.4900193909487542
Energy: 0.4838219418024953
Energy: 0.5580471857160049
Energy: 0.48920903627108964
Energy: 0.506606801900146
Energy: 0.5352251352316987
Energy: 0.48998631971651696
Energy: 0.49045929808906236
Energy: 0.4890239440213597
Energy: 0.488628619540492
Energy: 0.4891584455816075
Energy: 0.7285822648404641
Energy: 0.4821155547992596
Energy: 0.5145084516226899
Energy: 0.5161055947714922
Energy: 0.48146135603530515
Energy: 0.512515869153361
Energy: 0.49242544942607935
Energy: 0.4898701229038046
Energy: 0.48844236187445417
Energy: 0.4911189057051617
Energy: 0.49004768913622976
Energy: 0.48902575059816317
Energy: 0.48282527796230323
Energy: 0.48481869534418165
Energy: 0.48386215229752955
Energy: 0.4839924717234113
Energy: 0.485268412798339
Energy: 0.48449029493073953
Energy: 0.48173110886791753
Energy: 0.48698822769638844
Energy: 0.4861786278392241
Energy: 0.4818442249813749
Energy: 0.48219641086376164
Energy: 0.4842869315618013
Energy: 0.48421301486949403
Energy: 0.4888885231891223
Energy: 0.48365268558847085
Energy: 0.4844875869338728
Energy: 0.48957768887695435
Energy: 0.48338567775673347
Energy: 0.491933026785344
Energy: 0.4887605985524933
Energy: 0.4893684676465532
Energy: 0.49420389208377974
Energy: 0.49083105177457875
Energy: 0.4888834394362048
Energy: 0.49642180540908015
Energy: 0.48296405496681966
Energy: 0.4870531461196157
Energy: 0.4955031396057228
Energy: 0.4863884305925112
Energy: 0.4899991062480638

minimum gb energy = 0.47346239827696923 eV
minimum distance =  2.71610279707075 Angstroms
sigma value = 81


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

Energy: 0.9340684539349606
Energy: 0.5032298633398848
Energy: 0.4672211437882996
Energy: 0.4694647808185854
Energy: 0.5034171181961264
Energy: 0.46726507861693267
Energy: 0.4882404745040661
Energy: 0.4951513029981677
Energy: 0.4958254473384425
Energy: 0.49447354650562747
Energy: 0.47855680732097483
Energy: 0.500823647387428
Energy: 0.4941026242982106
Energy: 0.4761932780810388
Energy: 0.4774231101776744
Energy: 0.49143144766799995
Energy: 0.47893329330298634
Energy: 0.5057212714652122
Energy: 0.4891121461485313
Energy: 0.4782399153189258
Energy: 0.4884777770499079
Energy: 0.4892319859883593
Energy: 0.470109297265377
Energy: 0.49254204915227284
Energy: 0.4899902766380237
Energy: 0.4903533353365339
Energy: 0.4895067126191537
Energy: 0.4900707338994599
Energy: 0.49652068835134017
Energy: 0.49431630790433706
Energy: 0.49149032460967923
Energy: 0.4950840599320154
Energy: 0.4945692254077218
Energy: 0.49746708393899103
Energy: 0.49612842360388504
Energy: 0.4945807186972142
Energy: 0.48814693715315005
Energy: 0.4912985413638796
Energy: 0.48309290299301255
Energy: 0.4890635863074517
Energy: 0.4942473732085866
Energy: 0.4942155189203882
Energy: 0.5446768483016171
Energy: 0.5333503417697292
Energy: 0.5207945493919641
Energy: 0.47616814488588216
Energy: 0.5773308702584062
Energy: 0.4972551802203666
Energy: 0.48202177472085506
Energy: 0.4834148523477769
Energy: 0.49223586350260523
Energy: 0.48918407402652414
Energy: 0.4708636617480186
Energy: 0.48835976709576895
Energy: 0.4839929079121111
Energy: 0.44372739377526316
Energy: 0.4447498404133764
Energy: 0.4843871558228704
Energy: 0.44414095914032736
Energy: 0.4471864014789434
Energy: 0.48919613274893103
Energy: 0.4521348031943526
Energy: 0.44457972074903884
Energy: 0.4930879742645513
Energy: 0.44434718768108283
Energy: 0.48775411584627876
Energy: 0.47088058264172733
Energy: 0.4827787618770752
Energy: 0.48171049294024554
Energy: 0.4730479498883912
Energy: 0.47637537440680716
Energy: 0.47980406994843755
Energy: 0.4703401423778714
Energy: 0.5019383176098737
Energy: 0.4928116126629202
Energy: 0.46996466006985277
Energy: 0.49823886914955917
Energy: 0.4776416229635922
Energy: 0.4695733554335965
Energy: 0.47484328052207936
Energy: 0.5016242857699685
Energy: 0.49112385732414854
Energy: 0.47473112215330227
Energy: 0.4991115920744768
Energy: 0.5942568401930515
Energy: 0.5018568998992424
Energy: 0.5063859727674368
Energy: 0.5069547358805677
Energy: 0.5143120648409267
Energy: 0.5065374672573993
Energy: 0.5041033828470659
Energy: 0.5001889358218803
Energy: 0.500535472141351
Energy: 0.5042460395802827
Energy: 0.5007245452832148
Energy: 0.5009668130134745
Energy: 0.5417031020410584
Energy: 0.4827961164709909
Energy: 0.4764097076819557
Energy: 0.5418633369543141
Energy: 0.47633034217705006
Energy: 0.4881268245766985
Energy: 0.4833505590187863
Energy: 0.48504949426972827
Energy: 0.4974861442310644
Energy: 0.46582640245303264
Energy: 0.485304394528547
Energy: 0.4986883398517168
Energy: 0.4497835492791047
Energy: 0.4833795150942149
Energy: 0.44480759294688704
Energy: 0.4549849094479351
Energy: 0.4968516835544869
Energy: 0.44453609876860745
Energy: 0.448810945638892
Energy: 0.48424915634184945
Energy: 0.4448664937163716
Energy: 0.45899742273100835
Energy: 0.49829880024614404
Energy: 0.4448789446291757
Energy: 0.4837433417388707
Energy: 0.48510701012626267
Energy: 0.47351822192652354
Energy: 0.466253579763536
Energy: 0.48491226377555885
Energy: 0.4803599691185608
Energy: 0.49869222002099545
Energy: 0.47695262194461635
Energy: 0.4897532814298097
Energy: 0.4987885761986652
Energy: 0.47730612537536804
Energy: 0.4895958932947488
Energy: 0.49776976303133136
Energy: 0.4967265239900221
Energy: 0.4971893841226056
Energy: 0.4978016680781957
Energy: 0.4840284503361133
Energy: 0.49743581667643727
Energy: 0.4878805382185207
Energy: 0.5069600764910074
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Energy: 0.5032774389316945
Energy: 0.4757114730852721
Energy: 0.5042082050347106
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Energy: 0.4856627141952913
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Energy: 0.5041738875473769
Energy: 0.484908720692366
Energy: 0.5009074499671943
Energy: 0.5401216171587321
Energy: 0.509611925964905
Energy: 0.5196539809000957
Energy: 0.4707620464881284
Energy: 0.5094255675340525
Energy: 0.5202074969746214
Energy: 0.4961988906225015
Energy: 0.5207334039662928
Energy: 0.4900833294300048
Energy: 0.49380562513918097
Energy: 0.5208931482226186
Energy: 0.4902545479303765
Energy: 0.4849310084347941
Energy: 0.462528773857656
Energy: 0.4851856848103754
Energy: 0.4879585177862259
Energy: 0.45738699744302286
Energy: 0.48783315933115773
Energy: 0.5034632154245119
Energy: 0.44461278433457346
Energy: 0.44445062259579915
Energy: 0.5048068722555619
Energy: 0.4440147262900439
Energy: 0.4459942787145539
Energy: 0.4864460244765023
Energy: 0.4836877425136228
Energy: 0.48302774577342084
Energy: 0.4897986266399448
Energy: 0.47121055225133024
Energy: 0.48820418835788726
Energy: 0.4697942822628708
Energy: 0.4951077754971932
Energy: 0.48143840637482754
Energy: 0.47887379223868215
Energy: 0.513918660265058
Energy: 0.47753474186280453
Energy: 0.4947587536734666
Energy: 0.4873217236396533
Energy: 0.47423979893807106
Energy: 0.4895847813701963
Energy: 0.4869375935113098
Energy: 0.48103793719830346
Energy: 0.494666468595044
Energy: 0.49238982844356727
Energy: 0.49265660223094504
Energy: 0.5011959909106338
Energy: 0.4908676048346873
Energy: 0.4927581530028016
Energy: 0.4952262453320168
Energy: 0.4904845676324356
Energy: 0.49088307363136396
Energy: 0.5013636892650385
Energy: 0.4967775023808573
Energy: 0.4971148905568491
Energy: 0.4968878934538208
Energy: 0.4927121997279543
Energy: 0.4971434426478997
Energy: 0.49688511248427714
Energy: 0.47025871492758836
Energy: 0.5054546172565467
Energy: 0.57657587418081
Energy: 0.482331066967992
Energy: 0.48233822486794903
Energy: 0.5688205836609008
Energy: 0.48157560355631135
Energy: 0.5379117015396435
Energy: 0.4883151952766472
Energy: 0.4949387924545488
Energy: 0.4956761844779755
Energy: 0.4944060376823783
Energy: 0.47859219441705136
Energy: 0.5007164954488414
Energy: 0.5878771910213102
Energy: 0.4751471907141085
Energy: 0.46740811696290346
Energy: 0.46025806178857465
Energy: 0.48640912179075074
Energy: 0.4686165957896057

minimum gb energy = 0.44372739377526316 eV
minimum distance =  2.70720630237569 Angstroms
sigma value = 43


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

Energy: 0.7395796932891946
Energy: 0.5282262485087648
Energy: 0.5201547334637842
Energy: 0.4790937354510775
Energy: 0.5676840815415221
Energy: 0.4781910097231973
Energy: 0.46729695393624016
Energy: 0.48325757199547686
Energy: 0.49045927854261073
Energy: 0.506236825135591
Energy: 0.4684454094730641
Energy: 0.4692301272637285
Energy: 0.4658142274291142
Energy: 0.45860514890330684
Energy: 0.458848898976707
Energy: 0.49217335928889266
Energy: 0.45957419800795213
Energy: 0.46796725914474246
Energy: 0.4674490136504106
Energy: 0.45992991819969387
Energy: 0.470527938310585
Energy: 0.46780492428395537
Energy: 0.47660438374398445
Energy: 0.4685995046402776
Energy: 0.4672335575581033
Energy: 0.4692628095324217
Energy: 0.4716492123845082
Energy: 0.4674223970478682
Energy: 0.4711072730006428
Energy: 0.47038408992960035
Energy: 0.4670617220347085
Energy: 0.4710944593463116
Energy: 0.46935534614788005
Energy: 0.47007299730510943
Energy: 0.47017523667841155
Energy: 0.46846959451626513
Energy: 0.467753647348722
Energy: 0.46885815721826296
Energy: 0.4682492488649387
Energy: 0.46746967984850235
Energy: 0.46781870220070754
Energy: 0.4699173111300675
Energy: 0.5366990304047741
Energy: 0.4676802513931324
Energy: 0.46748457227394663
Energy: 0.48668992234353553
Energy: 0.46730683494641756
Energy: 0.4691892177196151
Energy: 0.4657976024221587
Energy: 0.4657453999040165
Energy: 0.4656638666901675
Energy: 0.4660262044013411
Energy: 0.46546774753296916
Energy: 0.4689571681257548
Energy: 0.5685087668469997
Energy: 0.47103211833045583
Energy: 0.47092293660848117
Energy: 0.5592278019877297
Energy: 0.47622920019342985
Energy: 0.47170985632365275
Energy: 0.4820382589434902
Energy: 0.4827984040183617
Energy: 0.4942119360907787
Energy: 0.46614153088424043
Energy: 0.47304870854504516
Energy: 0.48801610263252027
Energy: 0.4731231965441773
Energy: 0.4678028994070307
Energy: 0.468135093580586
Energy: 0.45983227032248136
Energy: 0.4650084142318885
Energy: 0.46882056180825216
Energy: 0.47191580815433515
Energy: 0.46742449299821337
Energy: 0.47575152960404116
Energy: 0.4621358846603398
Energy: 0.4856087031107167
Energy: 0.47577012799328194
Energy: 0.4783933805147167
Energy: 0.4690178098591159
Energy: 0.4649877413562363
Energy: 0.4658346339845509
Energy: 0.4670010506855442
Energy: 0.48848459986049775
Energy: 0.48276102566467555
Energy: 0.4778767627589154
Energy: 0.49188355144752605
Energy: 0.483036136422909
Energy: 0.46872165133535604
Energy: 0.49163021614077385
Energy: 0.4777209379175064
Energy: 0.4720712017363198
Energy: 0.47909556025369743
Energy: 0.4777299263885925
Energy: 0.47425773356175877
Energy: 0.47749479758307406
Energy: 0.4697574490382395
Energy: 0.49446799764538907
Energy: 0.49431895091342604
Energy: 0.469695402125342
Energy: 0.4842942409922483
Energy: 0.4946460586481335
Energy: 0.4754578217908144
Energy: 0.4943430907246862
Energy: 0.48706504639210946
Energy: 0.48816805666631746
Energy: 0.48409197934250514
Energy: 0.4869655454720034
Energy: 0.4665899829722772
Energy: 0.4759280083391798
Energy: 0.47704498971011194
Energy: 0.473029087544898
Energy: 0.4765478327183
Energy: 0.4695515751928102
Energy: 0.46668120400643937
Energy: 0.47627653863844244
Energy: 0.4779297995860642
Energy: 0.4750846104694987
Energy: 0.4769767819904624
Energy: 0.46953740631245433
Energy: 0.4753997498575306
Energy: 0.4896877185133918
Energy: 0.4847420141704016
Energy: 0.4889623076296754
Energy: 0.47622829806691286
Energy: 0.4874559823772069
Energy: 0.5240359393865759
Energy: 0.47690145511927307
Energy: 0.47695317205574445
Energy: 0.5244299968662459
Energy: 0.4642226223922985
Energy: 0.5256295668751091
Energy: 0.4808616035292038
Energy: 0.4833117123385428
Energy: 0.48919020689708886
Energy: 0.48857483544143276
Energy: 0.484328888404122
Energy: 0.49051793586009856
Energy: 0.5499547992036892
Energy: 0.47688878883320684
Energy: 0.48600732294878385
Energy: 0.4855090164911217
Energy: 0.4679043346486817
Energy: 0.4857917481156079
Energy: 0.4829660077875609
Energy: 0.4758474590378994
Energy: 0.47638575242649495
Energy: 0.4841738813980177
Energy: 0.47632866545037855
Energy: 0.4857961538847754
Energy: 0.5077566459477227
Energy: 0.48701636634985085
Energy: 0.4857473763857471
Energy: 0.48468335570876026
Energy: 0.4816478490562669
Energy: 0.48578744079265723
Energy: 0.5074446449644064
Energy: 0.48625205776315017
Energy: 0.48593631940570237
Energy: 0.4663690817903102
Energy: 0.48437814054407724
Energy: 0.48693570044491263
Energy: 0.5102809043745384
Energy: 0.4733826322533462
Energy: 0.46539746581309593
Energy: 0.4650302775018655
Energy: 0.4676940379569163
Energy: 0.4688147439590761
Energy: 0.4646013881542757
Energy: 0.4689080519200146
Energy: 0.46887924140934173
Energy: 0.4645110354776618
Energy: 0.4866009658493434
Energy: 0.46900039668579147
Energy: 0.4673307519089331
Energy: 0.4697842539363995
Energy: 0.4734444886715325
Energy: 0.5057934015150859
Energy: 0.4684738631314548
Energy: 0.46900306497177696
Energy: 0.4678109211664208
Energy: 0.515309814139352
Energy: 0.48453603783636245
Energy: 0.47831534595322533
Energy: 0.5547772606730252
Energy: 0.48745920516685637

minimum gb energy = 0.45860514890330684 eV
minimum distance =  2.70918395666733 Angstroms
sigma value = 57


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

Energy: 0.6447837614041722
Energy: 0.5242109079126713
Energy: 0.48563633373462506
Energy: 0.4612681629100918
Energy: 0.5244445753674946
Energy: 0.5420822700812576
Energy: 0.5666379260171341
Energy: 0.4727802419130434
Energy: 0.47564349776476583
Energy: 0.4857258639847798
Energy: 0.4733512387386888
Energy: 0.4678631018880143
Energy: 0.5548131774839077
Energy: 0.49608033577198063
Energy: 0.49697835426240944
Energy: 0.4746807132343041
Energy: 0.49587077072774244
Energy: 0.4968792743909277
Energy: 0.5660838606110334
Energy: 0.4959670504248302
Energy: 0.4971340245241738
Energy: 0.5688686406939765
Energy: 0.4962505946553438
Energy: 0.4766864293430409
Energy: 0.5724577510552862
Energy: 0.5507165059964575
Energy: 0.5249462177959896
Energy: 0.49012904531011264
Energy: 0.4687453706375242
Energy: 0.5533512194771498
Energy: 0.4919101383305387
Energy: 0.5448147621411933
Energy: 0.543790071141729
Energy: 0.5513312037353876
Energy: 0.5434243198070824
Energy: 0.5443400770699556
Energy: 0.5831757318698754
Energy: 0.5597503330331662
Energy: 0.5599178186820173
Energy: 0.5497449400676538
Energy: 0.5599025966303828
Energy: 0.5448718602631288
Energy: 0.5333674038317033
Energy: 0.572404193808769
Energy: 0.5771783069961872
Energy: 0.5140942024462827
Energy: 0.5709954633624603
Energy: 0.5785868658466257
Energy: 0.5742968777012615
Energy: 0.5779258465772477
Energy: 0.578465608703887
Energy: 0.5658754087636195
Energy: 0.577637896017321
Energy: 0.5569840105333775
Energy: 0.6160569097565105
Energy: 0.5313106422888476
Energy: 0.5314010300417514
Energy: 0.5607797528545374
Energy: 0.5201811895568018
Energy: 0.5312763097326935
Energy: 0.5438879455766064
Energy: 0.514549619073756
Energy: 0.5464354126884614
Energy: 0.5768349133622879
Energy: 0.5150248458799858
Energy: 0.5783956783476796
Energy: 0.45801004827830866
Energy: 0.5633013519132161
Energy: 0.5627507612051204
Energy: 0.4595320626274646
Energy: 0.562336660494277
Energy: 0.47806218632913794
Energy: 0.45835890737117874
Energy: 0.561339614892419
Energy: 0.4791497191515327
Energy: 0.44581526592510395
Energy: 0.5617276633057503
Energy: 0.4785168430697289
Energy: 0.5425960017430224
Energy: 0.5482034949486264
Energy: 0.5457865065899912
Energy: 0.5799213489910233
Energy: 0.584756497541046
Energy: 0.5477829765381332
Energy: 0.5615761356597317
Energy: 0.5058112167875886
Energy: 0.5139258440850816
Energy: 0.5982802026255114
Energy: 0.4998931969678944
Energy: 0.5049029636776052
Energy: 0.571200142042156
Energy: 0.5606392921951179
Energy: 0.562290115147414
Energy: 0.5720761594473294
Energy: 0.5579007419609423
Energy: 0.561680551043665
Energy: 0.5795066417731245
Energy: 0.5541229326696309
Energy: 0.5536499222370096
Energy: 0.5525954989697874
Energy: 0.5509815163017218
Energy: 0.5551068743006566
Energy: 0.5794876805217495
Energy: 0.5439795599601317
Energy: 0.5434661965649921
Energy: 0.5530193205340714
Energy: 0.5612428467192027
Energy: 0.558358081061553
Energy: 0.5761377945782348
Energy: 0.5612727356038852
Energy: 0.5688249761819333
Energy: 0.5604345171465839
Energy: 0.5607630326865792
Energy: 0.5713614980815522
Energy: 0.5766715698372903
Energy: 0.5710610403728321
Energy: 0.5745497179029586
Energy: 0.48901867091901113
Energy: 0.5743582684830608
Energy: 0.5723640623118241
Energy: 0.5608327461801268
Energy: 0.4730500187986625
Energy: 0.5246205858748672
Energy: 0.5649349598530768
Energy: 0.4740478087160789
Energy: 0.4825885979332155
Energy: 0.6099330952309256
Energy: 0.5312081607971302
Energy: 0.532466957776503
Energy: 0.5164597878076498
Energy: 0.531072101809042
Energy: 0.5170857823682624
Energy: 0.5607254953623209
Energy: 0.472603773031547
Energy: 0.47249741313487226
Energy: 0.4621445009835377
Energy: 0.47306324753118
Energy: 0.4778230903413834
Energy: 0.5181658605407302
Energy: 0.4757626396282117
Energy: 0.47911955853839744
Energy: 0.4657086762363147
Energy: 0.4749786467260203
Energy: 0.5196992192404135

minimum gb energy = 0.44581526592510395 eV
minimum distance =  2.70221006566023 Angstroms
sigma value = 17


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

Energy: 0.43957483072409137
Energy: 0.5005003966736261
Energy: 0.5757769300431
Energy: 0.4813367745440237
Energy: 0.5255552695053526
Energy: 0.45094136211172026
Energy: 0.5799730466752578
Energy: 0.5113047549333828
Energy: 0.5133494798001432
Energy: 0.5193313530140893
Energy: 0.5119057657049013
Energy: 0.46443001600096384
Energy: 0.5069711783827747
Energy: 0.4360221320715618
Energy: 0.4360028418477687
Energy: 0.5025818312256843
Energy: 0.4358552779458025
Energy: 0.449568383631923
Energy: 0.5205137952121792
Energy: 0.45054506680209416
Energy: 0.4503268238989153
Energy: 0.5203361871760477
Energy: 0.420152021142904
Energy: 0.4699986192731929
Energy: 0.45524557646227837
Energy: 0.43816869700726135
Energy: 0.4305123236924734
Energy: 0.4547943820434762
Energy: 0.445378940856215
Energy: 0.4321129134841219
Energy: 0.45244904392488483
Energy: 0.44711526759286496
Energy: 0.43432420404046546
Energy: 0.4264739659955513
Energy: 0.45286806980636957
Energy: 0.42592399598499187
Energy: 0.45040164788448633
Energy: 0.4486278765728407
Energy: 0.4489029215801556
Energy: 0.44993949119383736
Energy: 0.4517139520149147
Energy: 0.433726557527773
Energy: 0.43747843380662493
Energy: 0.41910891104273473
Energy: 0.419274359180183
Energy: 0.4206945805186361
Energy: 0.4188787196188943
Energy: 0.4190063080386032
Energy: 0.45043410193483974
Energy: 0.42084578056170113
Energy: 0.4209849090043286
Energy: 0.45149976035617656
Energy: 0.4480009093603354
Energy: 0.450738692242727
Energy: 0.45351550895465975
Energy: 0.43412134385676815
Energy: 0.4340528388823596
Energy: 0.4531459750918821
Energy: 0.43042182720664823
Energy: 0.44097836561268294
Energy: 0.45334594202352346
Energy: 0.4325321174348719
Energy: 0.43107533804047504
Energy: 0.4457258534024239
Energy: 0.45496912581815163
Energy: 0.4301084240931313
Energy: 0.4549934076124756
Energy: 0.5173879985443284
Energy: 0.5174775419055219
Energy: 0.4548973708321555
Energy: 0.5171532991392113
Energy: 0.506876055518848
Energy: 0.45412583171150317
Energy: 0.49727292562729364
Energy: 0.4979449145449441
Energy: 0.43085611041234767
Energy: 0.501348354010732
Energy: 0.4985854894151537
Energy: 0.5208177330646685
Energy: 0.5180199673417746
Energy: 0.5114495244950265
Energy: 0.5197382919364198
Energy: 0.5181439566070432
Energy: 0.4645531444181747
Energy: 0.48909397974276253
Energy: 0.5048170295628693
Energy: 0.5145974487250835
Energy: 0.5066368427390538
Energy: 0.4997472895892192
Energy: 0.5038566228462534
Energy: 0.5818404997335792
Energy: 0.5150153410777034
Energy: 0.46084251768830253
Energy: 0.5120576048040641
Energy: 0.5145074474316805
Energy: 0.5132359312094577
Energy: 0.43491809281036087
Energy: 0.5033277977652517
Energy: 0.5381037236113176
Energy: 0.4326577639110435
Energy: 0.5025195825228259
Energy: 0.5382551365115464

minimum gb energy = 0.4188787196188943 eV
minimum distance =  2.6929522711521 Angstroms
sigma value = 17


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

Energy: 0.4373391259407624
Energy: 0.5816636572620534
Energy: 0.453532116702325
Energy: 0.43466792031037765
Energy: 0.5857725501907206
Energy: 0.47718333428647935
Energy: 0.5187466853173703
Energy: 0.529519512045094
Energy: 0.4482339170801108
Energy: 0.4898265277567014
Energy: 0.5356111783500298
Energy: 0.4454314081722289
Energy: 0.6441667319236907
Energy: 0.4186932815273869
Energy: 0.4402176579619032
Energy: 0.4905224643552436
Energy: 0.4186627288124953
Energy: 0.4536218583197232
Energy: 0.5401243536869207
Energy: 0.47796482190755457
Energy: 0.47758793424583573
Energy: 0.4871725728434335
Energy: 0.4251893090679979
Energy: 0.48113455220630763
Energy: 0.4752665359457631
Energy: 0.4624007979255725
Energy: 0.4314449523090058
Energy: 0.47571701985773124
Energy: 0.41879306822393114
Energy: 0.4038423522949246
Energy: 0.4389592359836285
Energy: 0.4521282422498342
Energy: 0.41570554942137683
Energy: 0.4179471850735589
Energy: 0.4691393491229179
Energy: 0.4165967557552975
Energy: 0.4407924259498935
Energy: 0.4738488554131138
Energy: 0.46893464343742364
Energy: 0.45084954927240145
Energy: 0.471513410485345
Energy: 0.435258133426317
Energy: 0.4418339203974705
Energy: 0.40588495125510243
Energy: 0.4329010116778676
Energy: 0.4397453040983148
Energy: 0.40693244670015843
Energy: 0.43284117559154084
Energy: 0.44309243020401207
Energy: 0.42941670870691934
Energy: 0.43772076076640626
Energy: 0.4439185023469612
Energy: 0.44831957450453386
Energy: 0.4407128981860386
Energy: 0.44055428909713595
Energy: 0.43094859233990884
Energy: 0.430683138812999
Energy: 0.44068233844051735
Energy: 0.43050090953458914
Energy: 0.4335196801147976
Energy: 0.4502737448790342
Energy: 0.4412526245859313
Energy: 0.4267669662336008
Energy: 0.4292364609855908
Energy: 0.44054697569554124
Energy: 0.437890499342354
Energy: 0.44288187522396316
Energy: 0.4469729388236962
Energy: 0.4405196764628251
Energy: 0.44349050242932503
Energy: 0.44406942590576115
Energy: 0.45049749922051113
Energy: 0.45907190760838884
Energy: 0.43219718538171764
Energy: 0.4321350617527557
Energy: 0.43775934368981995
Energy: 0.4398731968200714
Energy: 0.4323306436552712
Energy: 0.4701352828634682
Energy: 0.4331185605842001
Energy: 0.43887486870235287
Energy: 0.4711800719211922
Energy: 0.440828425734695
Energy: 0.46923883400420174
Energy: 0.4693499119686531
Energy: 0.4235207995092945
Energy: 0.42273734677226554
Energy: 0.46934792737450365
Energy: 0.4225604694644766
Energy: 0.46706240474923616
Energy: 0.5450422891102424
Energy: 0.4642113012036809
Energy: 0.45496509729660867
Energy: 0.4757370991763235
Energy: 0.4787742480201171
Energy: 0.45431258839338345
Energy: 0.42560074626082406
Energy: 0.5428811492359156
Energy: 0.5429808875094959
Energy: 0.4265898267014707
Energy: 0.5482285809944362
Energy: 0.437875519497717
Energy: 0.42580228818826255
Energy: 0.5472512564918548
Energy: 0.536331098205919
Energy: 0.426666451036912
Energy: 0.5519361498987374
Energy: 0.43508167540368464
Energy: 0.5873938960229925
Energy: 0.5355674310417544
Energy: 0.4889954274608241
Energy: 0.5040078799089919
Energy: 0.4623136899430851
Energy: 0.4864605634915643
Energy: 0.6325409394987067
Energy: 0.4546352657939287
Energy: 0.454093319589645
Energy: 0.524143776607356
Energy: 0.4522818641325773
Energy: 0.5105107000988891
Energy: 0.6300933717605466
Energy: 0.5360991313713144
Energy: 0.5372880008782807
Energy: 0.5122013453220429
Energy: 0.5400734784531304
Energy: 0.45774713210545975
Energy: 0.4163016808250654
Energy: 0.5540831455322268
Energy: 0.5424419965500834
Energy: 0.39925461817484303
Energy: 0.553900936167771
Energy: 0.43522617990471407
Energy: 0.417889375762217
Energy: 0.5540117155372523
Energy: 0.5534383487447145
Energy: 0.41871754658392946
Energy: 0.55711360997596
Energy: 0.4808027932098784
Energy: 0.6277914920490009
Energy: 0.424034801272391
Energy: 0.4807464922793326
Energy: 0.5401695397373952
Energy: 0.43507970373679017
Energy: 0.49739946841962623
Energy: 0.5272926047998334
Energy: 0.42407433827641444
Energy: 0.4552756206214625
Energy: 0.5284912448270812
Energy: 0.42415773401398155
Energy: 0.4580946761059167
Energy: 0.5259506287693794
Energy: 0.4530135143676806
Energy: 0.4524146793437411
Energy: 0.5034578725411668
Energy: 0.46556652342335214
Energy: 0.47358579653739763
Energy: 0.4189943300591511
Energy: 0.46728480188887583
Energy: 0.46840080609564083
Energy: 0.4180531275773789
Energy: 0.4671959405581675
Energy: 0.4188489135138637
Energy: 0.42235690441510176
Energy: 0.47569155804360347
Energy: 0.47113478421244026
Energy: 0.42274734168330896
Energy: 0.4742516682646507
Energy: 0.47088230474323
Energy: 0.4428732698256835
Energy: 0.4335755392444902
Energy: 0.43523913687744153
Energy: 0.44035195445435393
Energy: 0.4464801608721774
Energy: 0.4354318340289499
Energy: 0.44850066702797753
Energy: 0.40603286970249125
Energy: 0.43652310002062655
Energy: 0.4411771894804499
Energy: 0.40646071547834706
Energy: 0.4356613016994296
Energy: 0.4448586190311787
Energy: 0.4295091949728238
Energy: 0.42960692183450155
Energy: 0.445511730703994
Energy: 0.4293295772603186
Energy: 0.44348684081013007
Energy: 0.4549813608437262
Energy: 0.43218362636057756
Energy: 0.431918439249157
Energy: 0.44097581585213297
Energy: 0.43182671968927605
Energy: 0.4321216532195108
Energy: 0.46338008430091465
Energy: 0.4446629523317532
Energy: 0.4404845153956184
Energy: 0.46371257234565477
Energy: 0.44312818759947836
Energy: 0.4403042805915646
Energy: 0.44128001647645554
Energy: 0.4455634322036305
Energy: 0.43542551401003254
Energy: 0.43550620934112017
Energy: 0.42892902846350645
Energy: 0.43551012422984814
Energy: 0.4735193133915168
Energy: 0.43304099540447616
Energy: 0.43283405204939596
Energy: 0.47394732219132973
Energy: 0.4357424078775626
Energy: 0.4332508754343331
Energy: 0.47454210496299765
Energy: 0.4123173661478491
Energy: 0.44968206346831024
Energy: 0.47531985439300256
Energy: 0.41206186056674804
Energy: 0.46824032657012227
Energy: 0.5997425503898967
Energy: 0.45259642457360005
Energy: 0.452743618497445
Energy: 0.47586121202152604
Energy: 0.4341926617060529
Energy: 0.4530656783967879
Energy: 0.42964160221746955
Energy: 0.5449600606224422
Energy: 0.4617521856786283
Energy: 0.45836886984719327
Energy: 0.5423625616184321
Energy: 0.46255205870205746
Energy: 0.42591797105663415
Energy: 0.5291430607944637
Energy: 0.4536644231906412
Energy: 0.4296516726216219
Energy: 0.5254045096730293
Energy: 0.4461991400345871
Energy: 0.46862206233606774
Energy: 0.48734870156440135
Energy: 0.5130437322166055
Energy: 0.47526480531223897
Energy: 0.5000408351810711
Energy: 0.45620406766863636
Energy: 0.6047017403819119
Energy: 0.43972224807076854
Energy: 0.5101529559367618
Energy: 0.4754103412109587
Energy: 0.436046014421529
Energy: 0.5124903521783667
Energy: 0.6432509782287287
Energy: 0.49805330352207544
Energy: 0.43008311307985214
Energy: 0.4866004381756574
Energy: 0.45189774141212286
Energy: 0.4714209380231735
Energy: 0.4367450777349528
Energy: 0.5299765332008873
Energy: 0.5302890326493002
Energy: 0.4195417073190334
Energy: 0.5312079852417646
Energy: 0.5063168241224122

minimum gb energy = 0.39925461817484303 eV
minimum distance =  2.69475789791512 Angstroms
sigma value = 57


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

Energy: 0.38145394940578087
Energy: 0.6042376724493279
Energy: 0.42567505994249555
Energy: 0.37221612764908674
Energy: 0.607106735283654
Energy: 0.4303831781800138
Energy: 0.5412895605835107
Energy: 0.39026678715050866
Energy: 0.38674731653157346
Energy: 0.49650107701625384
Energy: 0.49228455305786173
Energy: 0.3868387786813838
Energy: 0.5820787101877526
Energy: 0.3712031169740459
Energy: 0.3709680590922551
Energy: 0.49611790908120934
Energy: 0.37122570663007176
Energy: 0.4011568812474076
Energy: 0.49258056889550295
Energy: 0.3709977241258704
Energy: 0.4268439563102844
Energy: 0.4932402591988676
Energy: 0.3743005084176867
Energy: 0.43068993137691197
Energy: 0.4209277622798607
Energy: 0.38970570163963475
Energy: 0.3875232125500037
Energy: 0.42126911555871144
Energy: 0.4118873961623673
Energy: 0.3887457270747076
Energy: 0.37388653530187965
Energy: 0.42695252730175287
Energy: 0.37018408782814693
Energy: 0.3593573584778154
Energy: 0.42446634578190734
Energy: 0.37064079880081346
Energy: 0.3916588877301679
Energy: 0.4289209884215092
Energy: 0.43274011145471486
Energy: 0.3642981839235026
Energy: 0.4283122518199094
Energy: 0.36389594968700734
Energy: 0.5227709099607367
Energy: 0.3565901387251367
Energy: 0.35636340712790926
Energy: 0.37017464430482083
Energy: 0.3565590074466354
Energy: 0.3629794531228678
Energy: 0.3936647973883021
Energy: 0.38450332164817025
Energy: 0.3924886516301426
Energy: 0.39453947852060084
Energy: 0.378210196596691
Energy: 0.39148303837128035
Energy: 0.39119022149459787
Energy: 0.3552607652017324
Energy: 0.36161250147449736
Energy: 0.39130310062530455
Energy: 0.360666418952922
Energy: 0.355374763894386
Energy: 0.3803919721384955
Energy: 0.3768337443169356
Energy: 0.3537086738925241
Energy: 0.3530349966302233
Energy: 0.3861227868543947
Energy: 0.35374120357294797
Energy: 0.394138521485611
Energy: 0.38212307457018635
Energy: 0.38547364754416885
Energy: 0.38528410741514957
Energy: 0.38044069525545926
Energy: 0.3568475511990407
Energy: 0.3773238540401738
Energy: 0.3836965956861083
Energy: 0.36048570748731346
Energy: 0.35610849705078024
Energy: 0.38413140863820355
Energy: 0.36035995576550595
Energy: 0.37774383668540995
Energy: 0.3560469800795409
Energy: 0.37764106884074233
Energy: 0.3787189307623584
Energy: 0.3839751285255572
Energy: 0.38551993073872975
Energy: 0.37676463931758264
Energy: 0.3547744402673169
Energy: 0.35424730597190746
Energy: 0.3769513150569568
Energy: 0.3563268840932325
Energy: 0.353833492486909
Energy: 0.4003739233659648
Energy: 0.4002226976928637
Energy: 0.3592300506568289
Energy: 0.3600283399968918
Energy: 0.39833530269594974
Energy: 0.359092121473897
Energy: 0.37821771989116937
Energy: 0.3983737398359012
Energy: 0.3911689543432473
Energy: 0.3797817032927053
Energy: 0.3959224472791269
Energy: 0.36283667431042527
Energy: 0.3789095913316868
Energy: 0.3708298211679043
Energy: 0.37034746472041963
Energy: 0.3794070800142479
Energy: 0.3695096794576318
Energy: 0.3632101740132729
Energy: 0.42508315726125184
Energy: 0.365655046740924
Energy: 0.39381929572955104
Energy: 0.4262727957566869
Energy: 0.36935895417522757
Energy: 0.4334744885137375
Energy: 0.4868736300001684
Energy: 0.37528537461587624
Energy: 0.37464188320492936
Energy: 0.4119683805774659
Energy: 0.3748175651457035
Energy: 0.3864391792822245
Energy: 0.5451822746154206
Energy: 0.4117160209969087
Energy: 0.37359961058193236
Energy: 0.4115363657465479
Energy: 0.41250662141999245
Energy: 0.38610661640159666
Energy: 0.3772947550645791
Energy: 0.4989592839487239
Energy: 0.40400399887168825
Energy: 0.36494964319672596
Energy: 0.4974049201655896
Energy: 0.38611767462329116
Energy: 0.394300347694356
Energy: 0.4477823366601741
Energy: 0.440817480813226
Energy: 0.39530506743055416
Energy: 0.4937442040149234
Energy: 0.43847053668914326
Energy: 0.5552793706705285
Energy: 0.4138796077802338
Energy: 0.38339275905299525
Energy: 0.41272050571834445
Energy: 0.41966505550509875
Energy: 0.3883527749815434
Energy: 0.5859532533815432
Energy: 0.38359704478287676
Energy: 0.38892018255891087
Energy: 0.4546107438516212
Energy: 0.3865406015721824
Energy: 0.4508762611526175
Energy: 0.5802594773983656
Energy: 0.4283120492468993
Energy: 0.44088836017726263
Energy: 0.49408329716693883
Energy: 0.4640713838555455
Energy: 0.38585513929591014
Energy: 0.38052603694463427
Energy: 0.45063146715154184
Energy: 0.42896645036018816
Energy: 0.3734068168451369
Energy: 0.4495269988397686
Energy: 0.39597921013028087

minimum gb energy = 0.3530349966302233 eV
minimum distance =  2.71624483242773 Angstroms
sigma value = 43


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

Energy: 0.3289034168103997
Energy: 0.4339706481423836
Energy: 0.38424594566945
Energy: 0.32038760117823545
Energy: 0.44358655562713145
Energy: 0.36110934566077213
Energy: 0.4591765228080048
Energy: 0.32620581971816925
Energy: 0.3269887581961147
Energy: 0.3956978731856141
Energy: 0.35748829611995797
Energy: 0.3233972536575807
Energy: 0.4983136943899525
Energy: 0.31213122455962544
Energy: 0.32232956956781145
Energy: 0.39980370916093394
Energy: 0.3114820066541228
Energy: 0.3214741557576835
Energy: 0.4307257265252185
Energy: 0.3215684825639066
Energy: 0.32337754784519324
Energy: 0.3600702661598058
Energy: 0.34883697021603643
Energy: 0.3687751204367739
Energy: 0.3979252714121755
Energy: 0.32585393351242614
Energy: 0.3265077123159217
Energy: 0.3529243045859562
Energy: 0.3835661423996971
Energy: 0.3228732541142432
Energy: 0.3181764507544542
Energy: 0.3781182123898366
Energy: 0.31691065729450085
Energy: 0.3041890745380041
Energy: 0.3777384412008568
Energy: 0.31522254653752735
Energy: 0.4572577521783099
Energy: 0.37806764528305903
Energy: 0.3778323559175285
Energy: 0.3097630992020214
Energy: 0.3816598527908322
Energy: 0.308731346800782
Energy: 0.45266322300307843
Energy: 0.29944542083901016
Energy: 0.3038489735010204
Energy: 0.30809403761265386
Energy: 0.2993552827967848
Energy: 0.30363452539406544
Energy: 0.35040727727801974
Energy: 0.3040049821941854
Energy: 0.34872060789350023
Energy: 0.35121063404307934
Energy: 0.32469020734940407
Energy: 0.3487163454295386
Energy: 0.33956134052443315
Energy: 0.3009962630355989
Energy: 0.3009801326977712
Energy: 0.34903071470995867
Energy: 0.3009203448027186
Energy: 0.3003768336947366
Energy: 0.31560851492878483
Energy: 0.331612194904263
Energy: 0.2987180856046538
Energy: 0.2960928640709934
Energy: 0.33167566829393624
Energy: 0.295715989720701
Energy: 0.35227994007816765
Energy: 0.3315348424501631
Energy: 0.33146774347924474
Energy: 0.29925595265814037
Energy: 0.33624163786378325
Energy: 0.2981976047889089
Energy: 0.4323862738499941
Energy: 0.31287940145381854
Energy: 0.3312778158195658
Energy: 0.33158064397223574
Energy: 0.2953605605793968
Energy: 0.2991885610109268
Energy: 0.3213757296385046
Energy: 0.29725829873459525
Energy: 0.32137808916559246
Energy: 0.32249839254470497
Energy: 0.3169793051575627
Energy: 0.3214715546755856
Energy: 0.32141114922845565
Energy: 0.29494914075240536
Energy: 0.2948918585465018
Energy: 0.3213331307243337
Energy: 0.29370807194854365
Energy: 0.29473496474271715
Energy: 0.3175690301213782
Energy: 0.31667557251021694
Energy: 0.2933738596989718
Energy: 0.29298219631867106
Energy: 0.31670323491641356
Energy: 0.29244909740085495
Energy: 0.32344450437979855
Energy: 0.31669441660374287
Energy: 0.31700597094677646
Energy: 0.31279142059138776
Energy: 0.3165588175552277
Energy: 0.29555800901659796
Energy: 0.31721077618795285
Energy: 0.29497255229597014
Energy: 0.2950344027676097
Energy: 0.3171133622308318
Energy: 0.29651038555370085
Energy: 0.2951996222272198
Energy: 0.3169102751427308
Energy: 0.3099540277984354
Energy: 0.3168932667606186
Energy: 0.31779458002520167
Energy: 0.3525782485044352
Energy: 0.3169341757134307
Energy: 0.31805478889349864
Energy: 0.29861156879122475
Energy: 0.2987637517690675
Energy: 0.31764931156719917
Energy: 0.2998087398703784
Energy: 0.3002315946000678
Energy: 0.33340173891098873
Energy: 0.32131689906824656
Energy: 0.321581137461884
Energy: 0.29815789149641814
Energy: 0.3212691787480686
Energy: 0.2995566441933619
Energy: 0.3178289594065215
Energy: 0.32146553029196867
Energy: 0.3127475073094739
Energy: 0.29428831325587734
Energy: 0.3216817345258189
Energy: 0.2937156633845235
Energy: 0.3316028304834709
Energy: 0.29592524363814243
Energy: 0.2960697140532958
Energy: 0.33146533828360697
Energy: 0.295685221992847
Energy: 0.29578988591260996
Energy: 0.33156000801023733
Energy: 0.3031773207682123
Energy: 0.33132815196153675
Energy: 0.33250197209190263
Energy: 0.3104141925829999
Energy: 0.3313249257770387
Energy: 0.44070906317975495
Energy: 0.31673525188273494
Energy: 0.3219049006438209
Energy: 0.34200111700146174
Energy: 0.2974529765803478
Energy: 0.30552476295296493
Energy: 0.40451708467310465
Energy: 0.34900377735024046
Energy: 0.3487368952361688
Energy: 0.2997791573127181
Energy: 0.3493335686489507
Energy: 0.2991663990534169
Energy: 0.317149772657051
Energy: 0.34864624568507424
Energy: 0.30808955321956955
Energy: 0.2996840560556411
Energy: 0.34874492118171874
Energy: 0.3014378795158042
Energy: 0.35953275979554017
Energy: 0.31069775455447707
Energy: 0.30994649812022634
Energy: 0.36009375840046004
Energy: 0.3334455313581735
Energy: 0.3089477217421545
Energy: 0.3796916113130548
Energy: 0.3124421508657067
Energy: 0.3778405277790651
Energy: 0.38063741490713615
Energy: 0.31803637796876016
Energy: 0.37793616659243034
Energy: 0.46962180735043585
Energy: 0.30620679518305405
Energy: 0.3122877360865666
Energy: 0.35865269455929266
Energy: 0.3055016246647502
Energy: 0.3121045250870862
Energy: 0.4677515190671834
Energy: 0.35735175252676415
Energy: 0.3577862029296064
Energy: 0.3572950032470573
Energy: 0.3582058420470529
Energy: 0.32837040557490726
Energy: 0.3226984284407125
Energy: 0.3934273042758025
Energy: 0.32984145032392126
Energy: 0.3117712135493464
Energy: 0.3981992607092145
Energy: 0.32612082185191577
Energy: 0.42769009753218284
Energy: 0.3584274802438762
Energy: 0.3582985109751595
Energy: 0.36134774027459277
Energy: 0.3605552789640335
Energy: 0.36543197095755164
Energy: 0.469116613859443
Energy: 0.33687200691352875
Energy: 0.334464596596931
Energy: 0.3601218445520841
Energy: 0.31928906329529333
Energy: 0.39680223180437385
Energy: 0.49928456961768236
Energy: 0.32210202630118484
Energy: 0.3386117601609968
Energy: 0.4001902379552021
Energy: 0.3417970041017306
Energy: 0.36373855705335684
Energy: 0.4759070400405527
Energy: 0.3579149738691175
Energy: 0.3586799046348177
Energy: 0.3956982169950858
Energy: 0.39654424788532344
Energy: 0.32432733465920066

minimum gb energy = 0.29244909740085495 eV
minimum distance =  2.74052437158646 Angstroms
sigma value = 81


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

Energy: 0.01821269131402674
Energy: 0.019038239419395014
Energy: 0.018503511195583938
Energy: 0.019636508730597753
Energy: 0.018990112944251826
Energy: 0.018596340210354088
Energy: 0.039780856372307175
Energy: 0.018692880411051008
Energy: 0.01878779690768349
Energy: 0.039913300815516056
Energy: 0.019807052009502973
Energy: 0.019071613710362628
Energy: 0.0389264063377257
Energy: 0.01851659010988852
Energy: 0.018661182746844883
Energy: 0.03888669379627791
Energy: 0.018680666195549565
Energy: 0.03926078384591567
Energy: 0.019635322974767926
Energy: 0.01862415568485238
Energy: 0.018538004800809825
Energy: 0.01996142368750647
Energy: 0.01848105390175901
Energy: 0.03959602051034847
Energy: 0.039254716119292946
Energy: 0.0390473478538801
Energy: 0.03912819956238215
Energy: 0.03993391354462044
Energy: 0.039024672364027464
Energy: 0.03956011629604752
Energy: 0.018811577347108158
Energy: 0.01858850838076422
Energy: 0.01857628335090498
Energy: 0.019842752339435183
Energy: 0.018670691129328957
Energy: 0.01866014562569467
Energy: 0.039934552941458215
Energy: 0.018878207513937845
Energy: 0.018688093982613126
Energy: 0.03884119727295561
Energy: 0.0189531966593628
Energy: 0.018961501758962697
Energy: 0.038892946787010774
Energy: 0.018389975510765502
Energy: 0.018533576295298726
Energy: 0.03905033010391762
Energy: 0.01848025062395728
Energy: 0.0400763738056202
Energy: 0.018918405671965066
Energy: 0.018663070858949228
Energy: 0.04057329391160116
Energy: 0.01948721494217603
Energy: 0.01854502675639167
Energy: 0.0404043356767656
Energy: 0.018772644320972375
Energy: 0.03908736132330186
Energy: 0.03907438903383257
Energy: 0.018580863507913825
Energy: 0.039036022151252875
Energy: 0.039159782854804544

minimum gb energy = 0.01821269131402674 eV
minimum distance =  2.86160044214256 Angstroms
sigma value = 3


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

Energy: 0.38387017847896204
Energy: 0.37182211442238366
Energy: 0.3772041035534031
Energy: 0.356014722721644
Energy: 0.37190817674257265
Energy: 0.3575462789731465
Energy: 0.38650661984289064
Energy: 0.37497179709534467
Energy: 0.3740339882204111
Energy: 0.37413559142196
Energy: 0.3770312533223041
Energy: 0.37773153687763805
Energy: 0.3885713594781374
Energy: 0.3610944321783296
Energy: 0.3610946900298117
Energy: 0.37458131804897266
Energy: 0.3580827041576494
Energy: 0.37106210199317363
Energy: 0.36615028070603695
Energy: 0.3612815720241034
Energy: 0.36098900835025743
Energy: 0.36303423703047344
Energy: 0.32640605629539426
Energy: 0.3709169762547773
Energy: 0.3328791319659757
Energy: 0.3769635047750294
Energy: 0.37838117414933925
Energy: 0.33308584755379456
Energy: 0.3760546105149201
Energy: 0.3784229422113118
Energy: 0.3587605479497881
Energy: 0.37580675700244276
Energy: 0.3682905783017454
Energy: 0.3110970577625697
Energy: 0.3759656408764914
Energy: 0.3494659180926127
Energy: 0.3764962178911901
Energy: 0.33952297253010005
Energy: 0.338908510874997
Energy: 0.375602768178973
Energy: 0.3417341292114434
Energy: 0.376433016051533
Energy: 0.3626251406991501
Energy: 0.3556107941038224
Energy: 0.35571170020169796
Energy: 0.36264872051376934
Energy: 0.33950481129175136
Energy: 0.34269883271748786
Energy: 0.37417217923137086
Energy: 0.3563609746732037
Energy: 0.371073990150811
Energy: 0.37554618938751455
Energy: 0.31337617980252813
Energy: 0.3718235823443386
Energy: 0.3445212737787071
Energy: 0.3403636647901785
Energy: 0.3375624928247709
Energy: 0.3447820325447894
Energy: 0.34111175082913114
Energy: 0.34748147748007296
Energy: 0.35604303259694026
Energy: 0.360196633853983
Energy: 0.3608532651722825
Energy: 0.3020348022322139
Energy: 0.36030125465830937
Energy: 0.34422519348577135
Energy: 0.3203957005955128
Energy: 0.36385147702200255
Energy: 0.36447606349247513
Energy: 0.316734431507111
Energy: 0.3633122982844996
Energy: 0.3163258557992473
Energy: 0.3169615120205143
Energy: 0.3367359425463148
Energy: 0.3479120463347059
Energy: 0.3169928952387545
Energy: 0.2934716898727176
Energy: 0.3184019032988778
Energy: 0.35546600379149895
Energy: 0.3258227625330603
Energy: 0.3493729990550179
Energy: 0.31796964715331755
Energy: 0.3018604321648496
Energy: 0.34941823386553156
Energy: 0.35147237956141925
Energy: 0.3015340952919969
Energy: 0.30121970264782677
Energy: 0.34972078129526696
Energy: 0.30473044882082795
Energy: 0.3010898754090757
Energy: 0.3492416334533305
Energy: 0.34203934620366666
Energy: 0.34143258543355287
Energy: 0.33946569148567207
Energy: 0.34704391124194767
Energy: 0.34153686613393913
Energy: 0.298098672616126
Energy: 0.34127422103619465
Energy: 0.34039894759729333
Energy: 0.29369457485980843
Energy: 0.3423057474251432
Energy: 0.2932503277486012
Energy: 0.29355115049167485
Energy: 0.33709872798957125
Energy: 0.3375135409141088
Energy: 0.2936859406522833
Energy: 0.2949292367909162
Energy: 0.3377530477065611
Energy: 0.3439563222218346
Energy: 0.31598021128227477
Energy: 0.33689897312134515
Energy: 0.31806197935527797
Energy: 0.3145492841420146
Energy: 0.3371399432341709
Energy: 0.3472659969759524
Energy: 0.29335176877101776
Energy: 0.2933226485873189
Energy: 0.3480925406362687
Energy: 0.297417737492116
Energy: 0.29326526872683534
Energy: 0.34717077239930827
Energy: 0.33898322273326537
Energy: 0.3417163452469034
Energy: 0.34686526294985665
Energy: 0.35087056228801333
Energy: 0.34044537857019674
Energy: 0.3043957535616894
Energy: 0.33937347687124886
Energy: 0.3215373436192677
Energy: 0.3034598607913741
Energy: 0.3405147423126095
Energy: 0.3012758752778865
Energy: 0.3012496708286715
Energy: 0.35011473843873103
Energy: 0.3499069490509628
Energy: 0.3012516586108149
Energy: 0.3372025744170327
Energy: 0.3480825524939592
Energy: 0.35221260376462943
Energy: 0.3169559875700746
Energy: 0.3364386834716437
Energy: 0.32476109247149426
Energy: 0.3166457976494885
Energy: 0.34112480895124697
Energy: 0.3652427603771864
Energy: 0.3164854270472562
Energy: 0.3164397417514166
Energy: 0.3666044755240163
Energy: 0.32052871513800296
Energy: 0.3164659853119579
Energy: 0.36301833768531494
Energy: 0.35098258067512933
Energy: 0.35125416741015497
Energy: 0.36331760557053994
Energy: 0.33702095656505365
Energy: 0.3604822242508714
Energy: 0.34040231186360526
Energy: 0.3509446734535092
Energy: 0.3512448342650325
Energy: 0.3406845057138239
Energy: 0.36457033244716425
Energy: 0.3379972726657765
Energy: 0.32402781461944574
Energy: 0.33358207064848705
Energy: 0.3809289425080105
Energy: 0.3238762752971136
Energy: 0.3342786335169453
Energy: 0.3757092120359027
Energy: 0.35891303597045393
Energy: 0.3631501566599172
Energy: 0.3576871388875832
Energy: 0.30528170213449113
Energy: 0.3630817481676253
Energy: 0.3469227801062906
Energy: 0.3391563616843823
Energy: 0.37022808013159164
Energy: 0.36348468902257425
Energy: 0.3392635222451124
Energy: 0.3663620438361894
Energy: 0.36997169523553325
Energy: 0.36453822336120384
Energy: 0.35974368063210416
Energy: 0.3592375221416888
Energy: 0.3646150676581888
Energy: 0.3277380315721303
Energy: 0.35944173709932986
Energy: 0.3874291794323883
Energy: 0.33736039533030887
Energy: 0.37733256363375134
Energy: 0.37430407932737053
Energy: 0.3198002104763814
Energy: 0.39353494705983455
Energy: 0.3405741485447533
Energy: 0.36288380867502434
Energy: 0.3623185675435457
Energy: 0.3405595740589438
Energy: 0.36654263250698005
Energy: 0.35819368817554553

minimum gb energy = 0.2932503277486012 eV
minimum distance =  2.70560466714241 Angstroms
sigma value = 67


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

Energy: 0.4631413922939445
Energy: 0.4598236329547828
Energy: 0.45562550646086714
Energy: 0.38937879347036514
Energy: 0.4583800722864497
Energy: 0.4576551357566437
Energy: 0.47531777474390224
Energy: 0.4569183062172791
Energy: 0.45833593938072575
Energy: 0.4565557304685341
Energy: 0.4571796600844263
Energy: 0.42274797058598834
Energy: 0.469885050110489
Energy: 0.4423947685752176
Energy: 0.45223436947350826
Energy: 0.4556532418126109
Energy: 0.44302555113674125
Energy: 0.4503219373421406
Energy: 0.4369822340632356
Energy: 0.4522725218582552
Energy: 0.45061904728692337
Energy: 0.4377906999213644
Energy: 0.45047615120546775
Energy: 0.4518937177330607
Energy: 0.43096280969490086
Energy: 0.45684830345110217
Energy: 0.4202891324227579
Energy: 0.4312128154913202
Energy: 0.45987861939485997
Energy: 0.42250149921314795
Energy: 0.4365822234389205
Energy: 0.4520675670582823
Energy: 0.4449309641755854
Energy: 0.40178712508456654
Energy: 0.4519754683803964
Energy: 0.44360276524949754
Energy: 0.439285749412756
Energy: 0.43858686940617364
Energy: 0.4021288949622603
Energy: 0.43961712650193996
Energy: 0.43764512855048954
Energy: 0.40427795499831914
Energy: 0.43853921527571543
Energy: 0.43202273219961873
Energy: 0.4364275577027948
Energy: 0.4379670313409212
Energy: 0.38201280445027314
Energy: 0.43486428469222316
Energy: 0.44491960150984644
Energy: 0.45028201304397
Energy: 0.4518492643544592
Energy: 0.44814936150444373
Energy: 0.40105143835522183
Energy: 0.45054186820796105
Energy: 0.44954703861908535
Energy: 0.40423514540682914
Energy: 0.4007970645767724
Energy: 0.44932459122146157
Energy: 0.4022628393281092
Energy: 0.4016024052859787
Energy: 0.4434325054710985
Energy: 0.4373386186062835
Energy: 0.4366863424596203
Energy: 0.38221013270189524
Energy: 0.4341076309863495
Energy: 0.4376246602900152
Energy: 0.38518925363100864
Energy: 0.4355820255888615
Energy: 0.4354228698698447
Energy: 0.38590648059293825
Energy: 0.40384194684484015
Energy: 0.38123909442920045
Energy: 0.3875067430877436
Energy: 0.43206103303655524
Energy: 0.4307549093617596
Energy: 0.3881913374320983
Energy: 0.383730504807444
Energy: 0.3812925411766107
Energy: 0.4320836284538644
Energy: 0.4320000176793169
Energy: 0.43017381021704787
Energy: 0.3823880894448491
Energy: 0.41004129915001275
Energy: 0.42978446290002176
Energy: 0.4344686298367519
Energy: 0.3843556736818833
Energy: 0.3872316974395305
Energy: 0.43491217726855425
Energy: 0.38304473566320807
Energy: 0.38137576836388454
Energy: 0.43474242924941875
Energy: 0.43837193716860956
Energy: 0.4364400461043577
Energy: 0.413881027288026
Energy: 0.41569503173275435
Energy: 0.4345816281414143
Energy: 0.40549068478049366
Energy: 0.4317239278800114
Energy: 0.4290073798377006
Energy: 0.4060586881739403
Energy: 0.37764617852888627
Energy: 0.4008453739217137
Energy: 0.404983203825978
Energy: 0.4490880481982712
Energy: 0.4502498503264521
Energy: 0.4012915883063601
Energy: 0.40398716990534117
Energy: 0.4019140484261942
Energy: 0.4321834081565147
Energy: 0.44605217406027453
Energy: 0.44007880147851663
Energy: 0.38856810582464635
Energy: 0.4460788020021256
Energy: 0.4399636935131157
Energy: 0.4007356217367051
Energy: 0.43643809720246785
Energy: 0.40568336080671474
Energy: 0.4423210670013893
Energy: 0.43609933338960216
Energy: 0.4048692492332005
Energy: 0.43673074410591706
Energy: 0.4421768463906617
Energy: 0.45222749439602206
Energy: 0.4373283219885365
Energy: 0.4377273215684677
Energy: 0.4540289134083524
Energy: 0.4692346051046608
Energy: 0.43610308435234335
Energy: 0.3879340047917873
Energy: 0.4561425482050446
Energy: 0.43582446662040575
Energy: 0.45223263421945287
Energy: 0.4464128117429137
Energy: 0.4379605604959265
Energy: 0.44064758182688674
Energy: 0.4467098340686809
Energy: 0.43640267524542203
Energy: 0.40487752881734573

minimum gb energy = 0.37764617852888627 eV
minimum distance =  2.69439149157188 Angstroms
sigma value = 33


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

Energy: 0.539614313491965
Energy: 0.5261180236425927
Energy: 0.5386238183343283
Energy: 0.5100291688510181
Energy: 0.5260904921087853
Energy: 0.5170694023781497
Energy: 0.5453830918384597
Energy: 0.48153138630014236
Energy: 0.4812194024193008
Energy: 0.47969213843563874
Energy: 0.48142484446573036
Energy: 0.44801076651832955
Energy: 0.537569714461402
Energy: 0.4474042869187234
Energy: 0.48050873105479225
Energy: 0.48525635992321875
Energy: 0.4804464231354822
Energy: 0.4786005852736847
Energy: 0.4810984377589471
Energy: 0.4998730532628371
Energy: 0.47943827677416445
Energy: 0.4810555660776182
Energy: 0.4451720658297895
Energy: 0.4784940790055914
Energy: 0.4809321330889218
Energy: 0.48138339293618837
Energy: 0.44676758488091556
Energy: 0.48099907939807407
Energy: 0.48122931248104206
Energy: 0.44790685750769377
Energy: 0.48125594462559046
Energy: 0.44478777594212904
Energy: 0.4444217045104009
Energy: 0.4446718215346482
Energy: 0.44398727267083593
Energy: 0.44560661363776816
Energy: 0.4807643652767596
Energy: 0.443365180401821
Energy: 0.4435932122632
Energy: 0.4809221884106899
Energy: 0.44353725420252244
Energy: 0.4471963303926661
Energy: 0.4818197340629637
Energy: 0.44172919092356033
Energy: 0.451470482268109
Energy: 0.4817984117835863
Energy: 0.44518071298509276
Energy: 0.4480884331899034
Energy: 0.47079256920384027
Energy: 0.45159866253734193
Energy: 0.5067340842338992
Energy: 0.4483896903317473
Energy: 0.44299618280250924
Energy: 0.5041019931206492
Energy: 0.4980819061954063
Energy: 0.4461184880826178
Energy: 0.442474656581609
Energy: 0.46998745045417867
Energy: 0.44322564979833406
Energy: 0.44255117445247194
Energy: 0.4698571059439678
Energy: 0.444229478618684
Energy: 0.4942157970573212
Energy: 0.44424963122686323
Energy: 0.47053760817629586
Energy: 0.49365268845004945
Energy: 0.4418461807779631
Energy: 0.4433633097316025
Energy: 0.44383882758209814
Energy: 0.44193110316707424
Energy: 0.4526734123114322
Energy: 0.4422285995616522
Energy: 0.4420025595162206
Energy: 0.4480649716325178
Energy: 0.5045143397244104
Energy: 0.44212797403913556
Energy: 0.4482712894633776
Energy: 0.4422791411681076
Energy: 0.4298308027567235
Energy: 0.44645494010862324
Energy: 0.4479455540229115
Energy: 0.4326602655835466
Energy: 0.4717268320703272
Energy: 0.491509356628264
Energy: 0.4309859460918209
Energy: 0.48452341117168835
Energy: 0.44962065166276804
Energy: 0.4314270519734003
Energy: 0.48257868861976866
Energy: 0.44895714925215674
Energy: 0.4484427384060129
Energy: 0.4302314844129589
Energy: 0.4301240163259139
Energy: 0.4484709408628356
Energy: 0.4518224845228111
Energy: 0.44702624831516546
Energy: 0.5662361579061133
Energy: 0.45207354839647906
Energy: 0.4721022428425599
Energy: 0.5668830904675314
Energy: 0.45511745118795643
Energy: 0.431180566510746
Energy: 0.5485814767010193
Energy: 0.48443213186304374
Energy: 0.4834494741190263
Energy: 0.4794816348338223
Energy: 0.48400919401558423
Energy: 0.5215697133501489
Energy: 0.505957306717182
Energy: 0.48429130826250627
Energy: 0.5214342125727287
Energy: 0.455724049912405
Energy: 0.4843527549963727
Energy: 0.4295857620101888
Energy: 0.5044074947425646
Energy: 0.481713344116296
Energy: 0.48145554510889366
Energy: 0.5046528772499537
Energy: 0.48170150057093725
Energy: 0.44751346359815514
Energy: 0.5377726538984439
Energy: 0.4630432508893628
Energy: 0.4466383426868617
Energy: 0.4848824207165183
Energy: 0.4416076772001234
Energy: 0.4447979016708945
Energy: 0.48530867557101814
Energy: 0.44769547606882887
Energy: 0.481367046078927
Energy: 0.48449210441204277
Energy: 0.4466195201079378
Energy: 0.4826857570312442
Energy: 0.4808785139981577
Energy: 0.4814244143529816
Energy: 0.44713050651964864
Energy: 0.48107598357914827
Energy: 0.4814610040620652
Energy: 0.447859064293686
Energy: 0.48138927970753986
Energy: 0.44304854292222345
Energy: 0.4434279181990373
Energy: 0.4427922532777945
Energy: 0.4427594861141286
Energy: 0.4450092099087909
Energy: 0.4806792839898487
Energy: 0.4436386293909645
Energy: 0.4437912737128278
Energy: 0.4808561339852082
Energy: 0.44377585742659653
Energy: 0.442214322448799
Energy: 0.48541620402806335
Energy: 0.44193465464820936
Energy: 0.44691076721498224
Energy: 0.482287583181217
Energy: 0.44456372070333744
Energy: 0.4486872402717464
Energy: 0.4703597224606212
Energy: 0.4431667033512791
Energy: 0.507378714119411
Energy: 0.4704330729882932
Energy: 0.44376016659650336
Energy: 0.5047289938715308
Energy: 0.4700284565304546
Energy: 0.4427068235348598
Energy: 0.44253987132148137
Energy: 0.4701423926287674
Energy: 0.4435636013782789
Energy: 0.4425010745119423
Energy: 0.46918035594558627
Energy: 0.47056182790318224
Energy: 0.4672175838607215
Energy: 0.44493650629063547
Energy: 0.4718006066449426
Energy: 0.49463757376822637
Energy: 0.4419683399214101
Energy: 0.44283590339636036
Energy: 0.4446500603700768
Energy: 0.44201601608742624
Energy: 0.45365272865118733
Energy: 0.4423383282253794
Energy: 0.4452085449602381
Energy: 0.44841384888576474
Energy: 0.44241626006179297
Energy: 0.44597063499116185
Energy: 0.4482265263774698
Energy: 0.44243929839491486
Energy: 0.4305740099187497
Energy: 0.4469107356529058
Energy: 0.44795385662164683
Energy: 0.4326076710611934
Energy: 0.4699652666464639
Energy: 0.4924710783260816
Energy: 0.43109446421618663
Energy: 0.4849937127497541
Energy: 0.44894887312528353
Energy: 0.432556908974583
Energy: 0.4836225912125128
Energy: 0.44889892635775464
Energy: 0.44828964830477386
Energy: 0.494327540942285
Energy: 0.44949574963626704
Energy: 0.44827581063696126
Energy: 0.45195156009026594
Energy: 0.4471386652417771
Energy: 0.5673920155000886
Energy: 0.4521759819923431
Energy: 0.43263883781569745
Energy: 0.5674113637111455
Energy: 0.4335072784279983
Energy: 0.430811458539549
Energy: 0.5474977072895362
Energy: 0.4809199737751589
Energy: 0.4808864516926812
Energy: 0.4797378577940841
Energy: 0.4839772934079758
Energy: 0.4480162470319422
Energy: 0.5058665976827059
Energy: 0.48533633660757824
Energy: 0.5194616661345489
Energy: 0.4541058330524069
Energy: 0.48503552281592766
Energy: 0.43008689541881223

minimum gb energy = 0.4295857620101888 eV
minimum distance =  2.70038018521788 Angstroms
sigma value = 41


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

Energy: 0.5872259186305621
Energy: 0.5451395382126187
Energy: 0.5892116285943433
Energy: 0.5173263677760048
Energy: 0.5452324131447942
Energy: 0.5898655554668092
Energy: 0.6283051162398888
Energy: 0.5482456293705131
Energy: 0.5485905600747112
Energy: 0.5466343733238098
Energy: 0.5481435869385846
Energy: 0.5268121961248017
Energy: 0.620309547345094
Energy: 0.5165722735141454
Energy: 0.5149368218963106
Energy: 0.6204956222276833
Energy: 0.5373521883392276
Energy: 0.5442067245876027
Energy: 0.5490320058141062
Energy: 0.5163789517926146
Energy: 0.5154260607305619
Energy: 0.5494066475037488
Energy: 0.5176295772300792
Energy: 0.5372549103961549
Energy: 0.5365337227535845
Energy: 0.548404430724114
Energy: 0.5493386768046447
Energy: 0.5366712912654978
Energy: 0.5479152326489731
Energy: 0.5275625502106337
Energy: 0.5524434293332968
Energy: 0.5701829925335014
Energy: 0.5265109316064551
Energy: 0.5184031488592411
Energy: 0.5685016724624825
Energy: 0.5160490119022308
Energy: 0.5359079944340069
Energy: 0.5268112198561652
Energy: 0.5256988453244219
Energy: 0.5359448884156301
Energy: 0.5179991626256296
Energy: 0.5180835666539073
Energy: 0.5379398843731692
Energy: 0.5166667769521897
Energy: 0.5167813657287265
Energy: 0.5387126246617938
Energy: 0.5188415293925104
Energy: 0.5365037005996891
Energy: 0.5783160339251373
Energy: 0.5169711314587733
Energy: 0.5162420969000985
Energy: 0.5807140905477011
Energy: 0.5549993860640076
Energy: 0.5160761367346282
Energy: 0.55213892291349
Energy: 0.5396799606043354
Energy: 0.536011712589181
Energy: 0.5447883842867483
Energy: 0.5367969261039067
Energy: 0.5159538238931397
Energy: 0.5460209564476726
Energy: 0.5378651312201186
Energy: 0.5188191029982772
Energy: 0.5170100893160603
Energy: 0.5061498855597188
Energy: 0.5182223680572933
Energy: 0.6171914982150533
Energy: 0.5060017792246312
Energy: 0.5062884505386097
Energy: 0.6176203823980446
Energy: 0.5062143960192725
Energy: 0.5474742042044828
Energy: 0.634107177650679
Energy: 0.5371990956032405
Energy: 0.546588725566705
Energy: 0.5465969080672753
Energy: 0.5389063244238275
Energy: 0.5274907906741464
Energy: 0.5055203527391582
Energy: 0.5457061983000576
Energy: 0.5067069041089386
Energy: 0.5089404961843269
Energy: 0.5458436370446185
Energy: 0.5067515974834585

minimum gb energy = 0.5055203527391582 eV
minimum distance =  2.70959416271205 Angstroms
sigma value = 11


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

Energy: 0.6366577707621195
Energy: 0.6313510639213691
Energy: 0.6311789351273708
Energy: 0.6297675702918896
Energy: 0.6301579951295545
Energy: 0.610924226719728
Energy: 0.7065377452556194
Energy: 0.6002202156669114
Energy: 0.6002822045304971
Energy: 0.6318997943908573
Energy: 0.6007095270692812
Energy: 0.5991369823075321
Energy: 0.7248991494409613
Energy: 0.6094091982530518
Energy: 0.609567524697472
Energy: 0.7255795390389905
Energy: 0.5944965906010062
Energy: 0.6099292628908738
Energy: 0.6224112784267223
Energy: 0.593787448046454
Energy: 0.6111128074086359
Energy: 0.6127141951651384
Energy: 0.5995403040698831
Energy: 0.6107895226939368
Energy: 0.6307003571815966
Energy: 0.6001626713986346
Energy: 0.6000582587684634
Energy: 0.6087227327556568
Energy: 0.6002071337677652
Energy: 0.602866388618379
Energy: 0.6300870526282963
Energy: 0.6124269581698147
Energy: 0.5996182400728962
Energy: 0.601297077448573
Energy: 0.6123216900209846
Energy: 0.6126882668032989
Energy: 0.6124745467411786
Energy: 0.6133871659620052
Energy: 0.6135454858773096
Energy: 0.6125269607120344
Energy: 0.611113307556114
Energy: 0.608760630856855
Energy: 0.6151138803448992
Energy: 0.6075566019034849
Energy: 0.603716923981689
Energy: 0.6011590428451026
Energy: 0.6304932151986735
Energy: 0.6006378340726892
Energy: 0.6111902474082398
Energy: 0.6200432721570447
Energy: 0.6102611800007841
Energy: 0.5948848081051746
Energy: 0.6038524817705233
Energy: 0.5978748355521432
Energy: 0.6103988387287471
Energy: 0.6199263630307573
Energy: 0.6112693272732881
Energy: 0.5956743699838314
Energy: 0.6083468940115212
Energy: 0.5966541839864304
Energy: 0.6121981489724045
Energy: 0.6052420123077548
Energy: 0.6004378766404009
Energy: 0.6004571843064036
Energy: 0.6070504026900705
Energy: 0.6005010998963751
Energy: 0.6022937651468016
Energy: 0.6116369115701518
Energy: 0.6116919951943234
Energy: 0.6025642512009373
Energy: 0.6154041125168467
Energy: 0.6197450835502536
Energy: 0.5999817544491846
Energy: 0.6113098783410194
Energy: 0.6053157985211938
Energy: 0.5999958556715701
Energy: 0.6329504307609589
Energy: 0.5993920071369633
Energy: 0.6114200805732397
Energy: 0.6406609410848142
Energy: 0.6141912224881232
Energy: 0.5980100894276817
Energy: 0.6125352105229104
Energy: 0.6134817804040011
Energy: 0.5944339831835534
Energy: 0.6052179533784167
Energy: 0.63188786437202
Energy: 0.5946300443825097
Energy: 0.6063257597816639
Energy: 0.5946132512660388
Energy: 0.5948442490772383
Energy: 0.6054193126779356
Energy: 0.5948337861988201
Energy: 0.5957210280651496
Energy: 0.6063779120090204
Energy: 0.594624661952022
Energy: 0.5942316014175751
Energy: 0.6131920334981726
Energy: 0.6274130467653406
Energy: 0.5944074285615968
Energy: 0.6086834519233673
Energy: 0.5985270548435595
Energy: 0.6124692434055872
Energy: 0.6144541749907327
Energy: 0.635610765393606
Energy: 0.6074146448749569
Energy: 0.6557818663182909
Energy: 0.6130390656997526
Energy: 0.6072184604790195
Energy: 0.6021823682837512
Energy: 0.601967499368385
Energy: 0.6073898832837802
Energy: 0.6085879627633646
Energy: 0.6157180842530325
Energy: 0.6221114134124913
Energy: 0.5978760908390605
Energy: 0.5960024446779281
Energy: 0.6073666232090276
Energy: 0.5957929915508279
Energy: 0.6109619258357454
Energy: 0.6585350944451326
Energy: 0.5952369212534294
Energy: 0.5964866752127531
Energy: 0.6075466440092736
Energy: 0.6104320970721596
Energy: 0.6031675387800053
Energy: 0.6081449954978078
Energy: 0.6016510567701558
Energy: 0.601389697631459
Energy: 0.5987993288923518
Energy: 0.6056704653097847
Energy: 0.6007518532225754
Energy: 0.6173206620234885
Energy: 0.6174194977030578
Energy: 0.6138246195949548
Energy: 0.5968738310562687
Energy: 0.6077179941173909
Energy: 0.6138127700460742
Energy: 0.6420712744643494
Energy: 0.607470193638478
Energy: 0.6144540519665086
Energy: 0.608532404803722
Energy: 0.6078340261996314
Energy: 0.6018284896079272
Energy: 0.6542650308711812
Energy: 0.6126094031875936
Energy: 0.6128466510741193
Energy: 0.6550608158323106
Energy: 0.6030716890506086
Energy: 0.6097128271043504
Energy: 0.6332373920794871
Energy: 0.5983013616835772
Energy: 0.5992313391207269
Energy: 0.6089238703542152
Energy: 0.594661141057014
Energy: 0.5946571461980588
Energy: 0.6576226287236929
Energy: 0.5941648252607704
Energy: 0.594489703819308
Energy: 0.6063572382417011
Energy: 0.596018376233852
Energy: 0.5945968830011534
Energy: 0.6332510550117456
Energy: 0.6051598703025468
Energy: 0.5950701156163977
Energy: 0.6126478839724581
Energy: 0.5946007527143785
Energy: 0.6311930822649339
Energy: 0.6434695490920688
Energy: 0.6103525330547961
Energy: 0.6109008800841389
Energy: 0.6251767481469527
Energy: 0.6054866497470797
Energy: 0.5958485569915656
Energy: 0.7058433270349652
Energy: 0.599855211042916
Energy: 0.6008178878557879
Energy: 0.6347228895010051
Energy: 0.5998471160110528
Energy: 0.6191318085630302
Energy: 0.6276362481145168
Energy: 0.6041193053807952
Energy: 0.6101859401757623
Energy: 0.598844838703678
Energy: 0.6034015089706876
Energy: 0.6117932099252632

minimum gb energy = 0.593787448046454 eV
minimum distance =  2.70794867753083 Angstroms
sigma value = 57


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

Energy: 0.8697256376852849
Energy: 0.6108619061438382
Energy: 0.6924357529078747
Energy: 0.6896724056804026
Energy: 0.9143489165044311
Energy: 0.691356275927043
Energy: 0.6707023828553893
Energy: 0.5962045698343511
Energy: 0.5976405198575817
Energy: 0.6148303630483499
Energy: 0.6116867395534101
Energy: 0.5971126335464078
Energy: 0.6429884849055428
Energy: 0.6288497425149691
Energy: 0.6046165384773613
Energy: 0.643179541489698
Energy: 0.6074164711426879
Energy: 0.6117534097948992
Energy: 0.6070968300541888
Energy: 0.5970883667426293
Energy: 0.5960530667656927
Energy: 0.6078164101357698
Energy: 0.6076164660063551
Energy: 0.5962952948428378
Energy: 0.6115066641603464
Energy: 0.6100516896705417
Energy: 0.5986397753949256
Energy: 0.6092876774722336
Energy: 0.6084848787626553
Energy: 0.596272657750249
Energy: 0.6087160671029607
Energy: 0.6436031696045662
Energy: 0.6111107510216708
Energy: 0.6107666141630351
Energy: 0.6435835315721148
Energy: 0.611362927464894
Energy: 0.6427187327979224
Energy: 0.6276175349773931
Energy: 0.6315079581220714
Energy: 0.6434807738652696
Energy: 0.6241998774370874
Energy: 0.6120791071152902
Energy: 0.6723836844751088
Energy: 0.6102802677341637
Energy: 0.597502428378897
Energy: 0.6104904561645305
Energy: 0.6093990693554177
Energy: 0.5965988959316321
Energy: 0.6157689241071543
Energy: 0.608836322046578
Energy: 0.6271745148064947
Energy: 0.5839083313911018
Energy: 0.6066456831758038
Energy: 0.5853571514497238
Energy: 0.6166201964825957
Energy: 0.6080872306338673
Energy: 0.6275324803816034
Energy: 0.5866750541643017
Energy: 0.6432630466711633
Energy: 0.584574458127334
Energy: 0.6719174853441897
Energy: 0.610670529653202
Energy: 0.5993711057342476
Energy: 0.6104794349758328
Energy: 0.6152872187734433
Energy: 0.5964672667417533
Energy: 0.6360638305609534
Energy: 0.6261084113211883
Energy: 0.607737670277541
Energy: 0.6366996135751833
Energy: 0.6302192492508787
Energy: 0.6097636825972003
Energy: 0.6134995218124921
Energy: 0.5962232511388036
Energy: 0.5970462906780876
Energy: 0.613351463721258
Energy: 0.6124185204153454
Energy: 0.5961300624367122
Energy: 0.6077688009192385
Energy: 0.6449895575650678
Energy: 0.6076047243039875
Energy: 0.6147414427075016
Energy: 0.6432693129476088
Energy: 0.6083059950508117
Energy: 0.612902138413702
Energy: 0.6255429770923482
Energy: 0.5973823301939296
Energy: 0.6104413202976556
Energy: 0.6250124867133013
Energy: 0.5964539370625089
Energy: 0.6471357506013503
Energy: 0.6258946126237829
Energy: 0.585231138381723
Energy: 0.6439602419028428
Energy: 0.6252721187149444
Energy: 0.611711981939047
Energy: 0.5842193467980036
Energy: 0.5961549756820941
Energy: 0.5978547787651596
Energy: 0.5844106176713152
Energy: 0.6120336693560625
Energy: 0.5967851558180995

minimum gb energy = 0.5839083313911018 eV
minimum distance =  2.70544276370327 Angstroms
sigma value = 9


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

Energy: 1.053529161594851
Energy: 0.6748061282816364
Energy: 0.6400643063958145
Energy: 0.6301114786966432
Energy: 0.653764602171532
Energy: 0.7138073336085231
Energy: 0.7011588614303524
Energy: 0.6546206864684946
Energy: 0.6414026875274469
Energy: 0.6392744005566062
Energy: 0.6408097178581197
Energy: 0.6430151214225134
Energy: 0.6404215754832215
Energy: 0.6404016664037538
Energy: 0.6192505366932471
Energy: 0.640835281147958
Energy: 0.639302441095302
Energy: 0.6197424629835995
Energy: 0.6335696582710918
Energy: 0.6399422267834467
Energy: 0.6563404114767494
Energy: 0.6339365959524504
Energy: 0.6389599498501651
Energy: 0.6412912970928267
Energy: 0.6739263397718932
Energy: 0.618551508774417
Energy: 0.6198020648496976
Energy: 0.6155932827382039
Energy: 0.6410954932927265
Energy: 0.6154195605586564
Energy: 0.648168757051699
Energy: 0.6485394362988973
Energy: 0.6471840774089505
Energy: 0.648736493041128
Energy: 0.6437407853999688
Energy: 0.6470008026593301
Energy: 0.6278966263321346
Energy: 0.6463759395497304
Energy: 0.6287188722956173
Energy: 0.6282983530754898
Energy: 0.648939091674044
Energy: 0.6354810449105439
Energy: 0.651138878547987
Energy: 0.6448812593142094
Energy: 0.634826223597128
Energy: 0.6299013119946414
Energy: 0.6457598390224252
Energy: 0.649956314988913
Energy: 0.6696581257045583
Energy: 0.6312136946389807
Energy: 0.6201301121677883
Energy: 0.6519393887748824
Energy: 0.6389776772426783
Energy: 0.6428637623943664
Energy: 0.654798131158918
Energy: 0.6316204977641138
Energy: 0.6213996363221322
Energy: 0.6521580005676381
Energy: 0.629204315971258
Energy: 0.6158235373209957
Energy: 0.6511315037973853
Energy: 0.6342729279768606
Energy: 0.6161078121223259
Energy: 0.6372873605399102
Energy: 0.6496303663463622
Energy: 0.6157704983923104
Energy: 0.6512228897879246
Energy: 0.6413618461624446
Energy: 0.6421705231840179
Energy: 0.6410155066734963
Energy: 0.6399789092063157
Energy: 0.64263774533294
Energy: 0.6736652844203833
Energy: 0.6386772952826635
Energy: 0.6422798404623895
Energy: 0.6557878818792464
Energy: 0.636144253230242
Energy: 0.6467885561036714
Energy: 0.6568334943577667
Energy: 0.6396071894689384
Energy: 0.6404256793247337
Energy: 0.6296157617675717
Energy: 0.616339820743564
Energy: 0.6416783756120229
Energy: 0.6511347580389827
Energy: 0.6152700346893858
Energy: 0.6158827921403018
Energy: 0.6516691191387095
Energy: 0.6154828120922036
Energy: 0.6151541161034179
Energy: 0.6407014286246815
Energy: 0.6421628123000559
Energy: 0.6147309085556584
Energy: 0.641277368313363
Energy: 0.6393440361057467
Energy: 0.6205501831707961
Energy: 0.6479588254397164
Energy: 0.6400449922324221
Energy: 0.6558302706696791
Energy: 0.648349559075476
Energy: 0.6395599986872685
Energy: 0.6410008996364956
Energy: 0.7429642042988797
Energy: 0.6280556882124507
Energy: 0.6164843799470816
Energy: 0.6180298723010863
Energy: 0.6433397754593895
Energy: 0.616499585486462
Energy: 0.6407599156928387
Energy: 0.6425357203585139
Energy: 0.6422529045308871
Energy: 0.6409305033134007
Energy: 0.630697116564992
Energy: 0.6423717012661353
Energy: 0.6406066789993655
Energy: 0.6423432056143553
Energy: 0.6411270381588384
Energy: 0.6409978563420925
Energy: 0.6520479124419497
Energy: 0.6417012617202081
Energy: 0.6440663129396875
Energy: 0.6451802150671316
Energy: 0.6289297192324168
Energy: 0.6454366335208437
Energy: 0.6435800778466664
Energy: 0.6154497589391081

minimum gb energy = 0.6147309085556584 eV
minimum distance =  2.70779207825156 Angstroms
sigma value = 27


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

Energy: 0.626842521635943
Energy: 0.9124211503210806
Energy: 0.5988892231977196
Energy: 0.5982266876384302
Energy: 0.9094661141813062
Energy: 0.5995578471406315
Energy: 0.5964234331117007
Energy: 0.5936100281739847
Energy: 0.5943763099423794
Energy: 0.6062801749956345
Energy: 0.592829395291157
Energy: 0.6011544731697033
Energy: 0.6202967010000122
Energy: 0.6039929522340899
Energy: 0.6016130247880312
Energy: 0.6102273450630232
Energy: 0.6027442491175766
Energy: 0.6013357467301138
Energy: 0.5944725109789196
Energy: 0.6051000081395304
Energy: 0.5946868101739655
Energy: 0.5942626265112833
Energy: 0.6047445603892387
Energy: 0.5944934022611986
Energy: 0.6418931257076678
Energy: 0.5950068064447429
Energy: 0.5957721199784293
Energy: 0.5987724854680857
Energy: 0.5988100204208698
Energy: 0.6065948091686839
Energy: 0.6173826888837338
Energy: 0.6044274702985989
Energy: 0.6020410004934701
Energy: 0.605748662459435
Energy: 0.6050811716459166
Energy: 0.6019989798824996
Energy: 0.5940557817763332
Energy: 0.6039782486354388
Energy: 0.6008673227197527
Energy: 0.5945220552317405
Energy: 0.5984822884568529
Energy: 0.5997942383712568
Energy: 0.595372775158554
Energy: 0.6163277904769751
Energy: 0.5920408669659014
Energy: 0.5956431895247944
Energy: 0.6263492177148996
Energy: 0.5946767659844596
Energy: 0.7123813487306545
Energy: 0.5965875193217199
Energy: 0.6029936459484891
Energy: 0.5935614232186414
Energy: 0.5966196437588406
Energy: 0.6014542363934009
Energy: 0.6520094781056328
Energy: 0.5954892458105936
Energy: 0.5926657081616266
Energy: 0.592988836082211
Energy: 0.5936910114317503
Energy: 0.5938088390563343
Energy: 0.5956219932270302
Energy: 0.5903509443880351
Energy: 0.5992824497074457
Energy: 0.5956350287428528
Energy: 0.5977750553186522
Energy: 0.5961229515832214
Energy: 0.5953649196771982
Energy: 0.6050503865519022
Energy: 0.6043609022893216
Energy: 0.5931217737369192
Energy: 0.6047224093580061
Energy: 0.6012674927575677
Energy: 0.6311747124349353
Energy: 0.5961731254613777
Energy: 0.5866515144088977
Energy: 0.5986438455783446
Energy: 0.5938541218341017
Energy: 0.5991553085194319
Energy: 0.628579821484766
Energy: 0.5943273976374647
Energy: 0.5935114071725335
Energy: 0.6009061967629423
Energy: 0.5965505056370259
Energy: 0.5864672009273741
Energy: 0.597113286682572
Energy: 0.5925331353750065
Energy: 0.5940564183715035
Energy: 0.5975792819915041
Energy: 0.5911617409277417
Energy: 0.5935610330591503
Energy: 0.5927786722777368
Energy: 0.6040157663317912
Energy: 0.6013160707241453
Energy: 0.6058425177308412
Energy: 0.6037390270692073
Energy: 0.6025465672629267
Energy: 0.6112891734970807
Energy: 0.5937361657008708
Energy: 0.5949338568456554
Energy: 0.5969567283353532
Energy: 0.5936678839166573
Energy: 0.5931573689836611
Energy: 0.6189851787341939
Energy: 0.5940702292629273
Energy: 0.5958005238661023
Energy: 0.6054220988892083
Energy: 0.5967311920473927
Energy: 0.6003962633192492
Energy: 0.5918974785813744
Energy: 0.599440918079562
Energy: 0.6003998456512978
Energy: 0.5925139521728248
Energy: 0.5988215052052246
Energy: 0.5933501940239396
Energy: 0.5964581321020608
Energy: 0.5991710044812102
Energy: 0.600121752019394
Energy: 0.5972083930214205
Energy: 0.5989470974547584
Energy: 0.593505694712091
Energy: 0.5964690693255866
Energy: 0.5934750822577111
Energy: 0.5942828339417665
Energy: 0.6052280102266773
Energy: 0.5961612229118274
Energy: 0.5947807640208724
Energy: 0.6146689672855757
Energy: 0.6044867715075583
Energy: 0.6019786166892628
Energy: 0.6033900548554978
Energy: 0.6059532406460509
Energy: 0.6012035973095528
Energy: 0.5954980622365753
Energy: 0.604628057134306
Energy: 0.6015167019198844
Energy: 0.5930390855412063
Energy: 0.6049703208598326
Energy: 0.6016018854537108
Energy: 0.5971057764606755
Energy: 0.5908160953175964
Energy: 0.5906316716006816
Energy: 0.5978455681259586
Energy: 0.5910368587030368
Energy: 0.5990021280595055
Energy: 0.6282894029853774
Energy: 0.5965395201615338
Energy: 0.5940120311398023
Energy: 0.6001372919443096
Energy: 0.5952819786632085
Energy: 0.5864260234911235

minimum gb energy = 0.5864260234911235 eV
minimum distance =  2.73366244075371 Angstroms
sigma value = 19


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

Energy: 0.6629656653833271
Energy: 0.6074672612967876
Energy: 0.6033699407685968
Energy: 0.6252524486884918
Energy: 0.6165077369406259
Energy: 0.6025905022899838
Energy: 0.6334941224890024
Energy: 0.6130265843382481
Energy: 0.6130508689018302
Energy: 0.6137363641067239
Energy: 0.6155070042797302
Energy: 0.6142277328504334
Energy: 0.6335272808931264
Energy: 0.6075223775006217
Energy: 0.6072846353192712
Energy: 0.6184889240994953
Energy: 0.6075998203770491
Energy: 0.607346893857354
Energy: 0.6339104972911384
Energy: 0.6076413235408252
Energy: 0.6079354644169909
Energy: 0.6152006465501543
Energy: 0.6170304586551664
Energy: 0.6080891479478873
Energy: 0.6479410784289648
Energy: 0.6185892468737467
Energy: 0.6103886747624342
Energy: 0.618254144065968
Energy: 0.6304237333241682
Energy: 0.6077390086570139
Energy: 0.6341695402007702
Energy: 0.6142865065142469
Energy: 0.6411163978195109
Energy: 0.6151105971920067
Energy: 0.6101635931504719
Energy: 0.6135753992953796
Energy: 0.6459961733422944
Energy: 0.605005552697495
Energy: 0.6176448087940253
Energy: 0.6314238239770916
Energy: 0.6045003516207716
Energy: 0.6193374995948937
Energy: 0.6342211553853326
Energy: 0.6049275820315513
Energy: 0.6141141154975998
Energy: 0.6127203857692447
Energy: 0.6059657883961315
Energy: 0.6133677639599389
Energy: 0.6388746018696165
Energy: 0.613894800230081
Energy: 0.6076067696219496
Energy: 0.6069200654187136
Energy: 0.6142246982252979
Energy: 0.6072288217376528
Energy: 0.6391670616262511
Energy: 0.62747383372188
Energy: 0.6284553435381063
Energy: 0.6073515276558447
Energy: 0.6273610480547037
Energy: 0.6241835720376416
Energy: 0.6336273634265042
Energy: 0.5932837406114051
Energy: 0.5931987688900735
Energy: 0.6304310760760701
Energy: 0.593269866701664
Energy: 0.5942900793375813
Energy: 0.6276861173147119
Energy: 0.6397923805011329
Energy: 0.5893101646160295
Energy: 0.6019712477644551
Energy: 0.6307102494492295
Energy: 0.5893450731111047
Energy: 0.649454897787695
Energy: 0.6259587180366908
Energy: 0.6198841953228603
Energy: 0.6042200808685483
Energy: 0.6260100368252723
Energy: 0.6180797846157283
Energy: 0.6497198473490557
Energy: 0.6268231272446614
Energy: 0.6181071061039224
Energy: 0.5887009742016576
Energy: 0.6251498580972518
Energy: 0.6233127568562119
Energy: 0.6275419277436496
Energy: 0.5906298991065179
Energy: 0.5899122462211653
Energy: 0.6022474823845453
Energy: 0.5901618371027862
Energy: 0.5892547962298113
Energy: 0.6279410489774253
Energy: 0.622695042514288
Energy: 0.5892427442919719
Energy: 0.6030933656519615
Energy: 0.5891161705892574
Energy: 0.5921090729182498
Energy: 0.6401782452382658
Energy: 0.6272772091021549
Energy: 0.6202056053692743
Energy: 0.6126014668505335
Energy: 0.6282787323760537
Energy: 0.6207560778758562
Energy: 0.6414357518778282
Energy: 0.5982581235699332
Energy: 0.5975902111533659
Energy: 0.6286084717025666
Energy: 0.6028334932440222
Energy: 0.5919204568854861
Energy: 0.6413934417581652
Energy: 0.6075675472723221
Energy: 0.5925723761389758
Energy: 0.6204712120960342
Energy: 0.6078819867410225
Energy: 0.6057236560690642
Energy: 0.6289649875246047
Energy: 0.6038537754514085
Energy: 0.593272793602945
Energy: 0.6089802716642769
Energy: 0.6225246147341504
Energy: 0.605790767318334
Energy: 0.6288700064641436
Energy: 0.5974833419103213
Energy: 0.5919672684800606
Energy: 0.615053040807441
Energy: 0.6028745434521043
Energy: 0.5891559342114135
Energy: 0.6270316030511907
Energy: 0.5932123039308498
Energy: 0.5893189653233621
Energy: 0.5894172973480315
Energy: 0.6032901457256388
Energy: 0.5890611066257432
Energy: 0.6389606929027666
Energy: 0.6192141430890071
Energy: 0.6191541069380249
Energy: 0.6371908483803465
Energy: 0.6248360470210511
Energy: 0.6165007793770203
Energy: 0.6422774961862721
Energy: 0.5850787813714832
Energy: 0.602085618014898
Energy: 0.6343730806785576
Energy: 0.5845865127336307
Energy: 0.6022555529494921
Energy: 0.6495562843356117
Energy: 0.5940275597747272
Energy: 0.5940865287143334
Energy: 0.6056294036593836
Energy: 0.6024813719316194
Energy: 0.5890620280012238
Energy: 0.6471937730579957
Energy: 0.6074721189991116
Energy: 0.6078734813359632
Energy: 0.6134093143176542
Energy: 0.6155701734187173
Energy: 0.6077675692156721
Energy: 0.6337759231885262
Energy: 0.60811279458945
Energy: 0.6077915771832532
Energy: 0.6177848117155851
Energy: 0.6069741325818457
Energy: 0.6248799324628314
Energy: 0.6333775866448893
Energy: 0.6075067444968864
Energy: 0.6075352264627256
Energy: 0.6141606067501437
Energy: 0.606950619484747
Energy: 0.6134618899970007
Energy: 0.6619033155469685
Energy: 0.6545067356714792
Energy: 0.6538690863324138
Energy: 0.616272501350998
Energy: 0.6560500264227364
Energy: 0.6150183944408197

minimum gb energy = 0.5845865127336307 eV
minimum distance =  2.68526928506461 Angstroms
sigma value = 101


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

Energy: 0.9294904140127506
Energy: 0.5883988593634771
Energy: 0.6121589707256937
Energy: 0.5705252039779376
Energy: 0.5931850584347199
Energy: 0.5701451919233952
Energy: 0.6273124618610173
Energy: 0.5913462496773266
Energy: 0.5912712287703905
Energy: 0.6303755323570278
Energy: 0.5980518717874628
Energy: 0.6044553079655817
Energy: 0.6289321344611207
Energy: 0.5876362964329155
Energy: 0.5875818479672198
Energy: 0.5920164381383365
Energy: 0.6040805199266797
Energy: 0.5901033465849044
Energy: 0.6260829689933296
Energy: 0.6050794076480522
Energy: 0.6119115762271725
Energy: 0.5990556266001282
Energy: 0.5982689106519432
Energy: 0.6125317641683121
Energy: 0.616043570080909
Energy: 0.5917492675209821
Energy: 0.5903579978234761
Energy: 0.6106907637608545
Energy: 0.6176450420182454
Energy: 0.6072581511600119
Energy: 0.6167339822911974
Energy: 0.6153272450082348
Energy: 0.6253936837339393
Energy: 0.615525430893539
Energy: 0.6263711874725421
Energy: 0.625987899843619
Energy: 0.6327232128185191
Energy: 0.590902384984804
Energy: 0.590430725532991
Energy: 0.6211287392631336
Energy: 0.6013731785929762
Energy: 0.589891701046339
Energy: 0.626611146313887
Energy: 0.6024521745044119
Energy: 0.6024512785390878
Energy: 0.6144998192609225
Energy: 0.6187082899232811
Energy: 0.6130052542587255
Energy: 0.6068357132803369
Energy: 0.5879593821401027
Energy: 0.5903202031876762
Energy: 0.6029209575562544
Energy: 0.5879236209079183
Energy: 0.6034671514099371
Energy: 0.6172232956926413
Energy: 0.6049942341829287
Energy: 0.6057414610470077
Energy: 0.6020317757510544
Energy: 0.6215416663109218
Energy: 0.6028779545063674
Energy: 0.6274807805632789
Energy: 0.5658497121488444
Energy: 0.5657605582301807
Energy: 0.6196198027919602
Energy: 0.5664645625265501
Energy: 0.583351725716032
Energy: 0.6278543817587531
Energy: 0.6026165823636076
Energy: 0.6026944496816484
Energy: 0.6029183309831178
Energy: 0.603854719798536
Energy: 0.6056366087547079
Energy: 0.6148162680867287
Energy: 0.5883935010837046
Energy: 0.5887699936992467
Energy: 0.600159733935279
Energy: 0.5880744959637889
Energy: 0.5924603268992302
Energy: 0.6237538159656167
Energy: 0.5933167443688372
Energy: 0.5902830453257196
Energy: 0.5997381523166009
Energy: 0.5934241761495574
Energy: 0.6033477891063109
Energy: 0.6266308927357956
Energy: 0.602990976446719
Energy: 0.6029600602531794
Energy: 0.5928176180501649
Energy: 0.6029507685691561
Energy: 0.6039379241210543
Energy: 0.6270855093974822
Energy: 0.6069898381578039
Energy: 0.6044999040258628
Energy: 0.5879741983255359
Energy: 0.6187484852224772
Energy: 0.6129598736005308
Energy: 0.6090334043414753
Energy: 0.6565711836601185
Energy: 0.6107100464005845
Energy: 0.5893593951899316
Energy: 0.6582356435567321
Energy: 0.5664356205574578
Energy: 0.6597363596452316
Energy: 0.5908996929664784
Energy: 0.5913261510907198
Energy: 0.607350139825487
Energy: 0.6240181146079474
Energy: 0.6116634317171332
Energy: 0.6272124446853892
Energy: 0.6028210181307595
Energy: 0.5873996259889668
Energy: 0.5879347707601816
Energy: 0.6031535044430626
Energy: 0.5900633813915738
Energy: 0.6240680163983486
Energy: 0.6025974513697925
Energy: 0.5887613581215577
Energy: 0.5911274071253866
Energy: 0.6035879587473016
Energy: 0.5919220790530257
Energy: 0.6179268405973569
Energy: 0.5910705040736365
Energy: 0.5913088802362864
Energy: 0.609845011510339
Energy: 0.5908343528359108
Energy: 0.6077714747705854
Energy: 0.6286241239641406
Energy: 0.5909997467200577
Energy: 0.5901987650178322
Energy: 0.6288623088614088
Energy: 0.5882985251902056
Energy: 0.6046192620129068
Energy: 0.6232671510807971
Energy: 0.6010823488503722
Energy: 0.5892978041522159
Energy: 0.6153790373603972
Energy: 0.6001941784906688
Energy: 0.5895411728704003
Energy: 0.629837383276117
Energy: 0.6090348892992073
Energy: 0.6089620205226465
Energy: 0.6154489315447907
Energy: 0.6013795289674254
Energy: 0.6122564682529075
Energy: 0.6152918114284385
Energy: 0.5906301959645656
Energy: 0.5898916869803852
Energy: 0.6066091375063011
Energy: 0.5877943568845909
Energy: 0.6021914396181588
Energy: 0.6070728133160526
Energy: 0.593370516206961
Energy: 0.5923382646677111
Energy: 0.6030802622694599
Energy: 0.5931494579642976
Energy: 0.6032416002612176
Energy: 0.6282771465374409
Energy: 0.5993367170884832
Energy: 0.5663615013371261
Energy: 0.5912300451341438
Energy: 0.5955856595510292
Energy: 0.5664723964988422
Energy: 0.6277304061883745
Energy: 0.5943211751736356
Energy: 0.5952364650789296
Energy: 0.5935045003323915
Energy: 0.5938607342049984
Energy: 0.5906225174483188
Energy: 0.6139362356201222
Energy: 0.6057700862051607
Energy: 0.5924735524030489
Energy: 0.5993761802191505
Energy: 0.604212002144159
Energy: 0.5908786061987048
Energy: 0.6169256102506808
Energy: 0.598296116316527
Energy: 0.5994667043662657
Energy: 0.5998158900518
Energy: 0.591348658500379
Energy: 0.5914562982647148
Energy: 0.6276777819184867
Energy: 0.603427312287324
Energy: 0.6030010752235367
Energy: 0.5933606097767602
Energy: 0.6022742755292063
Energy: 0.6082552696396569
Energy: 0.6268824192931329
Energy: 0.6030537523056759
Energy: 0.602448647491798
Energy: 0.5879006271473897
Energy: 0.6061759564325221
Energy: 0.5884831410881368
Energy: 0.6103374883717846
Energy: 0.6040019761911426
Energy: 0.5953886390404627
Energy: 0.5890807084375553
Energy: 0.6036124274837866
Energy: 0.5958144330425422

minimum gb energy = 0.5657605582301807 eV
minimum distance =  2.67393741406857 Angstroms
sigma value = 33


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

Energy: 0.009715273013635036
Energy: 0.5490170877529827
Energy: 0.010075949748309084
Energy: 0.010838381605274146
Energy: 0.5501154179865321
Energy: 0.010158760681985204
Energy: 0.2929950297938325
Energy: 0.07122700868488607
Energy: 0.07075314907237124
Energy: 0.07241289820656865
Energy: 0.07257015348223855
Energy: 0.07044299724788819
Energy: 0.7715095292800973
Energy: 0.5485973538073358
Energy: 0.5477772142930869
Energy: 0.5511518592435116
Energy: 0.5504861240497595
Energy: 0.5475988280074698
Energy: 0.2929950297935053
Energy: 0.07122700868421238
Energy: 0.07075314907304493
Energy: 0.07241289820656865
Energy: 0.07257015348258503
Energy: 0.07044299724754172

minimum gb energy = 0.009715273013635036 eV
minimum distance =  2.85657648468115 Angstroms
sigma value = 1